data_26765
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR backbone 1H, 13C and 15N chemical shift assignments of human S-phase kinase-associated protein 1 (Skp1)
;
_BMRB_accession_number 26765
_BMRB_flat_file_name bmr26765.str
_Entry_type original
_Submission_date 2016-03-22
_Accession_date 2016-03-22
_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 Kachariya 'Nitin Nathubhai' N. .
2 Kumar Ashutosh . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 710
"13C chemical shifts" 583
"15N chemical shifts" 137
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-03-02 original BMRB .
stop_
_Original_release_date 2016-03-22
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Backbone and side chain assignments of human cell cycle regulatory protein S-phase kinase-associated protein 1
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27394725
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kachariya Nitin N. .
2 Dantu Sarath C. .
3 Kumar Ashutosh . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 10
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 351
_Page_last 355
_Year 2016
_Details .
loop_
_Keyword
'Chemical shifts'
'E3 ligase'
SCF
'Secondary structure'
Ubiquitination
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Skp1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Skp1 $Skp1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
loop_
_Biological_function
;
Skp1 is an adaptor protein in the Skp1-Cullin1-F-box (SCF) RING E3 ligase.
SCF E3 ligase is involved in the polyubiquitination of protein molecules
involved in various cellular processes.
;
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Skp1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Skp1
_Molecular_mass 19289
_Mol_thiol_state 'all free'
loop_
_Biological_function
;
Skp1 is an adaptor protein in the Skp1-Cullin1-F-box (SCF) RING E3 ligase.
SCF E3 ligase is involved in the polyubiquitination of protein molecules
involved in various cellular processes.
;
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 168
_Mol_residue_sequence
;
GPLGSMPSIKLQSSDGEIFE
VDVEIAKQSVTIKTMLEDLG
MDDEGDDDPVPLPNVNAAIL
KKVIQWCTHHKDDPPPPEDD
ENKEKRTDDIPVWDQEFLKV
DQGTLFELILAANYLDIKGL
LDVTCKTVANMIKGKTPEEI
RKTFNIKNDFTEEEEAQVRK
ENQWCEEK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -5 GLY 2 -4 PRO 3 -3 LEU 4 -2 GLY 5 -1 SER
6 1 MET 7 2 PRO 8 3 SER 9 4 ILE 10 5 LYS
11 6 LEU 12 7 GLN 13 8 SER 14 9 SER 15 10 ASP
16 11 GLY 17 12 GLU 18 13 ILE 19 14 PHE 20 15 GLU
21 16 VAL 22 17 ASP 23 18 VAL 24 19 GLU 25 20 ILE
26 21 ALA 27 22 LYS 28 23 GLN 29 24 SER 30 25 VAL
31 26 THR 32 27 ILE 33 28 LYS 34 29 THR 35 30 MET
36 31 LEU 37 32 GLU 38 33 ASP 39 34 LEU 40 35 GLY
41 36 MET 42 37 ASP 43 38 ASP 44 39 GLU 45 40 GLY
46 41 ASP 47 42 ASP 48 43 ASP 49 44 PRO 50 45 VAL
51 46 PRO 52 47 LEU 53 48 PRO 54 49 ASN 55 50 VAL
56 51 ASN 57 52 ALA 58 53 ALA 59 54 ILE 60 55 LEU
61 56 LYS 62 57 LYS 63 58 VAL 64 59 ILE 65 60 GLN
66 61 TRP 67 62 CYS 68 63 THR 69 64 HIS 70 65 HIS
71 66 LYS 72 67 ASP 73 68 ASP 74 69 PRO 75 70 PRO
76 71 PRO 77 72 PRO 78 73 GLU 79 74 ASP 80 75 ASP
81 76 GLU 82 77 ASN 83 78 LYS 84 79 GLU 85 80 LYS
86 81 ARG 87 82 THR 88 83 ASP 89 84 ASP 90 85 ILE
91 86 PRO 92 87 VAL 93 88 TRP 94 89 ASP 95 90 GLN
96 91 GLU 97 92 PHE 98 93 LEU 99 94 LYS 100 95 VAL
101 96 ASP 102 97 GLN 103 98 GLY 104 99 THR 105 100 LEU
106 101 PHE 107 102 GLU 108 103 LEU 109 104 ILE 110 105 LEU
111 106 ALA 112 107 ALA 113 108 ASN 114 109 TYR 115 110 LEU
116 111 ASP 117 112 ILE 118 113 LYS 119 114 GLY 120 115 LEU
121 116 LEU 122 117 ASP 123 118 VAL 124 119 THR 125 120 CYS
126 121 LYS 127 122 THR 128 123 VAL 129 124 ALA 130 125 ASN
131 126 MET 132 127 ILE 133 128 LYS 134 129 GLY 135 130 LYS
136 131 THR 137 132 PRO 138 133 GLU 139 134 GLU 140 135 ILE
141 136 ARG 142 137 LYS 143 138 THR 144 139 PHE 145 140 ASN
146 141 ILE 147 142 LYS 148 143 ASN 149 144 ASP 150 145 PHE
151 146 THR 152 147 GLU 153 148 GLU 154 149 GLU 155 150 GLU
156 151 ALA 157 152 GLN 158 153 VAL 159 154 ARG 160 155 LYS
161 156 GLU 162 157 ASN 163 158 GLN 164 159 TRP 165 160 CYS
166 161 GLU 167 162 GLU 168 163 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
NCBI NP_733779.1 Skp1 . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Skp1 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
$Skp1 'recombinant technology' . Escherichia coli 'BL21 DE3' pGEX-6P-1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Skp1_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Skp1 0.7 mM [U-15N]
$Skp1 1.2 mM '[U-13C; U-15N]'
'Sodium Phosphate' 25 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
'Beta mercaptoethanol' 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CcpNmr_Analysis
_Saveframe_category software
_Name CcpNmr_Analysis
_Version 2.4.1
loop_
_Vendor
_Address
_Electronic_address
CCPN
;
The Secretary to CCPN
Department of Biochemistry
University of Cambridge
80 Tennis Court Road
Old Addenbrooke's Site
Cambridge CB2 1GA
United Kingdom
;
ccpnmr@jiscmail.ac.uk
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 3.2
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' 'Industriestrasse 26, 8117 F llanden, Switzerland' .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version TALOS+
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . bax@nih.gov
stop_
loop_
_Task
'Secondary structure prediction'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Ascend
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $Skp1_sample
save_
save_3D_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $Skp1_sample
save_
save_3D_HN(CA)CO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $Skp1_sample
save_
save_3D_HN(CO)CACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_Sample_label $Skp1_sample
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $Skp1_sample
save_
save_3D_H(CCO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $Skp1_sample
save_
save_3D_CC(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CC(CO)NH'
_Sample_label $Skp1_sample
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $Skp1_sample
save_
save_3D_TOCSY-HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D TOCSY-HSQC'
_Sample_label $Skp1_sample
save_
#######################
# Sample conditions #
#######################
save_Skp1_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 6.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 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_
_Software_label
$CcpNmr_Analysis
$TOPSPIN
$TALOS
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCO'
'3D HN(CA)CO'
'3D HN(CO)CACB'
'3D HNCACB'
'3D H(CCO)NH'
'3D CC(CO)NH'
'3D 1H-15N NOESY'
'3D TOCSY-HSQC'
stop_
loop_
_Sample_label
$Skp1_sample
stop_
_Sample_conditions_label $Skp1_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Skp1
_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 2 7 PRO HA H 4.411 0.020 1
2 2 7 PRO HB2 H 2.234 0.020 2
3 2 7 PRO HB3 H 1.913 0.020 2
4 2 7 PRO HG2 H 1.438 0.020 1
5 2 7 PRO HG3 H 1.438 0.020 1
6 2 7 PRO HD2 H 3.086 0.020 1
7 2 7 PRO HD3 H 3.086 0.020 1
8 2 7 PRO C C 176.389 0.3 1
9 2 7 PRO CA C 63.776 0.3 1
10 2 7 PRO CB C 31.987 0.3 1
11 2 7 PRO CG C 24.727 0.3 1
12 2 7 PRO CD C 46.811 0.3 1
13 3 8 SER H H 7.970 0.020 1
14 3 8 SER HA H 3.629 0.020 1
15 3 8 SER C C 172.440 0.3 1
16 3 8 SER CA C 56.909 0.3 1
17 3 8 SER CB C 65.733 0.3 1
18 3 8 SER N N 115.134 0.3 1
19 4 9 ILE H H 8.871 0.020 1
20 4 9 ILE HA H 4.397 0.020 1
21 4 9 ILE HB H 2.248 0.020 1
22 4 9 ILE HG12 H 1.885 0.020 1
23 4 9 ILE HG13 H 1.885 0.020 1
24 4 9 ILE HG2 H 0.784 0.020 1
25 4 9 ILE HD1 H 0.784 0.020 1
26 4 9 ILE C C 173.515 0.3 1
27 4 9 ILE CA C 58.546 0.3 1
28 4 9 ILE CB C 41.387 0.3 1
29 4 9 ILE CG1 C 32.350 0.3 1
30 4 9 ILE CG2 C 27.045 0.3 1
31 4 9 ILE CD1 C 17.823 0.3 1
32 4 9 ILE N N 118.493 0.3 1
33 5 10 LYS H H 8.517 0.020 1
34 5 10 LYS HA H 5.137 0.020 1
35 5 10 LYS C C 174.984 0.3 1
36 5 10 LYS CA C 54.967 0.3 1
37 5 10 LYS CB C 33.710 0.3 1
38 5 10 LYS CG C 22.455 0.3 1
39 5 10 LYS CD C 25.599 0.3 1
40 5 10 LYS N N 123.322 0.3 1
41 6 11 LEU H H 9.064 0.020 1
42 6 11 LEU HA H 4.132 0.020 1
43 6 11 LEU HB2 H 2.624 0.020 2
44 6 11 LEU HB3 H 2.136 0.020 2
45 6 11 LEU HG H 1.745 0.020 1
46 6 11 LEU HD1 H 0.768 0.020 1
47 6 11 LEU HD2 H 0.768 0.020 1
48 6 11 LEU C C 175.080 0.3 1
49 6 11 LEU CA C 52.547 0.3 1
50 6 11 LEU CB C 44.830 0.3 1
51 6 11 LEU CG C 33.885 0.3 1
52 6 11 LEU CD1 C 25.719 0.3 1
53 6 11 LEU CD2 C 25.719 0.3 1
54 6 11 LEU N N 122.279 0.3 1
55 7 12 GLN H H 8.712 0.020 1
56 7 12 GLN HA H 4.146 0.020 1
57 7 12 GLN HB2 H 1.843 0.020 1
58 7 12 GLN HB3 H 1.843 0.020 1
59 7 12 GLN HG2 H 2.610 0.020 2
60 7 12 GLN HG3 H 2.624 0.020 2
61 7 12 GLN C C 174.775 0.3 1
62 7 12 GLN CA C 53.175 0.3 1
63 7 12 GLN CB C 32.454 0.3 1
64 7 12 GLN CG C 33.535 0.3 1
65 7 12 GLN N N 123.338 0.3 1
66 8 13 SER H H 9.230 0.020 1
67 8 13 SER HA H 4.492 0.020 1
68 8 13 SER C C 176.826 0.3 1
69 8 13 SER CA C 58.830 0.3 1
70 8 13 SER CB C 65.217 0.3 1
71 8 13 SER N N 121.325 0.3 1
72 9 14 SER H H 9.463 0.020 1
73 9 14 SER HA H 3.741 0.020 1
74 9 14 SER C C 175.134 0.3 1
75 9 14 SER CA C 61.305 0.3 1
76 9 14 SER CB C 62.605 0.3 1
77 9 14 SER N N 120.013 0.3 1
78 10 15 ASP H H 8.866 0.020 1
79 10 15 ASP HA H 4.60 0.020 1
80 10 15 ASP HB2 H 2.722 0.020 1
81 10 15 ASP HB3 H 2.722 0.020 1
82 10 15 ASP C C 176.700 0.3 1
83 10 15 ASP CA C 52.036 0.3 1
84 10 15 ASP CB C 38.044 0.3 1
85 10 15 ASP N N 115.801 0.3 1
86 11 16 GLY H H 7.898 0.020 1
87 11 16 GLY HA2 H 4.160 0.020 2
88 11 16 GLY HA3 H 3.476 0.020 2
89 11 16 GLY C C 174.173 0.3 1
90 11 16 GLY CA C 46.413 0.3 1
91 11 16 GLY N N 107.600 0.3 1
92 12 17 GLU H H 7.566 0.020 1
93 12 17 GLU HA H 3.783 0.020 1
94 12 17 GLU C C 174.809 0.3 1
95 12 17 GLU CA C 56.499 0.3 1
96 12 17 GLU CB C 30.263 0.3 1
97 12 17 GLU CG C 36.005 0.3 1
98 12 17 GLU N N 122.163 0.3 1
99 13 18 ILE H H 8.236 0.020 1
100 13 18 ILE HA H 4.230 0.020 1
101 13 18 ILE HB H 2.150 0.020 1
102 13 18 ILE HG12 H 1.787 0.020 2
103 13 18 ILE HG13 H 1.619 0.020 2
104 13 18 ILE HG2 H 0.656 0.020 1
105 13 18 ILE HD1 H 0.656 0.020 1
106 13 18 ILE C C 175.839 0.3 1
107 13 18 ILE CA C 59.613 0.3 1
108 13 18 ILE CB C 38.427 0.3 1
109 13 18 ILE CG1 C 27.920 0.3 1
110 13 18 ILE CG2 C 17.664 0.3 1
111 13 18 ILE CD1 C 12.859 0.3 1
112 13 18 ILE N N 123.224 0.3 1
113 14 19 PHE H H 9.352 0.020 1
114 14 19 PHE HA H 4.537 0.020 1
115 14 19 PHE HB2 H 2.792 0.020 2
116 14 19 PHE HB3 H 2.569 0.020 2
117 14 19 PHE C C 174.107 0.3 1
118 14 19 PHE CA C 56.371 0.3 1
119 14 19 PHE CB C 42.009 0.3 1
120 14 19 PHE N N 127.510 0.3 1
121 15 20 GLU H H 8.757 0.020 1
122 15 20 GLU HA H 4.976 0.020 1
123 15 20 GLU HB2 H 1.949 0.020 2
124 15 20 GLU HB3 H 1.904 0.020 2
125 15 20 GLU C C 175.883 0.3 1
126 15 20 GLU CA C 55.945 0.3 1
127 15 20 GLU CB C 30.491 0.3 1
128 15 20 GLU CG C 36.679 0.3 1
129 15 20 GLU N N 124.440 0.3 1
130 16 21 VAL H H 9.084 0.020 1
131 16 21 VAL HA H 4.085 0.020 1
132 16 21 VAL HB H 1.896 0.020 1
133 16 21 VAL HG1 H 0.854 0.020 1
134 16 21 VAL HG2 H 0.854 0.020 1
135 16 21 VAL C C 173.800 0.3 1
136 16 21 VAL CA C 59.563 0.3 1
137 16 21 VAL CB C 35.562 0.3 1
138 16 21 VAL CG1 C 21.601 0.3 1
139 16 21 VAL CG2 C 20.808 0.3 1
140 16 21 VAL N N 123.188 0.3 1
141 17 22 ASP H H 8.354 0.020 1
142 17 22 ASP HA H 4.544 0.020 1
143 17 22 ASP HB2 H 2.619 0.020 1
144 17 22 ASP HB3 H 2.619 0.020 1
145 17 22 ASP C C 178.274 0.3 1
146 17 22 ASP CA C 54.726 0.3 1
147 17 22 ASP CB C 41.952 0.3 1
148 17 22 ASP N N 125.176 0.3 1
149 18 23 VAL H H 8.508 0.020 1
150 18 23 VAL HA H 3.564 0.020 1
151 18 23 VAL HB H 1.922 0.020 1
152 18 23 VAL HG1 H 0.880 0.020 1
153 18 23 VAL HG2 H 0.880 0.020 1
154 18 23 VAL C C 176.410 0.3 1
155 18 23 VAL CA C 66.393 0.3 1
156 18 23 VAL CB C 31.668 0.3 1
157 18 23 VAL CG1 C 21.182 0.3 1
158 18 23 VAL CG2 C 21.182 0.3 1
159 18 23 VAL N N 125.454 0.3 1
160 19 24 GLU H H 8.674 0.020 1
161 19 24 GLU HA H 3.970 0.020 1
162 19 24 GLU HB2 H 1.922 0.020 1
163 19 24 GLU HB3 H 1.922 0.020 1
164 19 24 GLU HG2 H 2.205 0.020 1
165 19 24 GLU HG3 H 2.205 0.020 1
166 19 24 GLU C C 179.131 0.3 1
167 19 24 GLU CA C 58.691 0.3 1
168 19 24 GLU CB C 28.787 0.3 1
169 19 24 GLU CG C 36.305 0.3 1
170 19 24 GLU N N 118.151 0.3 1
171 20 25 ILE H H 7.399 0.020 1
172 20 25 ILE HA H 3.705 0.020 1
173 20 25 ILE HB H 2.001 0.020 1
174 20 25 ILE HG12 H 1.181 0.020 1
175 20 25 ILE HG13 H 1.181 0.020 1
176 20 25 ILE HG2 H 0.677 0.020 1
177 20 25 ILE HD1 H 0.677 0.020 1
178 20 25 ILE C C 176.936 0.3 1
179 20 25 ILE CA C 63.904 0.3 1
180 20 25 ILE CB C 37.157 0.3 1
181 20 25 ILE CG1 C 33.011 0.3 1
182 20 25 ILE CG2 C 29.043 0.3 1
183 20 25 ILE CD1 C 24.551 0.3 1
184 20 25 ILE N N 119.150 0.3 1
185 21 26 ALA H H 7.707 0.020 1
186 21 26 ALA HA H 3.740 0.020 1
187 21 26 ALA HB H 1.278 0.020 1
188 21 26 ALA C C 177.989 0.3 1
189 21 26 ALA CA C 54.903 0.3 1
190 21 26 ALA CB C 18.263 0.3 1
191 21 26 ALA N N 120.734 0.3 1
192 22 27 LYS H H 7.784 0.020 1
193 22 27 LYS HA H 3.793 0.020 1
194 22 27 LYS HB2 H 1.887 0.020 1
195 22 27 LYS HB3 H 1.887 0.020 1
196 22 27 LYS HG2 H 1.092 0.020 1
197 22 27 LYS HG3 H 1.092 0.020 1
198 22 27 LYS HD2 H 1.666 0.020 1
199 22 27 LYS HD3 H 1.666 0.020 1
200 22 27 LYS C C 176.103 0.3 1
201 22 27 LYS CA C 58.722 0.3 1
202 22 27 LYS CB C 32.181 0.3 1
203 22 27 LYS CG C 26.836 0.3 1
204 22 27 LYS CD C 26.836 0.3 1
205 22 27 LYS N N 111.104 0.3 1
206 23 28 GLN H H 7.393 0.020 1
207 23 28 GLN HA H 4.067 0.020 1
208 23 28 GLN HB2 H 1.957 0.020 1
209 23 28 GLN HG2 H 2.399 0.020 1
210 23 28 GLN HG3 H 2.399 0.020 1
211 23 28 GLN C C 176.585 0.3 1
212 23 28 GLN CA C 58.315 0.3 1
213 23 28 GLN CB C 29.961 0.3 1
214 23 28 GLN CG C 34.882 0.3 1
215 23 28 GLN N N 116.964 0.3 1
216 24 29 SER H H 7.574 0.020 1
217 24 29 SER HA H 4.120 0.020 1
218 24 29 SER HB2 H 2.178 0.020 2
219 24 29 SER HB3 H 1.922 0.020 2
220 24 29 SER C C 174.085 0.3 1
221 24 29 SER CA C 55.195 0.3 1
222 24 29 SER CB C 62.884 0.3 1
223 24 29 SER N N 110.649 0.3 1
224 25 30 VAL H H 8.246 0.020 1
225 25 30 VAL HA H 3.687 0.020 1
226 25 30 VAL HB H 1.887 0.020 1
227 25 30 VAL HG1 H 1.066 0.020 1
228 25 30 VAL HG2 H 1.066 0.020 1
229 25 30 VAL C C 178.559 0.3 1
230 25 30 VAL CA C 66.725 0.3 1
231 25 30 VAL CB C 31.015 0.3 1
232 25 30 VAL N N 131.237 0.3 1
233 26 31 THR H H 7.372 0.020 1
234 26 31 THR HA H 4.049 0.020 1
235 26 31 THR HB H 4.049 0.020 1
236 26 31 THR C C 175.576 0.3 1
237 26 31 THR CA C 66.108 0.3 1
238 26 31 THR CB C 69.358 0.3 1
239 26 31 THR N N 116.738 0.3 1
240 28 33 LYS HA H 4.367 0.020 1
241 28 33 LYS HB2 H 1.693 0.020 1
242 28 33 LYS HB3 H 1.693 0.020 1
243 28 33 LYS HG2 H 1.587 0.020 1
244 28 33 LYS HG3 H 1.587 0.020 1
245 28 33 LYS HD2 H 1.769 0.020 1
246 28 33 LYS HD3 H 1.769 0.020 1
247 28 33 LYS HE2 H 3.112 0.020 1
248 28 33 LYS HE3 H 3.112 0.020 1
249 28 33 LYS CA C 61.010 0.3 1
250 28 33 LYS CB C 32.694 0.3 1
251 28 33 LYS CG C 27.047 0.3 1
252 28 33 LYS CD C 31.165 0.3 1
253 28 33 LYS CE C 43.218 0.3 1
254 29 34 THR H H 8.306 0.020 1
255 29 34 THR HA H 4.252 0.020 1
256 29 34 THR HB H 3.699 0.020 1
257 29 34 THR HG2 H 1.182 0.020 1
258 29 34 THR C C 176.209 0.3 1
259 29 34 THR CA C 66.303 0.3 1
260 29 34 THR CB C 69.215 0.3 1
261 29 34 THR CG2 C 21.332 0.3 1
262 29 34 THR N N 114.071 0.3 1
263 30 35 MET H H 7.712 0.020 1
264 30 35 MET HA H 4.105 0.020 1
265 30 35 MET HB2 H 1.916 0.020 1
266 30 35 MET HB3 H 1.916 0.020 1
267 30 35 MET HG2 H 2.119 0.020 1
268 30 35 MET HG3 H 2.119 0.020 1
269 30 35 MET C C 178.778 0.3 1
270 30 35 MET CA C 59.563 0.3 1
271 30 35 MET CB C 32.817 0.3 1
272 30 35 MET CG C 29.907 0.3 1
273 30 35 MET N N 121.428 0.3 1
274 31 36 LEU H H 8.273 0.020 1
275 31 36 LEU HA H 4.049 0.020 1
276 31 36 LEU HB2 H 1.881 0.020 2
277 31 36 LEU HB3 H 1.322 0.020 2
278 31 36 LEU HG H 1.322 0.020 1
279 31 36 LEU HD1 H 0.748 0.020 1
280 31 36 LEU HD2 H 0.748 0.020 1
281 31 36 LEU C C 179.539 0.3 1
282 31 36 LEU CA C 57.454 0.3 1
283 31 36 LEU CB C 41.371 0.3 1
284 31 36 LEU CG C 25.510 0.3 1
285 31 36 LEU CD1 C 22.857 0.3 1
286 31 36 LEU CD2 C 22.857 0.3 1
287 31 36 LEU N N 117.563 0.3 1
288 32 37 GLU H H 7.795 0.020 1
289 32 37 GLU HA H 4.014 0.020 1
290 32 37 GLU HB2 H 2.084 0.020 1
291 32 37 GLU HB3 H 2.084 0.020 1
292 32 37 GLU HG2 H 2.776 0.020 1
293 32 37 GLU HG3 H 2.776 0.020 1
294 32 37 GLU C C 178.340 0.3 1
295 32 37 GLU CA C 58.481 0.3 1
296 32 37 GLU CB C 29.144 0.3 1
297 32 37 GLU CG C 36.604 0.3 1
298 32 37 GLU N N 118.905 0.3 1
299 33 38 ASP H H 7.919 0.020 1
300 33 38 ASP HA H 4.489 0.020 1
301 33 38 ASP HB2 H 2.664 0.020 1
302 33 38 ASP HB3 H 2.664 0.020 1
303 33 38 ASP C C 177.410 0.3 1
304 33 38 ASP CA C 55.558 0.3 1
305 33 38 ASP CB C 40.778 0.3 1
306 33 38 ASP N N 119.217 0.3 1
307 34 39 LEU H H 7.734 0.020 1
308 34 39 LEU HA H 4.224 0.020 1
309 34 39 LEU HB2 H 1.713 0.020 1
310 34 39 LEU HB3 H 1.713 0.020 1
311 34 39 LEU HG H 1.577 0.020 1
312 34 39 LEU HD1 H 0.832 0.020 1
313 34 39 LEU HD2 H 0.832 0.020 1
314 34 39 LEU C C 178.252 0.3 1
315 34 39 LEU CA C 55.870 0.3 1
316 34 39 LEU CB C 42.525 0.3 1
317 34 39 LEU CG C 23.204 0.3 1
318 34 39 LEU CD1 C 26.647 0.3 1
319 34 39 LEU CD2 C 25.300 0.3 1
320 34 39 LEU N N 120.148 0.3 1
321 35 40 GLY H H 8.061 0.020 1
322 35 40 GLY HA2 H 3.895 0.020 1
323 35 40 GLY HA3 H 3.895 0.020 1
324 35 40 GLY C C 174.567 0.3 1
325 35 40 GLY CA C 45.711 0.3 1
326 35 40 GLY N N 108.038 0.3 1
327 36 41 MET H H 8.096 0.020 1
328 36 41 MET HA H 4.147 0.020 1
329 36 41 MET HB2 H 1.309 0.020 1
330 36 41 MET HB3 H 1.309 0.020 1
331 36 41 MET HG2 H 1.732 0.020 1
332 36 41 MET HG3 H 1.732 0.020 1
333 36 41 MET HE H 1.301 0.020 1
334 36 41 MET C C 176.016 0.3 1
335 36 41 MET CA C 55.753 0.3 1
336 36 41 MET CB C 32.952 0.3 1
337 36 41 MET CG C 31.986 0.3 1
338 36 41 MET N N 118.953 0.3 1
339 37 42 ASP H H 8.364 0.020 1
340 37 42 ASP HA H 4.536 0.020 1
341 37 42 ASP HB2 H 2.608 0.020 1
342 37 42 ASP HB3 H 2.608 0.020 1
343 37 42 ASP C C 175.902 0.3 1
344 37 42 ASP CA C 54.109 0.3 1
345 37 42 ASP CB C 41.080 0.3 1
346 37 42 ASP N N 120.648 0.3 1
347 38 43 ASP H H 8.196 0.020 1
348 38 43 ASP HA H 4.133 0.020 1
349 38 43 ASP HB2 H 2.615 0.020 2
350 38 43 ASP HB3 H 2.177 0.020 2
351 38 43 ASP C C 176.262 0.3 1
352 38 43 ASP CA C 54.601 0.3 1
353 38 43 ASP CB C 41.020 0.3 1
354 38 43 ASP N N 120.089 0.3 1
355 39 44 GLU H H 8.271 0.020 1
356 39 44 GLU HA H 4.239 0.020 1
357 39 44 GLU HB2 H 1.951 0.020 1
358 39 44 GLU HB3 H 1.951 0.020 1
359 39 44 GLU HG2 H 2.149 0.020 1
360 39 44 GLU HG3 H 2.149 0.020 1
361 39 44 GLU C C 176.839 0.3 1
362 39 44 GLU CA C 56.691 0.3 1
363 39 44 GLU CB C 29.793 0.3 1
364 39 44 GLU CG C 36.005 0.3 1
365 39 44 GLU N N 119.512 0.3 1
366 40 45 GLY H H 8.209 0.020 1
367 40 45 GLY HA2 H 3.907 0.020 1
368 40 45 GLY HA3 H 3.907 0.020 1
369 40 45 GLY C C 173.712 0.3 1
370 40 45 GLY CA C 45.328 0.3 1
371 40 45 GLY N N 109.005 0.3 1
372 41 46 ASP H H 8.408 0.020 1
373 41 46 ASP HA H 4.444 0.020 1
374 41 46 ASP HB2 H 2.594 0.020 1
375 41 46 ASP HB3 H 2.594 0.020 1
376 41 46 ASP C C 175.615 0.3 1
377 41 46 ASP CA C 54.043 0.3 1
378 41 46 ASP CB C 41.046 0.3 1
379 41 46 ASP N N 120.089 0.3 1
380 42 47 ASP H H 8.408 0.020 1
381 42 47 ASP HA H 4.148 0.020 1
382 42 47 ASP HB2 H 2.608 0.020 1
383 42 47 ASP HB3 H 2.608 0.020 1
384 42 47 ASP C C 175.629 0.3 1
385 42 47 ASP CA C 54.025 0.3 1
386 42 47 ASP CB C 41.028 0.3 1
387 42 47 ASP N N 120.803 0.3 1
388 43 48 ASP H H 8.044 0.020 1
389 43 48 ASP HA H 4.073 0.020 1
390 43 48 ASP HB2 H 2.505 0.020 2
391 43 48 ASP HB3 H 2.026 0.020 2
392 43 48 ASP C C 174.184 0.3 1
393 43 48 ASP CA C 52.650 0.3 1
394 43 48 ASP CB C 40.055 0.3 1
395 43 48 ASP N N 121.252 0.3 1
396 44 49 PRO HA H 4.126 0.020 1
397 44 49 PRO HB2 H 2.234 0.020 1
398 44 49 PRO HB3 H 2.234 0.020 1
399 44 49 PRO HG2 H 1.881 0.020 1
400 44 49 PRO HG3 H 1.881 0.020 1
401 44 49 PRO C C 178.593 0.3 1
402 44 49 PRO CA C 65.577 0.3 1
403 44 49 PRO CB C 31.805 0.3 1
404 44 49 PRO CG C 27.920 0.3 1
405 44 49 PRO CD C 51.727 0.3 1
406 45 50 VAL H H 8.521 0.020 1
407 45 50 VAL HA H 3.942 0.020 1
408 45 50 VAL C C 178.340 0.3 1
409 45 50 VAL CA C 59.452 0.3 1
410 45 50 VAL CB C 29.180 0.3 1
411 45 50 VAL N N 117.484 0.3 1
412 46 51 PRO HA H 4.467 0.020 1
413 46 51 PRO HB2 H 2.160 0.020 2
414 46 51 PRO HB3 H 2.112 0.020 2
415 46 51 PRO HG2 H 1.797 0.020 1
416 46 51 PRO HG3 H 1.797 0.020 1
417 46 51 PRO C C 176.344 0.3 1
418 46 51 PRO CA C 62.244 0.3 1
419 46 51 PRO CB C 34.668 0.3 1
420 46 51 PRO CG C 24.812 0.3 1
421 47 52 LEU H H 8.632 0.020 1
422 47 52 LEU C C 177.726 0.3 1
423 47 52 LEU CA C 56.052 0.3 1
424 47 52 LEU CB C 42.009 0.3 1
425 47 52 LEU N N 123.269 0.3 1
426 48 53 PRO HA H 4.013 0.020 1
427 48 53 PRO HB2 H 2.184 0.020 1
428 48 53 PRO HB3 H 2.184 0.020 1
429 48 53 PRO HG2 H 1.782 0.020 1
430 48 53 PRO HG3 H 1.782 0.020 1
431 48 53 PRO C C 176.541 0.3 1
432 48 53 PRO CA C 64.043 0.3 1
433 48 53 PRO CB C 31.902 0.3 1
434 48 53 PRO CD C 53.319 0.3 1
435 49 54 ASN H H 6.850 0.020 1
436 49 54 ASN HA H 4.614 0.020 1
437 49 54 ASN HB2 H 2.347 0.020 2
438 49 54 ASN HB3 H 1.160 0.020 2
439 49 54 ASN C C 174.063 0.3 1
440 49 54 ASN CA C 52.451 0.3 1
441 49 54 ASN CB C 37.715 0.3 1
442 49 54 ASN N N 111.631 0.3 1
443 50 55 VAL H H 7.338 0.020 1
444 50 55 VAL HA H 4.063 0.020 1
445 50 55 VAL HB H 1.895 0.020 1
446 50 55 VAL HG1 H 0.850 0.020 1
447 50 55 VAL HG2 H 0.850 0.020 1
448 50 55 VAL C C 173.317 0.3 1
449 50 55 VAL CA C 60.840 0.3 1
450 50 55 VAL CB C 34.221 0.3 1
451 50 55 VAL CG1 C 21.741 0.3 1
452 50 55 VAL CG2 C 20.973 0.3 1
453 50 55 VAL N N 117.673 0.3 1
454 51 56 ASN H H 8.347 0.020 1
455 51 56 ASN HA H 4.875 0.020 1
456 51 56 ASN C C 175.225 0.3 1
457 51 56 ASN CA C 52.414 0.3 1
458 51 56 ASN CB C 38.626 0.3 1
459 51 56 ASN N N 125.575 0.3 1
460 52 57 ALA H H 9.829 0.020 1
461 52 57 ALA C C 178.734 0.3 1
462 52 57 ALA CA C 56.244 0.3 1
463 52 57 ALA CB C 19.220 0.3 1
464 52 57 ALA N N 122.756 0.3 1
465 53 58 ALA H H 8.466 0.020 1
466 53 58 ALA HA H 3.992 0.020 1
467 53 58 ALA HB H 1.312 0.020 1
468 53 58 ALA C C 180.996 0.3 1
469 53 58 ALA CA C 55.262 0.3 1
470 53 58 ALA CB C 17.644 0.3 1
471 53 58 ALA N N 120.667 0.3 1
472 54 59 ILE H H 8.085 0.020 1
473 54 59 ILE HA H 3.853 0.020 1
474 54 59 ILE HB H 2.010 0.020 1
475 54 59 ILE HG2 H 0.656 0.020 1
476 54 59 ILE HD1 H 0.656 0.020 1
477 54 59 ILE C C 178.162 0.3 1
478 54 59 ILE CA C 60.201 0.3 1
479 54 59 ILE CB C 34.859 0.3 1
480 54 59 ILE CG1 C 26.947 0.3 1
481 54 59 ILE CG2 C 18.188 0.3 1
482 54 59 ILE CD1 C 11.375 0.3 1
483 54 59 ILE N N 117.612 0.3 1
484 55 60 LEU H H 9.003 0.020 1
485 55 60 LEU HA H 3.662 0.020 1
486 55 60 LEU HB2 H 2.241 0.020 2
487 55 60 LEU HB3 H 1.857 0.020 2
488 55 60 LEU HG H 1.451 0.020 1
489 55 60 LEU HD1 H 1.124 0.020 1
490 55 60 LEU HD2 H 1.124 0.020 1
491 55 60 LEU C C 178.054 0.3 1
492 55 60 LEU CA C 57.839 0.3 1
493 55 60 LEU CB C 40.732 0.3 1
494 55 60 LEU CG C 29.837 0.3 1
495 55 60 LEU CD1 C 26.208 0.3 1
496 55 60 LEU CD2 C 26.208 0.3 1
497 55 60 LEU N N 123.650 0.3 1
498 56 61 LYS H H 8.402 0.020 1
499 56 61 LYS HA H 3.583 0.020 1
500 56 61 LYS HB2 H 1.835 0.020 1
501 56 61 LYS HB3 H 1.835 0.020 1
502 56 61 LYS HG2 H 1.327 0.020 1
503 56 61 LYS HG3 H 1.327 0.020 1
504 56 61 LYS C C 179.346 0.3 1
505 56 61 LYS CA C 60.397 0.3 1
506 56 61 LYS CB C 32.431 0.3 1
507 56 61 LYS CG C 25.579 0.3 1
508 56 61 LYS CD C 29.279 0.3 1
509 56 61 LYS N N 117.295 0.3 1
510 57 62 LYS H H 6.939 0.020 1
511 57 62 LYS HA H 4.444 0.020 1
512 57 62 LYS HB2 H 1.925 0.020 1
513 57 62 LYS HB3 H 1.925 0.020 1
514 57 62 LYS C C 178.603 0.3 1
515 57 62 LYS CA C 59.052 0.3 1
516 57 62 LYS CB C 32.415 0.3 1
517 57 62 LYS CG C 25.300 0.3 1
518 57 62 LYS CD C 25.450 0.3 1
519 57 62 LYS CE C 43.492 0.3 1
520 57 62 LYS N N 118.546 0.3 1
521 58 63 VAL H H 8.641 0.020 1
522 58 63 VAL HA H 3.459 0.020 1
523 58 63 VAL HB H 1.350 0.020 1
524 58 63 VAL HG1 H 0.729 0.020 1
525 58 63 VAL HG2 H 0.729 0.020 1
526 58 63 VAL C C 178.447 0.3 1
527 58 63 VAL CA C 67.542 0.3 1
528 58 63 VAL CB C 31.540 0.3 1
529 58 63 VAL CG1 C 22.754 0.3 1
530 58 63 VAL CG2 C 21.407 0.3 1
531 58 63 VAL N N 120.677 0.3 1
532 59 64 ILE H H 8.848 0.020 1
533 59 64 ILE HA H 4.177 0.020 1
534 59 64 ILE HB H 1.857 0.020 1
535 59 64 ILE HG12 H 1.124 0.020 1
536 59 64 ILE HG13 H 1.124 0.020 1
537 59 64 ILE HG2 H 0.833 0.020 1
538 59 64 ILE HD1 H 0.833 0.020 1
539 59 64 ILE C C 179.743 0.3 1
540 59 64 ILE CA C 66.074 0.3 1
541 59 64 ILE CB C 37.477 0.3 1
542 59 64 ILE CG1 C 30.840 0.3 1
543 59 64 ILE CG2 C 27.022 0.3 1
544 59 64 ILE CD1 C 21.407 0.3 1
545 59 64 ILE N N 119.924 0.3 1
546 60 65 GLN H H 8.373 0.020 1
547 60 65 GLN HA H 4.125 0.020 1
548 60 65 GLN HB2 H 2.082 0.020 2
549 60 65 GLN HB3 H 1.841 0.020 2
550 60 65 GLN HG2 H 2.631 0.020 1
551 60 65 GLN HG3 H 2.631 0.020 1
552 60 65 GLN C C 179.019 0.3 1
553 60 65 GLN CA C 59.882 0.3 1
554 60 65 GLN CB C 28.540 0.3 1
555 60 65 GLN CG C 33.984 0.3 1
556 60 65 GLN N N 124.058 0.3 1
557 61 66 TRP H H 8.686 0.020 1
558 61 66 TRP HA H 3.799 0.020 1
559 61 66 TRP C C 178.694 0.3 1
560 61 66 TRP CA C 63.955 0.3 1
561 61 66 TRP CB C 28.849 0.3 1
562 61 66 TRP N N 122.886 0.3 1
563 62 67 CYS H H 9.141 0.020 1
564 62 67 CYS HA H 4.124 0.020 1
565 62 67 CYS HB2 H 2.783 0.020 1
566 62 67 CYS HB3 H 2.783 0.020 1
567 62 67 CYS C C 177.293 0.3 1
568 62 67 CYS CA C 63.672 0.3 1
569 62 67 CYS CB C 27.977 0.3 1
570 62 67 CYS N N 116.984 0.3 1
571 63 68 THR H H 8.519 0.020 1
572 63 68 THR HA H 4.181 0.020 1
573 63 68 THR HB H 4.004 0.020 1
574 63 68 THR HG2 H 1.125 0.020 1
575 63 68 THR C C 175.910 0.3 1
576 63 68 THR CA C 67.132 0.3 1
577 63 68 THR CB C 68.390 0.3 1
578 63 68 THR CG2 C 20.359 0.3 1
579 63 68 THR N N 116.415 0.3 1
580 64 69 HIS H H 7.388 0.020 1
581 64 69 HIS HA H 4.509 0.020 1
582 64 69 HIS HB2 H 3.448 0.020 1
583 64 69 HIS HB3 H 3.448 0.020 1
584 64 69 HIS C C 175.734 0.3 1
585 64 69 HIS CA C 59.089 0.3 1
586 64 69 HIS CB C 27.796 0.3 1
587 64 69 HIS N N 119.874 0.3 1
588 65 70 HIS H H 7.175 0.020 1
589 65 70 HIS HA H 3.776 0.020 1
590 65 70 HIS HB2 H 3.271 0.020 1
591 65 70 HIS HB3 H 3.271 0.020 1
592 65 70 HIS C C 175.050 0.3 1
593 65 70 HIS CA C 56.536 0.3 1
594 65 70 HIS CB C 27.509 0.3 1
595 65 70 HIS N N 113.123 0.3 1
596 66 71 LYS H H 6.755 0.020 1
597 66 71 LYS HA H 3.882 0.020 1
598 66 71 LYS HB2 H 1.777 0.020 1
599 66 71 LYS HB3 H 1.777 0.020 1
600 66 71 LYS HG2 H 1.436 0.020 1
601 66 71 LYS HG3 H 1.436 0.020 1
602 66 71 LYS HD2 H 1.612 0.020 1
603 66 71 LYS HD3 H 1.612 0.020 1
604 66 71 LYS C C 175.401 0.3 1
605 66 71 LYS CA C 59.180 0.3 1
606 66 71 LYS CB C 31.732 0.3 1
607 66 71 LYS CG C 23.206 0.3 1
608 66 71 LYS CD C 27.952 0.3 1
609 66 71 LYS CE C 42.819 0.3 1
610 66 71 LYS N N 120.532 0.3 1
611 67 72 ASP H H 7.689 0.020 1
612 67 72 ASP HA H 4.739 0.020 1
613 67 72 ASP HB2 H 2.707 0.020 2
614 67 72 ASP HB3 H 2.170 0.020 2
615 67 72 ASP C C 175.461 0.3 1
616 67 72 ASP CA C 53.690 0.3 1
617 67 72 ASP CB C 40.924 0.3 1
618 67 72 ASP N N 117.480 0.3 1
619 68 73 ASP H H 7.213 0.020 1
620 68 73 ASP HA H 4.385 0.020 1
621 68 73 ASP C C 173.997 0.3 1
622 68 73 ASP CA C 53.165 0.3 1
623 68 73 ASP CB C 38.498 0.3 1
624 68 73 ASP N N 122.562 0.3 1
625 72 77 PRO HA H 4.346 0.020 1
626 72 77 PRO HB2 H 2.203 0.020 1
627 72 77 PRO HB3 H 2.203 0.020 1
628 72 77 PRO HG2 H 1.882 0.020 1
629 72 77 PRO HG3 H 1.882 0.020 1
630 72 77 PRO C C 177.046 0.3 1
631 72 77 PRO CA C 62.531 0.3 1
632 72 77 PRO CB C 32.068 0.3 1
633 72 77 PRO CG C 27.246 0.3 1
634 72 77 PRO CD C 50.355 0.3 1
635 73 78 GLU H H 8.503 0.020 1
636 73 78 GLU HA H 4.149 0.020 1
637 73 78 GLU HB2 H 1.919 0.020 1
638 73 78 GLU HB3 H 1.919 0.020 1
639 73 78 GLU HG2 H 2.218 0.020 1
640 73 78 GLU HG3 H 2.218 0.020 1
641 73 78 GLU C C 176.317 0.3 1
642 73 78 GLU CA C 56.813 0.3 1
643 73 78 GLU CB C 29.946 0.3 1
644 73 78 GLU N N 121.021 0.3 1
645 74 79 ASP H H 8.250 0.020 1
646 74 79 ASP HA H 4.524 0.020 1
647 74 79 ASP HB2 H 2.589 0.020 1
648 74 79 ASP HB3 H 2.589 0.020 1
649 74 79 ASP C C 175.775 0.3 1
650 74 79 ASP CA C 54.010 0.3 1
651 74 79 ASP CB C 41.121 0.3 1
652 74 79 ASP N N 120.147 0.3 1
653 75 80 ASP H H 8.185 0.020 1
654 75 80 ASP HA H 4.445 0.020 1
655 75 80 ASP HB2 H 2.589 0.020 1
656 75 80 ASP HB3 H 2.589 0.020 1
657 75 80 ASP C C 176.797 0.3 1
658 75 80 ASP CA C 54.431 0.3 1
659 75 80 ASP CB C 41.167 0.3 1
660 75 80 ASP N N 120.749 0.3 1
661 76 81 GLU H H 8.427 0.020 1
662 76 81 GLU HA H 4.103 0.020 1
663 76 81 GLU HB2 H 1.978 0.020 1
664 76 81 GLU HB3 H 1.978 0.020 1
665 76 81 GLU HG2 H 2.110 0.020 1
666 76 81 GLU HG3 H 2.110 0.020 1
667 76 81 GLU C C 176.620 0.3 1
668 76 81 GLU CA C 57.455 0.3 1
669 76 81 GLU CB C 29.596 0.3 1
670 76 81 GLU CG C 36.079 0.3 1
671 76 81 GLU N N 120.803 0.3 1
672 77 82 ASN H H 8.300 0.020 1
673 77 82 ASN HA H 4.593 0.020 1
674 77 82 ASN HB2 H 3.214 0.020 2
675 77 82 ASN HB3 H 2.731 0.020 2
676 77 82 ASN C C 175.351 0.3 1
677 77 82 ASN CA C 53.546 0.3 1
678 77 82 ASN CB C 38.563 0.3 1
679 77 82 ASN N N 117.838 0.3 1
680 78 83 LYS H H 7.974 0.020 1
681 78 83 LYS HA H 4.130 0.020 1
682 78 83 LYS HB2 H 2.137 0.020 1
683 78 83 LYS HB3 H 2.137 0.020 1
684 78 83 LYS HG2 H 1.317 0.020 1
685 78 83 LYS HG3 H 1.317 0.020 1
686 78 83 LYS HD2 H 1.752 0.020 1
687 78 83 LYS HD3 H 1.752 0.020 1
688 78 83 LYS HE2 H 2.578 0.020 1
689 78 83 LYS HE3 H 2.578 0.020 1
690 78 83 LYS C C 176.775 0.3 1
691 78 83 LYS CA C 56.902 0.3 1
692 78 83 LYS CB C 32.704 0.3 1
693 78 83 LYS CG C 24.626 0.3 1
694 78 83 LYS CD C 29.043 0.3 1
695 78 83 LYS CE C 42.069 0.3 1
696 78 83 LYS N N 121.125 0.3 1
697 79 84 GLU H H 8.333 0.020 1
698 79 84 GLU HA H 4.159 0.020 1
699 79 84 GLU HB2 H 1.946 0.020 1
700 79 84 GLU HB3 H 1.946 0.020 1
701 79 84 GLU HG2 H 2.142 0.020 1
702 79 84 GLU HG3 H 2.142 0.020 1
703 79 84 GLU C C 176.379 0.3 1
704 79 84 GLU CA C 56.847 0.3 1
705 79 84 GLU CB C 29.730 0.3 1
706 79 84 GLU CG C 36.155 0.3 1
707 79 84 GLU N N 120.776 0.3 1
708 80 85 LYS H H 8.154 0.020 1
709 80 85 LYS HA H 4.154 0.020 1
710 80 85 LYS HB2 H 1.743 0.020 1
711 80 85 LYS HB3 H 1.743 0.020 1
712 80 85 LYS HG2 H 1.335 0.020 1
713 80 85 LYS HG3 H 1.335 0.020 1
714 80 85 LYS HD2 H 1.646 0.020 1
715 80 85 LYS HD3 H 1.646 0.020 1
716 80 85 LYS C C 176.408 0.3 1
717 80 85 LYS CA C 56.312 0.3 1
718 80 85 LYS CB C 32.518 0.3 1
719 80 85 LYS CG C 24.626 0.3 1
720 80 85 LYS CD C 28.968 0.3 1
721 80 85 LYS CE C 41.920 0.3 1
722 80 85 LYS N N 122.209 0.3 1
723 81 86 ARG H H 8.312 0.020 1
724 81 86 ARG HA H 4.368 0.020 1
725 81 86 ARG HB2 H 1.690 0.020 1
726 81 86 ARG HB3 H 1.690 0.020 1
727 81 86 ARG HG2 H 1.690 0.020 1
728 81 86 ARG HG3 H 1.690 0.020 1
729 81 86 ARG HD2 H 3.658 0.020 2
730 81 86 ARG HD3 H 3.128 0.020 2
731 81 86 ARG C C 176.572 0.3 1
732 81 86 ARG CA C 56.102 0.3 1
733 81 86 ARG CB C 31.056 0.3 1
734 81 86 ARG CG C 27.097 0.3 1
735 81 86 ARG CD C 43.192 0.3 1
736 81 86 ARG N N 122.683 0.3 1
737 82 87 THR H H 8.324 0.020 1
738 82 87 THR HA H 4.209 0.020 1
739 82 87 THR HG2 H 1.103 0.020 1
740 82 87 THR C C 174.151 0.3 1
741 82 87 THR CA C 61.554 0.3 1
742 82 87 THR CB C 69.375 0.3 1
743 82 87 THR CG2 C 21.407 0.3 1
744 82 87 THR N N 113.848 0.3 1
745 83 88 ASP H H 8.300 0.020 1
746 83 88 ASP HA H 4.429 0.020 1
747 83 88 ASP HB2 H 2.513 0.020 1
748 83 88 ASP HB3 H 2.513 0.020 1
749 83 88 ASP C C 175.727 0.3 1
750 83 88 ASP CA C 54.028 0.3 1
751 83 88 ASP CB C 40.927 0.3 1
752 83 88 ASP N N 121.704 0.3 1
753 84 89 ASP H H 8.049 0.020 1
754 84 89 ASP HA H 4.107 0.020 1
755 84 89 ASP HB2 H 2.535 0.020 1
756 84 89 ASP HB3 H 2.535 0.020 1
757 84 89 ASP C C 175.806 0.3 1
758 84 89 ASP CA C 53.973 0.3 1
759 84 89 ASP CB C 41.080 0.3 1
760 84 89 ASP N N 120.069 0.3 1
761 85 90 ILE H H 8.264 0.020 1
762 85 90 ILE HA H 4.193 0.020 1
763 85 90 ILE C C 175.261 0.3 1
764 85 90 ILE CA C 59.499 0.3 1
765 85 90 ILE CB C 39.633 0.3 1
766 85 90 ILE N N 123.374 0.3 1
767 86 91 PRO C C 177.550 0.3 1
768 86 91 PRO CA C 63.279 0.3 1
769 86 91 PRO CB C 32.561 0.3 1
770 87 92 VAL H H 8.583 0.020 1
771 87 92 VAL HA H 3.523 0.020 1
772 87 92 VAL HB H 1.983 0.020 1
773 87 92 VAL HG1 H 1.017 0.020 1
774 87 92 VAL HG2 H 1.017 0.020 1
775 87 92 VAL C C 177.613 0.3 1
776 87 92 VAL CA C 67.159 0.3 1
777 87 92 VAL CB C 31.668 0.3 1
778 87 92 VAL CG1 C 21.856 0.3 1
779 87 92 VAL CG2 C 20.733 0.3 1
780 87 92 VAL N N 122.890 0.3 1
781 88 93 TRP H H 9.023 0.020 1
782 88 93 TRP HA H 3.907 0.020 1
783 88 93 TRP HB2 H 2.819 0.020 1
784 88 93 TRP HB3 H 2.819 0.020 1
785 88 93 TRP C C 179.129 0.3 1
786 88 93 TRP CA C 62.882 0.3 1
787 88 93 TRP CB C 29.114 0.3 1
788 88 93 TRP N N 119.954 0.3 1
789 89 94 ASP H H 7.241 0.020 1
790 89 94 ASP HA H 4.086 0.020 1
791 89 94 ASP HB2 H 1.899 0.020 2
792 89 94 ASP HB3 H 1.298 0.020 2
793 89 94 ASP C C 177.221 0.3 1
794 89 94 ASP CA C 58.222 0.3 1
795 89 94 ASP CB C 41.753 0.3 1
796 89 94 ASP N N 117.345 0.3 1
797 90 95 GLN H H 8.193 0.020 1
798 90 95 GLN HA H 3.898 0.020 1
799 90 95 GLN HB2 H 1.760 0.020 1
800 90 95 GLN HB3 H 1.760 0.020 1
801 90 95 GLN HG2 H 2.182 0.020 1
802 90 95 GLN HG3 H 2.182 0.020 1
803 90 95 GLN C C 179.404 0.3 1
804 90 95 GLN CA C 59.556 0.3 1
805 90 95 GLN CB C 28.762 0.3 1
806 90 95 GLN CG C 31.721 0.3 1
807 90 95 GLN N N 117.812 0.3 1
808 91 96 GLU H H 7.713 0.020 1
809 91 96 GLU HA H 3.708 0.020 1
810 91 96 GLU HB2 H 1.760 0.020 1
811 91 96 GLU HB3 H 1.760 0.020 1
812 91 96 GLU HG2 H 2.126 0.020 1
813 91 96 GLU HG3 H 2.126 0.020 1
814 91 96 GLU C C 179.063 0.3 1
815 91 96 GLU CA C 58.721 0.3 1
816 91 96 GLU CB C 28.833 0.3 1
817 91 96 GLU CG C 35.706 0.3 1
818 91 96 GLU N N 117.585 0.3 1
819 92 97 PHE H H 7.905 0.020 1
820 92 97 PHE HA H 3.621 0.020 1
821 92 97 PHE HB2 H 2.730 0.020 2
822 92 97 PHE HB3 H 1.824 0.020 2
823 92 97 PHE C C 175.642 0.3 1
824 92 97 PHE CA C 60.329 0.3 1
825 92 97 PHE CB C 39.455 0.3 1
826 92 97 PHE N N 122.771 0.3 1
827 93 98 LEU H H 7.449 0.020 1
828 93 98 LEU HA H 3.971 0.020 1
829 93 98 LEU HB2 H 2.023 0.020 2
830 93 98 LEU HB3 H 1.739 0.020 2
831 93 98 LEU HG H 1.739 0.020 1
832 93 98 LEU HD1 H 0.758 0.020 1
833 93 98 LEU HD2 H 0.758 0.020 1
834 93 98 LEU C C 176.056 0.3 1
835 93 98 LEU CA C 54.118 0.3 1
836 93 98 LEU CB C 40.476 0.3 1
837 93 98 LEU CG C 26.647 0.3 1
838 93 98 LEU CD1 C 23.695 0.3 1
839 93 98 LEU CD2 C 23.695 0.3 1
840 93 98 LEU N N 114.122 0.3 1
841 94 99 LYS H H 6.925 0.020 1
842 94 99 LYS HA H 4.366 0.020 1
843 94 99 LYS HB2 H 1.660 0.020 1
844 94 99 LYS HB3 H 1.660 0.020 1
845 94 99 LYS HG2 H 1.250 0.020 1
846 94 99 LYS HG3 H 1.250 0.020 1
847 94 99 LYS C C 175.291 0.3 1
848 94 99 LYS CA C 55.733 0.3 1
849 94 99 LYS CB C 29.370 0.3 1
850 94 99 LYS CG C 24.672 0.3 1
851 94 99 LYS N N 124.182 0.3 1
852 95 100 VAL H H 7.518 0.020 1
853 95 100 VAL HA H 4.497 0.020 1
854 95 100 VAL HB H 2.018 0.020 1
855 95 100 VAL HG1 H 0.543 0.020 1
856 95 100 VAL HG2 H 0.543 0.020 1
857 95 100 VAL C C 174.480 0.3 1
858 95 100 VAL CA C 58.286 0.3 1
859 95 100 VAL CB C 35.051 0.3 1
860 95 100 VAL CG1 C 21.741 0.3 1
861 95 100 VAL CG2 C 21.741 0.3 1
862 95 100 VAL N N 115.802 0.3 1
863 96 101 ASP H H 7.988 0.020 1
864 96 101 ASP HA H 4.480 0.020 1
865 96 101 ASP HB2 H 2.673 0.020 1
866 96 101 ASP HB3 H 2.673 0.020 1
867 96 101 ASP C C 175.642 0.3 1
868 96 101 ASP CA C 53.689 0.3 1
869 96 101 ASP CB C 41.619 0.3 1
870 96 101 ASP N N 118.091 0.3 1
871 97 102 GLN H H 8.732 0.020 1
872 97 102 GLN HA H 3.755 0.020 1
873 97 102 GLN HB2 H 2.123 0.020 2
874 97 102 GLN HB3 H 1.896 0.020 2
875 97 102 GLN HG2 H 2.620 0.020 1
876 97 102 GLN HG3 H 2.620 0.020 1
877 97 102 GLN HE22 H 6.756 0.020 1
878 97 102 GLN C C 177.418 0.3 1
879 97 102 GLN CA C 59.643 0.3 1
880 97 102 GLN CB C 28.293 0.3 1
881 97 102 GLN CG C 34.059 0.3 1
882 97 102 GLN N N 119.313 0.3 1
883 98 103 GLY H H 8.435 0.020 1
884 98 103 GLY HA2 H 3.843 0.020 1
885 98 103 GLY HA3 H 3.843 0.020 1
886 98 103 GLY C C 176.432 0.3 1
887 98 103 GLY CA C 47.243 0.3 1
888 98 103 GLY N N 106.945 0.3 1
889 99 104 THR H H 7.790 0.020 1
890 99 104 THR HA H 3.703 0.020 1
891 99 104 THR HB H 3.249 0.020 1
892 99 104 THR HG2 H 0.909 0.020 1
893 99 104 THR C C 175.839 0.3 1
894 99 104 THR CA C 66.231 0.3 1
895 99 104 THR CB C 67.445 0.3 1
896 99 104 THR CG2 C 20.833 0.3 1
897 99 104 THR N N 120.436 0.3 1
898 100 105 LEU H H 7.929 0.020 1
899 100 105 LEU HA H 4.244 0.020 1
900 100 105 LEU HB2 H 2.297 0.020 1
901 100 105 LEU HB3 H 2.297 0.020 1
902 100 105 LEU HG H 1.913 0.020 1
903 100 105 LEU HD1 H 1.486 0.020 1
904 100 105 LEU HD2 H 1.486 0.020 1
905 100 105 LEU C C 178.120 0.3 1
906 100 105 LEU CA C 58.608 0.3 1
907 100 105 LEU CB C 41.036 0.3 1
908 100 105 LEU CG C 29.867 0.3 1
909 100 105 LEU CD1 C 25.121 0.3 1
910 100 105 LEU CD2 C 23.935 0.3 1
911 100 105 LEU N N 122.062 0.3 1
912 101 106 PHE H H 7.937 0.020 1
913 101 106 PHE HA H 4.497 0.020 1
914 101 106 PHE HB2 H 3.013 0.020 2
915 101 106 PHE HB3 H 2.001 0.020 2
916 101 106 PHE C C 178.000 0.3 1
917 101 106 PHE CA C 61.125 0.3 1
918 101 106 PHE CB C 37.709 0.3 1
919 101 106 PHE N N 116.722 0.3 1
920 102 107 GLU H H 7.982 0.020 1
921 102 107 GLU C C 180.226 0.3 1
922 102 107 GLU CA C 59.913 0.3 1
923 102 107 GLU CB C 29.218 0.3 1
924 102 107 GLU N N 118.203 0.3 1
925 105 110 LEU HA H 4.142 0.020 1
926 105 110 LEU HB3 H 1.458 0.020 1
927 105 110 LEU HG H 1.458 0.020 1
928 105 110 LEU CA C 57.192 0.3 1
929 105 110 LEU CB C 36.230 0.3 1
930 105 110 LEU CG C 30.016 0.3 1
931 106 111 ALA H H 8.210 0.020 1
932 106 111 ALA HA H 4.122 0.020 1
933 106 111 ALA HB H 1.311 0.020 1
934 106 111 ALA C C 179.107 0.3 1
935 106 111 ALA CA C 55.196 0.3 1
936 106 111 ALA CB C 18.737 0.3 1
937 106 111 ALA N N 121.506 0.3 1
938 107 112 ALA H H 8.859 0.020 1
939 107 112 ALA HA H 3.834 0.020 1
940 107 112 ALA HB H 1.241 0.020 1
941 107 112 ALA C C 179.327 0.3 1
942 107 112 ALA CA C 55.444 0.3 1
943 107 112 ALA CB C 17.483 0.3 1
944 107 112 ALA N N 120.967 0.3 1
945 108 113 ASN H H 8.178 0.020 1
946 108 113 ASN HA H 4.166 0.020 1
947 108 113 ASN HB2 H 2.594 0.020 1
948 108 113 ASN HB3 H 2.594 0.020 1
949 108 113 ASN C C 177.528 0.3 1
950 108 113 ASN CA C 56.627 0.3 1
951 108 113 ASN CB C 39.455 0.3 1
952 108 113 ASN N N 115.773 0.3 1
953 109 114 TYR H H 8.466 0.020 1
954 109 114 TYR HA H 4.242 0.020 1
955 109 114 TYR HB2 H 2.821 0.020 1
956 109 114 TYR HB3 H 2.821 0.020 1
957 109 114 TYR C C 178.142 0.3 1
958 109 114 TYR CA C 60.329 0.3 1
959 109 114 TYR CB C 38.370 0.3 1
960 109 114 TYR N N 121.395 0.3 1
961 110 115 LEU H H 8.886 0.020 1
962 110 115 LEU HB2 H 1.745 0.020 1
963 110 115 LEU HD1 H 0.656 0.020 2
964 110 115 LEU HD2 H 0.168 0.020 2
965 110 115 LEU C C 176.402 0.3 1
966 110 115 LEU CA C 54.512 0.3 1
967 110 115 LEU CB C 41.491 0.3 1
968 110 115 LEU CG C 25.899 0.3 1
969 110 115 LEU CD1 C 22.305 0.3 1
970 110 115 LEU CD2 C 22.530 0.3 1
971 110 115 LEU N N 115.119 0.3 1
972 111 116 ASP H H 7.660 0.020 1
973 111 116 ASP HA H 4.229 0.020 1
974 111 116 ASP HB2 H 3.176 0.020 2
975 111 116 ASP HB3 H 2.139 0.020 2
976 111 116 ASP C C 173.778 0.3 1
977 111 116 ASP CA C 54.520 0.3 1
978 111 116 ASP CB C 38.689 0.3 1
979 111 116 ASP N N 125.637 0.3 1
980 112 117 ILE H H 7.794 0.020 1
981 112 117 ILE HA H 4.106 0.020 1
982 112 117 ILE HB H 2.172 0.020 1
983 112 117 ILE HG12 H 1.483 0.020 1
984 112 117 ILE HG13 H 1.483 0.020 1
985 112 117 ILE HG2 H 0.660 0.020 1
986 112 117 ILE HD1 H 0.660 0.020 1
987 112 117 ILE C C 176.154 0.3 1
988 112 117 ILE CA C 59.269 0.3 1
989 112 117 ILE CB C 38.330 0.3 1
990 112 117 ILE CG1 C 26.423 0.3 1
991 112 117 ILE CG2 C 20.733 0.3 1
992 112 117 ILE CD1 C 16.466 0.3 1
993 112 117 ILE N N 121.987 0.3 1
994 113 118 LYS H H 8.996 0.020 1
995 113 118 LYS HA H 3.857 0.020 1
996 113 118 LYS HB2 H 1.806 0.020 1
997 113 118 LYS HB3 H 1.806 0.020 1
998 113 118 LYS HG2 H 1.421 0.020 1
999 113 118 LYS HG3 H 1.421 0.020 1
1000 113 118 LYS C C 179.129 0.3 1
1001 113 118 LYS CA C 60.201 0.3 1
1002 113 118 LYS CB C 32.115 0.3 1
1003 113 118 LYS CG C 24.701 0.3 1
1004 113 118 LYS CD C 28.818 0.3 1
1005 113 118 LYS CE C 39.674 0.3 1
1006 113 118 LYS N N 128.184 0.3 1
1007 114 119 GLY H H 9.514 0.020 1
1008 114 119 GLY HA2 H 3.904 0.020 1
1009 114 119 GLY HA3 H 3.904 0.020 1
1010 114 119 GLY C C 175.620 0.3 1
1011 114 119 GLY CA C 47.243 0.3 1
1012 114 119 GLY N N 105.840 0.3 1
1013 115 120 LEU H H 6.042 0.020 1
1014 115 120 LEU HA H 3.247 0.020 1
1015 115 120 LEU HD1 H 0.893 0.020 1
1016 115 120 LEU HD2 H 0.893 0.020 1
1017 115 120 LEU C C 178.449 0.3 1
1018 115 120 LEU CA C 55.414 0.3 1
1019 115 120 LEU CB C 39.711 0.3 1
1020 115 120 LEU CG C 26.048 0.3 1
1021 115 120 LEU CD1 C 20.134 0.3 1
1022 115 120 LEU CD2 C 20.134 0.3 1
1023 115 120 LEU N N 122.574 0.3 1
1024 116 121 LEU H H 7.680 0.020 1
1025 116 121 LEU HA H 3.702 0.020 1
1026 116 121 LEU C C 177.550 0.3 1
1027 116 121 LEU CA C 57.839 0.3 1
1028 116 121 LEU CB C 41.817 0.3 1
1029 116 121 LEU CG C 25.719 0.3 1
1030 116 121 LEU N N 124.046 0.3 1
1031 117 122 ASP H H 8.221 0.020 1
1032 117 122 ASP HA H 4.317 0.020 1
1033 117 122 ASP HB2 H 2.683 0.020 1
1034 117 122 ASP HB3 H 2.683 0.020 1
1035 117 122 ASP C C 178.929 0.3 1
1036 117 122 ASP CA C 58.100 0.3 1
1037 117 122 ASP CB C 41.239 0.3 1
1038 117 122 ASP N N 116.455 0.3 1
1039 118 123 VAL H H 7.420 0.020 1
1040 118 123 VAL HA H 4.049 0.020 1
1041 118 123 VAL C C 178.559 0.3 1
1042 118 123 VAL CA C 65.711 0.3 1
1043 118 123 VAL CB C 31.420 0.3 1
1044 118 123 VAL N N 111.637 0.3 1
1045 123 128 VAL HA H 3.819 0.020 1
1046 123 128 VAL HB H 1.892 0.020 1
1047 123 128 VAL HG1 H 0.804 0.020 1
1048 123 128 VAL HG2 H 0.804 0.020 1
1049 123 128 VAL CA C 65.946 0.3 1
1050 123 128 VAL CB C 30.008 0.3 1
1051 123 128 VAL CG1 C 23.578 0.3 1
1052 123 128 VAL CG2 C 23.578 0.3 1
1053 124 129 ALA H H 8.012 0.020 1
1054 124 129 ALA HA H 4.407 0.020 1
1055 124 129 ALA HB H 1.440 0.020 1
1056 124 129 ALA C C 180.268 0.3 1
1057 124 129 ALA CA C 55.276 0.3 1
1058 124 129 ALA CB C 17.972 0.3 1
1059 124 129 ALA N N 122.198 0.3 1
1060 125 130 ASN H H 7.948 0.020 1
1061 125 130 ASN HA H 4.077 0.020 1
1062 125 130 ASN HB2 H 2.213 0.020 2
1063 125 130 ASN HB3 H 2.022 0.020 2
1064 125 130 ASN C C 177.265 0.3 1
1065 125 130 ASN CA C 55.230 0.3 1
1066 125 130 ASN CB C 38.049 0.3 1
1067 125 130 ASN N N 114.983 0.3 1
1068 126 131 MET H H 7.909 0.020 1
1069 126 131 MET HA H 4.202 0.020 1
1070 126 131 MET HB2 H 2.178 0.020 1
1071 126 131 MET HB3 H 2.178 0.020 1
1072 126 131 MET HG2 H 2.666 0.020 1
1073 126 131 MET HG3 H 2.666 0.020 1
1074 126 131 MET C C 177.415 0.3 1
1075 126 131 MET CA C 58.490 0.3 1
1076 126 131 MET CB C 33.561 0.3 1
1077 126 131 MET CG C 31.888 0.3 1
1078 126 131 MET N N 119.301 0.3 1
1079 127 132 ILE H H 7.564 0.020 1
1080 127 132 ILE HA H 4.132 0.020 1
1081 127 132 ILE HB H 1.940 0.020 1
1082 127 132 ILE HG12 H 1.284 0.020 1
1083 127 132 ILE HG13 H 1.284 0.020 1
1084 127 132 ILE HG2 H 0.824 0.020 1
1085 127 132 ILE HD1 H 0.824 0.020 1
1086 127 132 ILE C C 176.378 0.3 1
1087 127 132 ILE CA C 62.011 0.3 1
1088 127 132 ILE CB C 38.526 0.3 1
1089 127 132 ILE CG1 C 26.626 0.3 1
1090 127 132 ILE CG2 C 17.664 0.3 1
1091 127 132 ILE N N 113.041 0.3 1
1092 128 133 LYS H H 7.511 0.020 1
1093 128 133 LYS HA H 4.076 0.020 1
1094 128 133 LYS HB2 H 1.801 0.020 1
1095 128 133 LYS HB3 H 1.801 0.020 1
1096 128 133 LYS HG2 H 1.424 0.020 1
1097 128 133 LYS HG3 H 1.424 0.020 1
1098 128 133 LYS HE2 H 2.719 0.020 1
1099 128 133 LYS HE3 H 2.719 0.020 1
1100 128 133 LYS C C 177.528 0.3 1
1101 128 133 LYS CA C 58.031 0.3 1
1102 128 133 LYS CB C 32.306 0.3 1
1103 128 133 LYS CG C 24.551 0.3 1
1104 128 133 LYS CD C 29.492 0.3 1
1105 128 133 LYS CE C 42.144 0.3 1
1106 128 133 LYS N N 122.829 0.3 1
1107 129 134 GLY H H 8.596 0.020 1
1108 129 134 GLY HA2 H 3.881 0.020 1
1109 129 134 GLY HA3 H 3.881 0.020 1
1110 129 134 GLY C C 174.129 0.3 1
1111 129 134 GLY CA C 45.539 0.3 1
1112 129 134 GLY N N 111.489 0.3 1
1113 130 135 LYS H H 7.588 0.020 1
1114 130 135 LYS HA H 4.509 0.020 1
1115 130 135 LYS HB2 H 1.744 0.020 1
1116 130 135 LYS HB3 H 1.744 0.020 1
1117 130 135 LYS HG2 H 1.201 0.020 1
1118 130 135 LYS HG3 H 1.201 0.020 1
1119 130 135 LYS HD2 H 1.438 0.020 1
1120 130 135 LYS HD3 H 1.438 0.020 1
1121 130 135 LYS C C 176.717 0.3 1
1122 130 135 LYS CA C 55.414 0.3 1
1123 130 135 LYS CB C 34.093 0.3 1
1124 130 135 LYS CG C 25.300 0.3 1
1125 130 135 LYS CD C 28.893 0.3 1
1126 130 135 LYS CE C 42.400 0.3 1
1127 130 135 LYS N N 119.494 0.3 1
1128 131 136 THR H H 8.602 0.020 1
1129 131 136 THR HA H 4.564 0.020 1
1130 131 136 THR HB H 4.564 0.020 1
1131 131 136 THR C C 173.464 0.3 1
1132 131 136 THR CA C 60.015 0.3 1
1133 131 136 THR CB C 68.642 0.3 1
1134 131 136 THR N N 114.398 0.3 1
1135 135 140 ILE HA H 4.091 0.020 1
1136 135 140 ILE HB H 1.900 0.020 1
1137 135 140 ILE HG12 H 1.314 0.020 1
1138 135 140 ILE HG13 H 1.314 0.020 1
1139 135 140 ILE HG2 H 0.736 0.020 1
1140 135 140 ILE HD1 H 0.736 0.020 1
1141 135 140 ILE CA C 64.845 0.3 1
1142 135 140 ILE CB C 37.892 0.3 1
1143 135 140 ILE CG1 C 29.193 0.3 1
1144 135 140 ILE CG2 C 19.161 0.3 1
1145 136 141 ARG H H 8.036 0.020 1
1146 136 141 ARG HA H 4.084 0.020 1
1147 136 141 ARG HB2 H 1.775 0.020 1
1148 136 141 ARG HB3 H 1.775 0.020 1
1149 136 141 ARG HG2 H 1.546 0.020 1
1150 136 141 ARG HG3 H 1.546 0.020 1
1151 136 141 ARG HD2 H 3.108 0.020 1
1152 136 141 ARG HD3 H 3.108 0.020 1
1153 136 141 ARG C C 178.026 0.3 1
1154 136 141 ARG CA C 59.199 0.3 1
1155 136 141 ARG CB C 29.141 0.3 1
1156 136 141 ARG CG C 27.883 0.3 1
1157 136 141 ARG CD C 43.268 0.3 1
1158 136 141 ARG N N 119.910 0.3 1
1159 137 142 LYS H H 7.695 0.020 1
1160 137 142 LYS HA H 4.084 0.020 1
1161 137 142 LYS HB2 H 1.759 0.020 1
1162 137 142 LYS HB3 H 1.759 0.020 1
1163 137 142 LYS HG2 H 1.397 0.020 1
1164 137 142 LYS HG3 H 1.397 0.020 1
1165 137 142 LYS C C 178.215 0.3 1
1166 137 142 LYS CA C 58.488 0.3 1
1167 137 142 LYS CB C 32.450 0.3 1
1168 137 142 LYS CG C 25.075 0.3 1
1169 137 142 LYS CD C 29.043 0.3 1
1170 137 142 LYS CE C 38.626 0.3 1
1171 137 142 LYS N N 117.625 0.3 1
1172 138 143 THR H H 7.832 0.020 1
1173 138 143 THR HA H 3.941 0.020 1
1174 138 143 THR HB H 3.343 0.020 1
1175 138 143 THR HG2 H 0.715 0.020 1
1176 138 143 THR C C 174.567 0.3 1
1177 138 143 THR CA C 64.755 0.3 1
1178 138 143 THR CB C 69.185 0.3 1
1179 138 143 THR CG2 C 21.043 0.3 1
1180 138 143 THR N N 114.756 0.3 1
1181 139 144 PHE H H 7.737 0.020 1
1182 139 144 PHE HA H 4.006 0.020 1
1183 139 144 PHE HB2 H 3.043 0.020 2
1184 139 144 PHE HB3 H 2.708 0.020 2
1185 139 144 PHE C C 174.649 0.3 1
1186 139 144 PHE CA C 57.706 0.3 1
1187 139 144 PHE CB C 38.946 0.3 1
1188 139 144 PHE N N 118.442 0.3 1
1189 140 145 ASN H H 7.913 0.020 1
1190 140 145 ASN HA H 4.508 0.020 1
1191 140 145 ASN HB2 H 2.614 0.020 1
1192 140 145 ASN HB3 H 2.614 0.020 1
1193 140 145 ASN C C 174.548 0.3 1
1194 140 145 ASN CA C 53.582 0.3 1
1195 140 145 ASN CB C 38.026 0.3 1
1196 140 145 ASN N N 118.666 0.3 1
1197 141 146 ILE H H 7.948 0.020 1
1198 141 146 ILE HA H 4.031 0.020 1
1199 141 146 ILE HB H 1.717 0.020 1
1200 141 146 ILE HG12 H 1.309 0.020 1
1201 141 146 ILE HG13 H 1.309 0.020 1
1202 141 146 ILE HG2 H 0.790 0.020 1
1203 141 146 ILE HD1 H 0.790 0.020 1
1204 141 146 ILE C C 176.027 0.3 1
1205 141 146 ILE CA C 61.343 0.3 1
1206 141 146 ILE CB C 38.373 0.3 1
1207 141 146 ILE CG1 C 27.246 0.3 1
1208 141 146 ILE CG2 C 17.364 0.3 1
1209 141 146 ILE CD1 C 12.947 0.3 1
1210 141 146 ILE N N 119.592 0.3 1
1211 142 147 LYS H H 8.280 0.020 1
1212 142 147 LYS HA H 4.159 0.020 1
1213 142 147 LYS HB2 H 2.185 0.020 1
1214 142 147 LYS HB3 H 2.185 0.020 1
1215 142 147 LYS HG2 H 1.292 0.020 1
1216 142 147 LYS HG3 H 1.292 0.020 1
1217 142 147 LYS HD2 H 1.675 0.020 1
1218 142 147 LYS HD3 H 1.675 0.020 1
1219 142 147 LYS HE2 H 2.611 0.020 1
1220 142 147 LYS HE3 H 2.611 0.020 1
1221 142 147 LYS C C 175.910 0.3 1
1222 142 147 LYS CA C 56.222 0.3 1
1223 142 147 LYS CB C 32.811 0.3 1
1224 142 147 LYS CG C 24.476 0.3 1
1225 142 147 LYS CD C 28.744 0.3 1
1226 142 147 LYS CE C 41.244 0.3 1
1227 142 147 LYS N N 124.911 0.3 1
1228 143 148 ASN H H 8.224 0.020 1
1229 143 148 ASN HA H 4.542 0.020 1
1230 143 148 ASN HB2 H 2.611 0.020 1
1231 143 148 ASN HB3 H 2.611 0.020 1
1232 143 148 ASN C C 174.384 0.3 1
1233 143 148 ASN CA C 53.239 0.3 1
1234 143 148 ASN CB C 39.008 0.3 1
1235 143 148 ASN N N 119.444 0.3 1
1236 144 149 ASP H H 8.134 0.020 1
1237 144 149 ASP HA H 4.448 0.020 1
1238 144 149 ASP HB2 H 2.457 0.020 1
1239 144 149 ASP HB3 H 2.457 0.020 1
1240 144 149 ASP C C 175.712 0.3 1
1241 144 149 ASP CA C 53.971 0.3 1
1242 144 149 ASP CB C 40.900 0.3 1
1243 144 149 ASP N N 119.696 0.3 1
1244 145 150 PHE H H 8.066 0.020 1
1245 145 150 PHE HA H 4.380 0.020 1
1246 145 150 PHE HB2 H 3.127 0.020 2
1247 145 150 PHE HB3 H 2.904 0.020 2
1248 145 150 PHE C C 176.311 0.3 1
1249 145 150 PHE CA C 57.469 0.3 1
1250 145 150 PHE CB C 39.312 0.3 1
1251 145 150 PHE N N 119.860 0.3 1
1252 146 151 THR H H 8.267 0.020 1
1253 146 151 THR HA H 4.312 0.020 1
1254 146 151 THR HB H 3.963 0.020 1
1255 146 151 THR HG2 H 1.113 0.020 1
1256 146 151 THR C C 174.766 0.3 1
1257 146 151 THR CA C 61.735 0.3 1
1258 146 151 THR CB C 70.232 0.3 1
1259 146 151 THR CG2 C 21.407 0.3 1
1260 146 151 THR N N 114.922 0.3 1
1261 147 152 GLU H H 8.505 0.020 1
1262 147 152 GLU HA H 4.133 0.020 1
1263 147 152 GLU HB2 H 1.882 0.020 1
1264 147 152 GLU HB3 H 1.882 0.020 1
1265 147 152 GLU HG2 H 2.229 0.020 1
1266 147 152 GLU HG3 H 2.229 0.020 1
1267 147 152 GLU C C 177.550 0.3 1
1268 147 152 GLU CA C 57.958 0.3 1
1269 147 152 GLU CB C 29.589 0.3 1
1270 147 152 GLU N N 121.995 0.3 1
1271 149 154 GLU HA H 4.116 0.020 1
1272 149 154 GLU HB2 H 1.913 0.020 1
1273 149 154 GLU HB3 H 1.913 0.020 1
1274 149 154 GLU HG2 H 2.151 0.020 1
1275 149 154 GLU HG3 H 2.151 0.020 1
1276 149 154 GLU CA C 57.201 0.3 1
1277 149 154 GLU CB C 30.008 0.3 1
1278 149 154 GLU CG C 36.261 0.3 1
1279 150 155 GLU H H 8.347 0.020 1
1280 150 155 GLU HA H 4.048 0.020 1
1281 150 155 GLU HB2 H 1.939 0.020 1
1282 150 155 GLU HB3 H 1.939 0.020 1
1283 150 155 GLU HG2 H 2.160 0.020 1
1284 150 155 GLU HG3 H 2.160 0.020 1
1285 150 155 GLU C C 176.865 0.3 1
1286 150 155 GLU CA C 57.201 0.3 1
1287 150 155 GLU CB C 29.817 0.3 1
1288 150 155 GLU CG C 36.141 0.3 1
1289 150 155 GLU N N 121.425 0.3 1
1290 151 156 ALA H H 8.102 0.020 1
1291 151 156 ALA HA H 4.116 0.020 1
1292 151 156 ALA HB H 1.318 0.020 1
1293 151 156 ALA C C 178.297 0.3 1
1294 151 156 ALA CA C 53.174 0.3 1
1295 151 156 ALA CB C 18.703 0.3 1
1296 151 156 ALA N N 123.541 0.3 1
1297 152 157 GLN H H 8.048 0.020 1
1298 152 157 GLN HA H 4.150 0.020 1
1299 152 157 GLN HB2 H 1.956 0.020 1
1300 152 157 GLN HB3 H 1.956 0.020 1
1301 152 157 GLN HG2 H 2.279 0.020 1
1302 152 157 GLN HG3 H 2.279 0.020 1
1303 152 157 GLN C C 176.464 0.3 1
1304 152 157 GLN CA C 56.414 0.3 1
1305 152 157 GLN CB C 28.888 0.3 1
1306 152 157 GLN CG C 33.610 0.3 1
1307 152 157 GLN N N 118.502 0.3 1
1308 153 158 VAL H H 7.892 0.020 1
1309 153 158 VAL HA H 3.904 0.020 1
1310 153 158 VAL HB H 1.956 0.020 1
1311 153 158 VAL HG1 H 0.833 0.020 1
1312 153 158 VAL HG2 H 0.833 0.020 1
1313 153 158 VAL C C 176.446 0.3 1
1314 153 158 VAL CA C 63.017 0.3 1
1315 153 158 VAL CB C 32.257 0.3 1
1316 153 158 VAL CG1 C 20.883 0.3 1
1317 153 158 VAL CG2 C 20.883 0.3 1
1318 153 158 VAL N N 120.568 0.3 1
1319 154 159 ARG H H 8.171 0.020 1
1320 154 159 ARG HA H 4.235 0.020 1
1321 154 159 ARG HB2 H 2.670 0.020 1
1322 154 159 ARG HB3 H 2.670 0.020 1
1323 154 159 ARG HG2 H 1.666 0.020 1
1324 154 159 ARG HG3 H 1.666 0.020 1
1325 154 159 ARG HD2 H 3.308 0.020 1
1326 154 159 ARG HD3 H 3.308 0.020 1
1327 154 159 ARG C C 176.487 0.3 1
1328 154 159 ARG CA C 56.472 0.3 1
1329 154 159 ARG CB C 30.464 0.3 1
1330 154 159 ARG CG C 27.171 0.3 1
1331 154 159 ARG CD C 43.192 0.3 1
1332 154 159 ARG N N 123.933 0.3 1
1333 155 160 LYS H H 8.186 0.020 1
1334 155 160 LYS HA H 4.133 0.020 1
1335 155 160 LYS HB2 H 2.151 0.020 1
1336 155 160 LYS HB3 H 2.151 0.020 1
1337 155 160 LYS HG2 H 1.343 0.020 1
1338 155 160 LYS HG3 H 1.343 0.020 1
1339 155 160 LYS HD2 H 1.785 0.020 1
1340 155 160 LYS HD3 H 1.785 0.020 1
1341 155 160 LYS HE2 H 3.198 0.020 1
1342 155 160 LYS HE3 H 3.198 0.020 1
1343 155 160 LYS C C 176.834 0.3 1
1344 155 160 LYS CA C 56.609 0.3 1
1345 155 160 LYS CB C 32.768 0.3 1
1346 155 160 LYS CG C 24.678 0.3 1
1347 155 160 LYS CD C 28.985 0.3 1
1348 155 160 LYS CE C 42.202 0.3 1
1349 155 160 LYS N N 122.748 0.3 1
1350 156 161 GLU H H 8.363 0.020 1
1351 156 161 GLU HA H 4.125 0.020 1
1352 156 161 GLU HB2 H 1.896 0.020 1
1353 156 161 GLU HB3 H 1.896 0.020 1
1354 156 161 GLU HG2 H 2.160 0.020 1
1355 156 161 GLU HG3 H 2.160 0.020 1
1356 156 161 GLU C C 176.357 0.3 1
1357 156 161 GLU CA C 56.905 0.3 1
1358 156 161 GLU CB C 29.849 0.3 1
1359 156 161 GLU CG C 36.079 0.3 1
1360 156 161 GLU N N 121.083 0.3 1
1361 157 162 ASN H H 8.268 0.020 1
1362 157 162 ASN HA H 4.533 0.020 1
1363 157 162 ASN HB2 H 2.611 0.020 1
1364 157 162 ASN HB3 H 2.611 0.020 1
1365 157 162 ASN C C 175.069 0.3 1
1366 157 162 ASN CA C 53.329 0.3 1
1367 157 162 ASN CB C 38.606 0.3 1
1368 157 162 ASN N N 118.638 0.3 1
1369 158 163 GLN H H 8.115 0.020 1
1370 158 163 GLN HA H 4.150 0.020 1
1371 158 163 GLN HB2 H 1.888 0.020 1
1372 158 163 GLN HB3 H 1.888 0.020 1
1373 158 163 GLN HG2 H 2.075 0.020 1
1374 158 163 GLN HG3 H 2.075 0.020 1
1375 158 163 GLN C C 175.546 0.3 1
1376 158 163 GLN CA C 56.142 0.3 1
1377 158 163 GLN CB C 29.030 0.3 1
1378 158 163 GLN CG C 33.535 0.3 1
1379 158 163 GLN N N 120.027 0.3 1
1380 159 164 TRP H H 8.097 0.020 1
1381 159 164 TRP HA H 4.567 0.020 1
1382 159 164 TRP HB2 H 3.189 0.020 1
1383 159 164 TRP HB3 H 3.189 0.020 1
1384 159 164 TRP C C 175.821 0.3 1
1385 159 164 TRP CA C 57.244 0.3 1
1386 159 164 TRP CB C 29.183 0.3 1
1387 159 164 TRP N N 121.730 0.3 1
1388 160 165 CYS H H 7.827 0.020 1
1389 160 165 CYS HA H 4.252 0.020 1
1390 160 165 CYS HB2 H 3.351 0.020 2
1391 160 165 CYS HB3 H 2.670 0.020 2
1392 160 165 CYS HG H 1.658 0.020 1
1393 160 165 CYS C C 173.586 0.3 1
1394 160 165 CYS CA C 57.892 0.3 1
1395 160 165 CYS CB C 28.171 0.3 1
1396 160 165 CYS N N 120.983 0.3 1
1397 161 166 GLU H H 8.185 0.020 1
1398 161 166 GLU HA H 4.099 0.020 1
1399 161 166 GLU HB2 H 1.862 0.020 1
1400 161 166 GLU HB3 H 1.862 0.020 1
1401 161 166 GLU HG2 H 2.126 0.020 1
1402 161 166 GLU HG3 H 2.126 0.020 1
1403 161 166 GLU C C 175.996 0.3 1
1404 161 166 GLU CA C 56.499 0.3 1
1405 161 166 GLU CB C 30.276 0.3 1
1406 161 166 GLU CG C 36.093 0.3 1
1407 161 166 GLU N N 123.191 0.3 1
1408 162 167 GLU H H 8.287 0.020 1
1409 162 167 GLU HA H 4.193 0.020 1
1410 162 167 GLU HB2 H 1.905 0.020 1
1411 162 167 GLU HB3 H 1.905 0.020 1
1412 162 167 GLU HG2 H 2.134 0.020 1
1413 162 167 GLU HG3 H 2.134 0.020 1
1414 162 167 GLU C C 175.254 0.3 1
1415 162 167 GLU CA C 56.587 0.3 1
1416 162 167 GLU CB C 30.134 0.3 1
1417 162 167 GLU CG C 36.141 0.3 1
1418 162 167 GLU N N 122.947 0.3 1
1419 163 168 LYS H H 7.878 0.020 1
1420 163 168 LYS HA H 4.073 0.020 1
1421 163 168 LYS HB2 H 1.643 0.020 1
1422 163 168 LYS HB3 H 1.643 0.020 1
1423 163 168 LYS HG2 H 1.272 0.020 1
1424 163 168 LYS HG3 H 1.272 0.020 1
1425 163 168 LYS HE2 H 2.517 0.020 2
1426 163 168 LYS HE3 H 2.517 0.020 1
1427 163 168 LYS C C 181.127 0.3 1
1428 163 168 LYS CA C 57.296 0.3 1
1429 163 168 LYS CB C 33.601 0.3 1
1430 163 168 LYS N N 127.972 0.3 1
stop_
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