data_7339
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of Arabidopsis thaliana protein At1g70830, a member of the major latex protein family
;
_BMRB_accession_number 7339
_BMRB_flat_file_name bmr7339.str
_Entry_type original
_Submission_date 2006-11-09
_Accession_date 2006-11-15
_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 Volkman B. F. .
2 'de la Cruz' N. B. .
3 Lytle B. L. .
4 Peterson F. C. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 873
"13C chemical shifts" 665
"15N chemical shifts" 156
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-11-16 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structures of two Arabidopsis thaliana major latex proteins represent novel helix-grip folds.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19326460
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Lytle Betsy L. .
2 Song Jikui . .
3 'de la Cruz' Norberto B. .
4 Peterson Francis C. .
5 Johnson Kenneth A. .
6 Bingman Craig A. .
7 Phillips George N. Jr.
8 Volkman Brian F. .
stop_
_Journal_abbreviation Proteins
_Journal_name_full Proteins
_Journal_volume 76
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 237
_Page_last 243
_Year 2009
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'MLP-like protein 28'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'MLP-like protein 28' $MLP-like_protein_28
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'not reported'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_MLP-like_protein_28
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common MLP-like_protein_28
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 166
_Mol_residue_sequence
;
GHHHHHHLETEASSLVGKLE
TDVEIKASADKFHHMFAGKP
HHVSKASPGNIQGCDLHEGD
WGTVGSIVFWNYVHDGEAKV
AKERIEAVEPDKNLITFRVI
EGDLMKEYKSFLLTIQVTPK
PGGPGSIVHWHLEYEKISEE
VAHPETLLQFCVEVSKEIDE
HLLAEE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 8 GLY 2 9 HIS 3 10 HIS 4 11 HIS 5 12 HIS
6 13 HIS 7 14 HIS 8 15 LEU 9 16 GLU 10 17 THR
11 18 GLU 12 19 ALA 13 20 SER 14 21 SER 15 22 LEU
16 23 VAL 17 24 GLY 18 25 LYS 19 26 LEU 20 27 GLU
21 28 THR 22 29 ASP 23 30 VAL 24 31 GLU 25 32 ILE
26 33 LYS 27 34 ALA 28 35 SER 29 36 ALA 30 37 ASP
31 38 LYS 32 39 PHE 33 40 HIS 34 41 HIS 35 42 MET
36 43 PHE 37 44 ALA 38 45 GLY 39 46 LYS 40 47 PRO
41 48 HIS 42 49 HIS 43 50 VAL 44 51 SER 45 52 LYS
46 53 ALA 47 54 SER 48 55 PRO 49 56 GLY 50 57 ASN
51 58 ILE 52 59 GLN 53 60 GLY 54 61 CYS 55 62 ASP
56 63 LEU 57 64 HIS 58 65 GLU 59 66 GLY 60 67 ASP
61 68 TRP 62 69 GLY 63 70 THR 64 71 VAL 65 72 GLY
66 73 SER 67 74 ILE 68 75 VAL 69 76 PHE 70 77 TRP
71 78 ASN 72 79 TYR 73 80 VAL 74 81 HIS 75 82 ASP
76 83 GLY 77 84 GLU 78 85 ALA 79 86 LYS 80 87 VAL
81 88 ALA 82 89 LYS 83 90 GLU 84 91 ARG 85 92 ILE
86 93 GLU 87 94 ALA 88 95 VAL 89 96 GLU 90 97 PRO
91 98 ASP 92 99 LYS 93 100 ASN 94 101 LEU 95 102 ILE
96 103 THR 97 104 PHE 98 105 ARG 99 106 VAL 100 107 ILE
101 108 GLU 102 109 GLY 103 110 ASP 104 111 LEU 105 112 MET
106 113 LYS 107 114 GLU 108 115 TYR 109 116 LYS 110 117 SER
111 118 PHE 112 119 LEU 113 120 LEU 114 121 THR 115 122 ILE
116 123 GLN 117 124 VAL 118 125 THR 119 126 PRO 120 127 LYS
121 128 PRO 122 129 GLY 123 130 GLY 124 131 PRO 125 132 GLY
126 133 SER 127 134 ILE 128 135 VAL 129 136 HIS 130 137 TRP
131 138 HIS 132 139 LEU 133 140 GLU 134 141 TYR 135 142 GLU
136 143 LYS 137 144 ILE 138 145 SER 139 146 GLU 140 147 GLU
141 148 VAL 142 149 ALA 143 150 HIS 144 151 PRO 145 152 GLU
146 153 THR 147 154 LEU 148 155 LEU 149 156 GLN 150 157 PHE
151 158 CYS 152 159 VAL 153 160 GLU 154 161 VAL 155 162 SER
156 163 LYS 157 164 GLU 158 165 ILE 159 166 ASP 160 167 GLU
161 168 HIS 162 169 LEU 163 170 LEU 164 171 ALA 165 172 GLU
166 173 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-11-08
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
BMRB 15720 major_latex_protein-like_protein_28_or_MLP-like_protein_28 100.00 166 100.00 100.00 3.96e-115
PDB 2I9Y "Solution Structure Of Arabidopsis Thaliana Protein At1g70830, A Member Of The Major Latex Protein Family" 100.00 166 100.00 100.00 3.96e-115
GB AEE35123 "MLP-like protein 28 [Arabidopsis thaliana]" 94.58 201 100.00 100.00 1.94e-108
GB AEE35125 "MLP-like protein 28 [Arabidopsis thaliana]" 95.18 173 99.37 100.00 8.58e-109
REF NP_001077806 "MLP-like protein 28 [Arabidopsis thaliana]" 94.58 201 100.00 100.00 1.94e-108
REF NP_001117579 "MLP-like protein 28 [Arabidopsis thaliana]" 95.18 173 99.37 100.00 8.58e-109
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$MLP-like_protein_28 'Mouse-ear cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 'MLP28, AT1G70830'
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
$MLP-like_protein_28 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Saveframe_category sample
_Sample_type solution
_Details '0.7 mM At1g70830 U-15N/13C protein, 10 mM deuterated bis-tris, 5 mM Dithiothreitol, 95% H2O, 5% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$MLP-like_protein_28 0.7 mM '[U-13C; U-15N]'
bis-tris 10 mM [U-2H]
Dithiothreitol 5 mM none
H2O 95 % none
D2O 5 % none
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name XWINNMR
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2004
loop_
_Vendor
_Address
_Electronic_address
'Delagio,F. et al.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Eccles, C.; Guntert, P.; Billeter, M.; Wuthrich, K.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_SPSCAN
_Saveframe_category software
_Name SPSCAN
_Version 1.1.0
loop_
_Vendor
_Address
_Electronic_address
'R.W. Glaser' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_GARANT
_Saveframe_category software
_Name GARANT
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'C. Bartels' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Cyana
_Saveframe_category software
_Name Cyana
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
_Details .
save_
save_Xplor-NIH
_Saveframe_category software
_Name Xplor-NIH
_Version 2.9.3
loop_
_Vendor
_Address
_Electronic_address
'SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample
save_
save_3D_13C-separated_NOESY_(AROMATIC)_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY (AROMATIC)'
_Sample_label $sample
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 10 . mM
pH 7.0 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
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_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'MLP-like protein 28'
_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 10 3 HIS C C 172.502 0.100 1
2 11 4 HIS N N 120.816 0.100 1
3 17 10 THR H H 8.079 0.020 1
4 17 10 THR HA H 4.409 0.020 1
5 17 10 THR HB H 4.315 0.020 1
6 17 10 THR HG2 H 1.261 0.020 1
7 17 10 THR C C 174.827 0.100 1
8 17 10 THR CA C 62.187 0.100 1
9 17 10 THR CB C 70.228 0.100 1
10 17 10 THR CG2 C 21.975 0.100 1
11 17 10 THR N N 114.099 0.100 1
12 18 11 GLU H H 8.421 0.020 1
13 18 11 GLU HA H 4.397 0.020 1
14 18 11 GLU HB2 H 2.042 0.020 2
15 18 11 GLU HB3 H 2.153 0.020 2
16 18 11 GLU HG2 H 2.356 0.020 1
17 18 11 GLU HG3 H 2.356 0.020 1
18 18 11 GLU C C 176.539 0.100 1
19 18 11 GLU CA C 56.957 0.100 1
20 18 11 GLU CB C 30.839 0.100 1
21 18 11 GLU CG C 36.649 0.100 1
22 18 11 GLU N N 123.225 0.100 1
23 19 12 ALA H H 8.397 0.020 1
24 19 12 ALA HA H 4.409 0.020 1
25 19 12 ALA HB H 1.484 0.020 1
26 19 12 ALA C C 178.183 0.100 1
27 19 12 ALA CA C 53.085 0.100 1
28 19 12 ALA CB C 19.513 0.100 1
29 19 12 ALA N N 125.285 0.100 1
30 20 13 SER H H 8.299 0.020 1
31 20 13 SER HA H 4.549 0.020 1
32 20 13 SER HB2 H 3.952 0.020 2
33 20 13 SER HB3 H 4.047 0.020 2
34 20 13 SER C C 175.253 0.100 1
35 20 13 SER CA C 58.693 0.100 1
36 20 13 SER CB C 64.613 0.100 1
37 20 13 SER N N 114.822 0.100 1
38 21 14 SER H H 8.494 0.020 1
39 21 14 SER HA H 4.593 0.020 1
40 21 14 SER HB2 H 3.946 0.020 2
41 21 14 SER HB3 H 4.085 0.020 2
42 21 14 SER C C 175.267 0.100 1
43 21 14 SER CA C 59.200 0.100 1
44 21 14 SER CB C 64.253 0.100 1
45 21 14 SER N N 117.979 0.100 1
46 22 15 LEU H H 8.502 0.020 1
47 22 15 LEU HA H 4.467 0.020 1
48 22 15 LEU HB2 H 1.902 0.020 2
49 22 15 LEU HB3 H 1.990 0.020 2
50 22 15 LEU HG H 1.815 0.020 1
51 22 15 LEU HD1 H 1.028 0.020 2
52 22 15 LEU HD2 H 0.894 0.020 2
53 22 15 LEU C C 176.813 0.100 1
54 22 15 LEU CA C 55.939 0.100 1
55 22 15 LEU CB C 41.868 0.100 1
56 22 15 LEU CG C 27.366 0.100 1
57 22 15 LEU CD1 C 25.938 0.100 1
58 22 15 LEU CD2 C 23.368 0.100 1
59 22 15 LEU N N 122.636 0.100 1
60 23 16 VAL H H 7.615 0.020 1
61 23 16 VAL HA H 4.905 0.020 1
62 23 16 VAL HB H 2.075 0.020 1
63 23 16 VAL HG1 H 0.917 0.020 2
64 23 16 VAL HG2 H 0.969 0.020 2
65 23 16 VAL C C 176.376 0.100 1
66 23 16 VAL CA C 61.322 0.100 1
67 23 16 VAL CB C 33.542 0.100 1
68 23 16 VAL CG1 C 21.374 0.100 1
69 23 16 VAL CG2 C 20.842 0.100 1
70 23 16 VAL N N 118.354 0.100 1
71 24 17 GLY H H 8.071 0.020 1
72 24 17 GLY HA2 H 4.267 0.020 2
73 24 17 GLY HA3 H 3.367 0.020 2
74 24 17 GLY C C 170.561 0.100 1
75 24 17 GLY CA C 44.632 0.100 1
76 24 17 GLY N N 112.948 0.100 1
77 25 18 LYS H H 7.949 0.020 1
78 25 18 LYS HA H 5.174 0.020 1
79 25 18 LYS HB2 H 1.734 0.020 2
80 25 18 LYS HB3 H 1.651 0.020 2
81 25 18 LYS HG3 H 1.295 0.020 2
82 25 18 LYS HD2 H 1.648 0.020 1
83 25 18 LYS HD3 H 1.648 0.020 1
84 25 18 LYS HE2 H 2.941 0.020 1
85 25 18 LYS HE3 H 2.941 0.020 1
86 25 18 LYS C C 175.571 0.100 1
87 25 18 LYS CA C 54.694 0.100 1
88 25 18 LYS CB C 36.934 0.100 1
89 25 18 LYS CG C 24.627 0.100 1
90 25 18 LYS CD C 29.937 0.100 1
91 25 18 LYS CE C 42.505 0.100 1
92 25 18 LYS N N 115.972 0.100 1
93 26 19 LEU H H 8.589 0.020 1
94 26 19 LEU HA H 4.784 0.020 1
95 26 19 LEU HB2 H 1.632 0.020 2
96 26 19 LEU HB3 H 1.800 0.020 2
97 26 19 LEU HG H 1.623 0.020 1
98 26 19 LEU HD1 H 0.883 0.020 2
99 26 19 LEU HD2 H 1.043 0.020 2
100 26 19 LEU C C 174.429 0.100 1
101 26 19 LEU CA C 55.374 0.100 1
102 26 19 LEU CB C 47.213 0.100 1
103 26 19 LEU CG C 27.640 0.100 1
104 26 19 LEU CD2 C 25.337 0.100 1
105 26 19 LEU N N 123.104 0.100 1
106 27 20 GLU H H 8.563 0.020 1
107 27 20 GLU HA H 5.644 0.020 1
108 27 20 GLU HB2 H 2.063 0.020 2
109 27 20 GLU HB3 H 2.215 0.020 2
110 27 20 GLU HG2 H 2.405 0.020 2
111 27 20 GLU HG3 H 2.508 0.020 2
112 27 20 GLU C C 175.658 0.100 1
113 27 20 GLU CA C 54.783 0.100 1
114 27 20 GLU CB C 33.455 0.100 1
115 27 20 GLU CG C 37.276 0.100 1
116 27 20 GLU N N 123.318 0.100 1
117 28 21 THR H H 8.413 0.020 1
118 28 21 THR HA H 4.724 0.020 1
119 28 21 THR HB H 4.149 0.020 1
120 28 21 THR HG2 H 1.005 0.020 1
121 28 21 THR C C 170.637 0.100 1
122 28 21 THR CA C 61.847 0.100 1
123 28 21 THR CB C 69.552 0.100 1
124 28 21 THR CG2 C 19.226 0.100 1
125 28 21 THR N N 115.223 0.100 1
126 29 22 ASP H H 8.030 0.020 1
127 29 22 ASP HA H 6.092 0.020 1
128 29 22 ASP HB2 H 2.464 0.020 2
129 29 22 ASP HB3 H 2.668 0.020 2
130 29 22 ASP C C 175.917 0.100 1
131 29 22 ASP CA C 53.689 0.100 1
132 29 22 ASP CB C 44.689 0.100 1
133 29 22 ASP N N 124.483 0.100 1
134 30 23 VAL H H 9.316 0.020 1
135 30 23 VAL HA H 4.455 0.020 1
136 30 23 VAL HB H 2.209 0.020 1
137 30 23 VAL HG1 H 1.185 0.020 2
138 30 23 VAL HG2 H 0.864 0.020 2
139 30 23 VAL C C 174.981 0.100 1
140 30 23 VAL CA C 61.668 0.100 1
141 30 23 VAL CB C 36.446 0.100 1
142 30 23 VAL CG1 C 22.777 0.100 1
143 30 23 VAL CG2 C 21.867 0.100 1
144 30 23 VAL N N 123.294 0.100 1
145 31 24 GLU H H 8.875 0.020 1
146 31 24 GLU HA H 4.987 0.020 1
147 31 24 GLU HB2 H 2.051 0.020 1
148 31 24 GLU HB3 H 2.051 0.020 1
149 31 24 GLU HG2 H 2.204 0.020 2
150 31 24 GLU HG3 H 2.434 0.020 2
151 31 24 GLU C C 176.504 0.100 1
152 31 24 GLU CA C 56.938 0.100 1
153 31 24 GLU CB C 31.041 0.100 1
154 31 24 GLU CG C 37.363 0.100 1
155 31 24 GLU N N 128.328 0.100 1
156 32 25 ILE H H 8.942 0.020 1
157 32 25 ILE HA H 4.782 0.020 1
158 32 25 ILE HB H 2.103 0.020 1
159 32 25 ILE HG12 H 0.767 0.020 2
160 32 25 ILE HG13 H 1.440 0.020 2
161 32 25 ILE HG2 H 0.893 0.020 1
162 32 25 ILE HD1 H 0.687 0.020 1
163 32 25 ILE C C 176.008 0.100 1
164 32 25 ILE CA C 60.321 0.100 1
165 32 25 ILE CB C 41.220 0.100 1
166 32 25 ILE CG1 C 25.690 0.100 1
167 32 25 ILE CG2 C 17.991 0.100 1
168 32 25 ILE CD1 C 12.747 0.100 1
169 32 25 ILE N N 117.899 0.100 1
170 33 26 LYS H H 10.588 0.020 1
171 33 26 LYS HA H 4.265 0.020 1
172 33 26 LYS HB2 H 1.888 0.020 2
173 33 26 LYS HB3 H 2.189 0.020 2
174 33 26 LYS HG2 H 1.525 0.020 2
175 33 26 LYS HG3 H 1.661 0.020 2
176 33 26 LYS HD2 H 1.788 0.020 1
177 33 26 LYS HD3 H 1.788 0.020 1
178 33 26 LYS HE2 H 3.090 0.020 1
179 33 26 LYS HE3 H 3.090 0.020 1
180 33 26 LYS C C 179.248 0.100 1
181 33 26 LYS CA C 59.018 0.100 1
182 33 26 LYS CB C 33.474 0.100 1
183 33 26 LYS CG C 25.690 0.100 1
184 33 26 LYS CD C 29.249 0.100 1
185 33 26 LYS CE C 42.515 0.100 1
186 33 26 LYS N N 125.366 0.100 1
187 34 27 ALA H H 9.690 0.020 1
188 34 27 ALA HA H 4.170 0.020 1
189 34 27 ALA HB H 1.502 0.020 1
190 34 27 ALA C C 176.917 0.100 1
191 34 27 ALA CA C 52.826 0.100 1
192 34 27 ALA CB C 20.907 0.100 1
193 34 27 ALA N N 124.081 0.100 1
194 35 28 SER H H 7.994 0.020 1
195 35 28 SER HA H 4.428 0.020 1
196 35 28 SER HB2 H 4.355 0.020 2
197 35 28 SER HB3 H 4.120 0.020 2
198 35 28 SER HG H 5.207 0.020 1
199 35 28 SER CA C 57.722 0.100 1
200 35 28 SER CB C 65.158 0.100 1
201 35 28 SER N N 114.072 0.100 1
202 36 29 ALA H H 9.169 0.020 1
203 36 29 ALA HA H 3.889 0.020 1
204 36 29 ALA HB H 1.325 0.020 1
205 36 29 ALA C C 179.868 0.100 1
206 36 29 ALA CA C 55.432 0.100 1
207 36 29 ALA CB C 17.993 0.100 1
208 36 29 ALA N N 127.105 0.100 1
209 37 30 ASP H H 8.437 0.020 1
210 37 30 ASP HA H 4.490 0.020 1
211 37 30 ASP HB2 H 2.732 0.020 2
212 37 30 ASP HB3 H 2.677 0.020 2
213 37 30 ASP C C 178.560 0.100 1
214 37 30 ASP CA C 56.660 0.100 1
215 37 30 ASP CB C 40.508 0.100 1
216 37 30 ASP N N 116.106 0.100 1
217 38 31 LYS H H 7.754 0.020 1
218 38 31 LYS HA H 4.047 0.020 1
219 38 31 LYS HB2 H 1.971 0.020 2
220 38 31 LYS HB3 H 2.102 0.020 2
221 38 31 LYS HG2 H 1.585 0.020 1
222 38 31 LYS HG3 H 1.585 0.020 1
223 38 31 LYS HD2 H 1.757 0.020 1
224 38 31 LYS HD3 H 1.757 0.020 1
225 38 31 LYS HE2 H 3.114 0.020 1
226 38 31 LYS HE3 H 3.114 0.020 1
227 38 31 LYS C C 179.077 0.100 1
228 38 31 LYS CA C 58.589 0.100 1
229 38 31 LYS CB C 32.461 0.100 1
230 38 31 LYS CG C 25.653 0.100 1
231 38 31 LYS CD C 28.925 0.100 1
232 38 31 LYS CE C 42.515 0.100 1
233 38 31 LYS N N 120.147 0.100 1
234 39 32 PHE H H 7.663 0.020 1
235 39 32 PHE HA H 4.022 0.020 1
236 39 32 PHE HB2 H 2.902 0.020 2
237 39 32 PHE HB3 H 3.296 0.020 2
238 39 32 PHE HD1 H 7.138 0.020 1
239 39 32 PHE HD2 H 7.138 0.020 1
240 39 32 PHE C C 176.578 0.100 1
241 39 32 PHE CA C 61.756 0.100 1
242 39 32 PHE CB C 39.124 0.100 1
243 39 32 PHE CD1 C 131.927 0.100 1
244 39 32 PHE N N 119.465 0.100 1
245 40 33 HIS H H 8.397 0.020 1
246 40 33 HIS HA H 3.899 0.020 1
247 40 33 HIS HB2 H 3.457 0.020 2
248 40 33 HIS HB3 H 3.756 0.020 2
249 40 33 HIS C C 177.412 0.100 1
250 40 33 HIS CA C 59.291 0.100 1
251 40 33 HIS CB C 28.925 0.100 1
252 40 33 HIS N N 116.534 0.100 1
253 41 34 HIS H H 7.832 0.020 1
254 41 34 HIS HA H 4.414 0.020 1
255 41 34 HIS HB2 H 3.300 0.020 1
256 41 34 HIS HB3 H 3.300 0.020 1
257 41 34 HIS HD2 H 7.224 0.020 1
258 41 34 HIS C C 177.363 0.100 1
259 41 34 HIS CA C 58.046 0.100 1
260 41 34 HIS CB C 29.572 0.100 1
261 41 34 HIS CD2 C 120.332 0.100 1
262 41 34 HIS N N 116.682 0.100 1
263 42 35 MET H H 7.751 0.020 1
264 42 35 MET HA H 4.005 0.020 1
265 42 35 MET HB2 H 2.141 0.020 2
266 42 35 MET HB3 H 2.063 0.020 2
267 42 35 MET HG2 H 2.337 0.020 2
268 42 35 MET HG3 H 2.011 0.020 2
269 42 35 MET C C 177.051 0.100 1
270 42 35 MET CA C 57.343 0.100 1
271 42 35 MET CB C 30.000 0.100 1
272 42 35 MET CG C 31.745 0.100 1
273 42 35 MET N N 117.110 0.100 1
274 43 36 PHE H H 7.111 0.020 1
275 43 36 PHE HA H 4.454 0.020 1
276 43 36 PHE HB2 H 2.669 0.020 2
277 43 36 PHE HB3 H 3.218 0.020 2
278 43 36 PHE HD1 H 7.196 0.020 1
279 43 36 PHE HD2 H 7.196 0.020 1
280 43 36 PHE HZ H 7.228 0.020 1
281 43 36 PHE C C 175.596 0.100 1
282 43 36 PHE CA C 58.407 0.100 1
283 43 36 PHE CB C 39.279 0.100 1
284 43 36 PHE CD1 C 131.789 0.100 1
285 43 36 PHE CZ C 131.776 0.100 1
286 43 36 PHE N N 114.153 0.100 1
287 44 37 ALA H H 7.461 0.020 1
288 44 37 ALA HA H 4.405 0.020 1
289 44 37 ALA HB H 1.388 0.020 1
290 44 37 ALA C C 177.816 0.100 1
291 44 37 ALA CA C 52.866 0.100 1
292 44 37 ALA CB C 19.837 0.100 1
293 44 37 ALA N N 121.164 0.100 1
294 45 38 GLY H H 8.106 0.020 1
295 45 38 GLY HA3 H 3.983 0.020 2
296 45 38 GLY C C 173.801 0.100 1
297 45 38 GLY CA C 45.427 0.100 1
298 45 38 GLY N N 107.301 0.100 1
299 46 39 LYS H H 8.234 0.020 1
300 46 39 LYS HA H 4.602 0.020 1
301 46 39 LYS HB2 H 1.671 0.020 1
302 46 39 LYS HB3 H 1.671 0.020 1
303 46 39 LYS HG2 H 1.774 0.020 1
304 46 39 LYS HG3 H 1.774 0.020 1
305 46 39 LYS HD2 H 1.432 0.020 1
306 46 39 LYS HD3 H 1.432 0.020 1
307 46 39 LYS HE2 H 3.045 0.020 1
308 46 39 LYS HE3 H 3.045 0.020 1
309 46 39 LYS C C 174.830 0.100 1
310 46 39 LYS CA C 54.385 0.100 1
311 46 39 LYS CB C 32.913 0.100 1
312 46 39 LYS CG C 27.631 0.100 1
313 46 39 LYS CD C 28.320 0.100 1
314 46 39 LYS CE C 42.477 0.100 1
315 46 39 LYS N N 121.485 0.100 1
316 47 40 PRO HA H 4.441 0.020 1
317 47 40 PRO HB2 H 2.272 0.020 2
318 47 40 PRO HB3 H 1.803 0.020 2
319 47 40 PRO HG2 H 2.028 0.020 1
320 47 40 PRO HG3 H 2.028 0.020 1
321 47 40 PRO HD2 H 3.625 0.020 2
322 47 40 PRO HD3 H 3.788 0.020 2
323 47 40 PRO C C 177.016 0.100 1
324 47 40 PRO CA C 63.528 0.100 1
325 47 40 PRO CB C 32.290 0.100 1
326 47 40 PRO CG C 27.954 0.100 1
327 47 40 PRO CD C 50.685 0.100 1
328 48 41 HIS H H 8.510 0.020 1
329 48 41 HIS HA H 4.687 0.020 1
330 48 41 HIS HB3 H 3.158 0.020 2
331 48 41 HIS HD2 H 7.110 0.020 1
332 48 41 HIS C C 174.909 0.100 1
333 48 41 HIS CA C 56.302 0.100 1
334 48 41 HIS CB C 30.501 0.100 1
335 48 41 HIS CD2 C 120.141 0.100 1
336 48 41 HIS N N 119.398 0.100 1
337 49 42 HIS H H 8.315 0.020 1
338 49 42 HIS HA H 4.663 0.020 1
339 49 42 HIS HB2 H 3.050 0.020 1
340 49 42 HIS HB3 H 3.050 0.020 1
341 49 42 HIS HD2 H 6.970 0.020 1
342 49 42 HIS C C 175.087 0.100 1
343 49 42 HIS CA C 56.507 0.100 1
344 49 42 HIS CB C 31.060 0.100 1
345 49 42 HIS CD2 C 119.882 0.100 1
346 49 42 HIS N N 123.626 0.100 1
347 50 43 VAL H H 8.153 0.020 1
348 50 43 VAL HA H 4.202 0.020 1
349 50 43 VAL HB H 2.102 0.020 1
350 50 43 VAL HG1 H 1.037 0.020 2
351 50 43 VAL HG2 H 0.935 0.020 2
352 50 43 VAL C C 175.406 0.100 1
353 50 43 VAL CA C 62.576 0.100 1
354 50 43 VAL CB C 33.135 0.100 1
355 50 43 VAL CG1 C 20.754 0.100 1
356 50 43 VAL CG2 C 21.368 0.100 1
357 50 43 VAL N N 121.963 0.100 1
358 51 44 SER H H 8.486 0.020 1
359 51 44 SER HA H 4.556 0.020 1
360 51 44 SER HB2 H 3.971 0.020 1
361 51 44 SER HB3 H 3.971 0.020 1
362 51 44 SER C C 174.883 0.100 1
363 51 44 SER CA C 58.651 0.100 1
364 51 44 SER CB C 64.552 0.100 1
365 51 44 SER N N 119.558 0.100 1
366 52 45 LYS H H 8.430 0.020 1
367 52 45 LYS HA H 4.404 0.020 1
368 52 45 LYS HB2 H 1.813 0.020 2
369 52 45 LYS HB3 H 1.922 0.020 2
370 52 45 LYS HG2 H 1.472 0.020 2
371 52 45 LYS HG3 H 1.538 0.020 2
372 52 45 LYS HD2 H 1.715 0.020 1
373 52 45 LYS HD3 H 1.715 0.020 1
374 52 45 LYS HE2 H 3.096 0.020 1
375 52 45 LYS HE3 H 3.096 0.020 1
376 52 45 LYS C C 176.301 0.100 1
377 52 45 LYS CA C 56.570 0.100 1
378 52 45 LYS CB C 33.407 0.100 1
379 52 45 LYS CG C 25.075 0.100 1
380 52 45 LYS CD C 29.509 0.100 1
381 52 45 LYS CE C 42.505 0.100 1
382 52 45 LYS N N 123.747 0.100 1
383 53 46 ALA H H 8.307 0.020 1
384 53 46 ALA HA H 4.404 0.020 1
385 53 46 ALA HB H 1.435 0.020 1
386 53 46 ALA C C 177.529 0.100 1
387 53 46 ALA CA C 53.011 0.100 1
388 53 46 ALA CB C 19.961 0.100 1
389 53 46 ALA N N 124.670 0.100 1
390 54 47 SER H H 8.234 0.020 1
391 54 47 SER HA H 4.833 0.020 1
392 54 47 SER HB3 H 3.935 0.020 2
393 54 47 SER C C 173.031 0.100 1
394 54 47 SER CA C 56.672 0.100 1
395 54 47 SER CB C 63.778 0.100 1
396 54 47 SER N N 116.467 0.100 1
397 55 48 PRO HA H 4.494 0.020 1
398 55 48 PRO HB2 H 2.365 0.020 2
399 55 48 PRO HB3 H 2.009 0.020 2
400 55 48 PRO HG2 H 2.078 0.020 1
401 55 48 PRO HG3 H 2.078 0.020 1
402 55 48 PRO HD2 H 3.852 0.020 2
403 55 48 PRO HD3 H 3.789 0.020 2
404 55 48 PRO C C 177.742 0.100 1
405 55 48 PRO CA C 64.179 0.100 1
406 55 48 PRO CB C 32.258 0.100 1
407 55 48 PRO CG C 27.795 0.100 1
408 55 48 PRO CD C 50.974 0.100 1
409 56 49 GLY H H 8.470 0.020 1
410 56 49 GLY HA3 H 3.989 0.020 2
411 56 49 GLY C C 174.098 0.100 1
412 56 49 GLY CA C 45.641 0.100 1
413 56 49 GLY N N 108.773 0.100 1
414 57 50 ASN H H 8.256 0.020 1
415 57 50 ASN HA H 4.812 0.020 1
416 57 50 ASN HB2 H 2.828 0.020 2
417 57 50 ASN HB3 H 2.926 0.020 2
418 57 50 ASN HD21 H 6.955 0.020 2
419 57 50 ASN HD22 H 7.626 0.020 2
420 57 50 ASN C C 175.408 0.100 1
421 57 50 ASN CA C 53.588 0.100 1
422 57 50 ASN CB C 39.284 0.100 1
423 57 50 ASN N N 118.822 0.100 1
424 57 50 ASN ND2 N 112.828 0.100 1
425 58 51 ILE H H 8.128 0.020 1
426 58 51 ILE HA H 4.257 0.020 1
427 58 51 ILE HB H 1.922 0.020 1
428 58 51 ILE HG12 H 1.217 0.020 2
429 58 51 ILE HG13 H 1.500 0.020 2
430 58 51 ILE HG2 H 0.925 0.020 1
431 58 51 ILE HD1 H 0.882 0.020 1
432 58 51 ILE C C 176.313 0.100 1
433 58 51 ILE CA C 61.653 0.100 1
434 58 51 ILE CB C 38.997 0.100 1
435 58 51 ILE CG1 C 27.568 0.100 1
436 58 51 ILE CG2 C 17.941 0.100 1
437 58 51 ILE CD1 C 13.423 0.100 1
438 58 51 ILE N N 120.843 0.100 1
439 59 52 GLN H H 8.502 0.020 1
440 59 52 GLN HA H 4.453 0.020 1
441 59 52 GLN HB2 H 2.054 0.020 2
442 59 52 GLN HB3 H 2.145 0.020 2
443 59 52 GLN HG2 H 2.419 0.020 1
444 59 52 GLN HG3 H 2.419 0.020 1
445 59 52 GLN HE21 H 6.888 0.020 2
446 59 52 GLN HE22 H 7.583 0.020 2
447 59 52 GLN C C 176.421 0.100 1
448 59 52 GLN CA C 56.312 0.100 1
449 59 52 GLN CB C 30.096 0.100 1
450 59 52 GLN CG C 34.221 0.100 1
451 59 52 GLN N N 123.947 0.100 1
452 59 52 GLN NE2 N 112.306 0.100 1
453 60 53 GLY H H 8.494 0.020 1
454 60 53 GLY HA3 H 4.098 0.020 2
455 60 53 GLY C C 174.040 0.100 1
456 60 53 GLY CA C 46.172 0.100 1
457 60 53 GLY N N 110.379 0.100 1
458 61 54 CYS H H 8.261 0.020 1
459 61 54 CYS HA H 4.646 0.020 1
460 61 54 CYS HB2 H 2.910 0.020 1
461 61 54 CYS HB3 H 2.910 0.020 1
462 61 54 CYS C C 174.053 0.100 1
463 61 54 CYS CA C 58.429 0.100 1
464 61 54 CYS CB C 28.873 0.100 1
465 61 54 CYS N N 118.608 0.100 1
466 62 55 ASP H H 8.614 0.020 1
467 62 55 ASP CA C 54.462 0.100 1
468 62 55 ASP N N 123.104 0.100 1
469 63 56 LEU HA H 4.373 0.020 1
470 63 56 LEU HB2 H 1.547 0.020 1
471 63 56 LEU HB3 H 1.547 0.020 1
472 63 56 LEU HG H 1.622 0.020 1
473 63 56 LEU HD1 H 0.780 0.020 2
474 63 56 LEU HD2 H 0.736 0.020 2
475 63 56 LEU CA C 55.457 0.100 1
476 63 56 LEU CB C 42.191 0.100 1
477 63 56 LEU CG C 27.640 0.100 1
478 63 56 LEU CD1 C 25.042 0.100 1
479 63 56 LEU CD2 C 24.072 0.100 1
480 64 57 HIS HB2 H 2.824 0.020 2
481 64 57 HIS HB3 H 3.505 0.020 2
482 64 57 HIS CB C 28.925 0.100 1
483 65 58 GLU HA H 4.447 0.020 1
484 65 58 GLU HB2 H 1.966 0.020 2
485 65 58 GLU HB3 H 2.127 0.020 2
486 65 58 GLU HG2 H 2.354 0.020 1
487 65 58 GLU HG3 H 2.354 0.020 1
488 65 58 GLU C C 176.972 0.100 1
489 65 58 GLU CA C 57.276 0.100 1
490 65 58 GLU CB C 31.109 0.100 1
491 65 58 GLU CG C 36.935 0.100 1
492 66 59 GLY H H 8.465 0.020 1
493 66 59 GLY HA3 H 4.027 0.020 2
494 66 59 GLY C C 173.836 0.100 1
495 66 59 GLY CA C 45.752 0.100 1
496 66 59 GLY N N 109.779 0.100 1
497 67 60 ASP H H 8.337 0.020 1
498 67 60 ASP HA H 4.619 0.020 1
499 67 60 ASP HB2 H 2.005 0.020 1
500 67 60 ASP HB3 H 2.005 0.020 1
501 67 60 ASP C C 176.854 0.100 1
502 67 60 ASP CA C 54.788 0.100 1
503 67 60 ASP CB C 39.419 0.100 1
504 67 60 ASP N N 119.893 0.100 1
505 68 61 TRP H H 8.654 0.020 1
506 68 61 TRP HD1 H 7.223 0.020 1
507 68 61 TRP HE1 H 10.309 0.020 1
508 68 61 TRP HZ2 H 7.464 0.020 1
509 68 61 TRP HH2 H 7.077 0.020 1
510 68 61 TRP C C 175.297 0.100 1
511 68 61 TRP CD1 C 125.314 0.100 1
512 68 61 TRP CZ2 C 114.350 0.100 1
513 68 61 TRP CH2 C 123.403 0.100 1
514 68 61 TRP NE1 N 128.470 0.100 1
515 69 62 GLY H H 8.087 0.020 1
516 69 62 GLY HA2 H 4.395 0.020 2
517 69 62 GLY HA3 H 3.906 0.020 2
518 69 62 GLY C C 174.723 0.100 1
519 69 62 GLY CA C 46.102 0.100 1
520 69 62 GLY N N 101.481 0.100 1
521 70 63 THR H H 7.651 0.020 1
522 70 63 THR HA H 4.569 0.020 1
523 70 63 THR HB H 4.057 0.020 1
524 70 63 THR HG2 H 1.264 0.020 1
525 70 63 THR C C 174.811 0.100 1
526 70 63 THR CA C 61.792 0.100 1
527 70 63 THR CB C 70.498 0.100 1
528 70 63 THR CG2 C 21.797 0.100 1
529 70 63 THR N N 115.330 0.100 1
530 71 64 VAL H H 8.720 0.020 1
531 71 64 VAL HA H 3.387 0.020 1
532 71 64 VAL HB H 2.026 0.020 1
533 71 64 VAL HG1 H 0.987 0.020 2
534 71 64 VAL HG2 H 1.049 0.020 2
535 71 64 VAL C C 176.944 0.100 1
536 71 64 VAL CA C 65.596 0.100 1
537 71 64 VAL CB C 31.987 0.100 1
538 71 64 VAL CG1 C 21.517 0.100 1
539 71 64 VAL CG2 C 23.488 0.100 1
540 71 64 VAL N N 128.243 0.100 1
541 72 65 GLY H H 9.414 0.020 1
542 72 65 GLY HA2 H 4.539 0.020 2
543 72 65 GLY HA3 H 3.545 0.020 2
544 72 65 GLY C C 174.590 0.100 1
545 72 65 GLY CA C 44.790 0.100 1
546 72 65 GLY N N 116.079 0.100 1
547 73 66 SER H H 7.754 0.020 1
548 73 66 SER HA H 4.514 0.020 1
549 73 66 SER HB3 H 4.030 0.020 2
550 73 66 SER C C 172.262 0.100 1
551 73 66 SER CA C 59.889 0.100 1
552 73 66 SER CB C 64.511 0.100 1
553 73 66 SER N N 116.561 0.100 1
554 74 67 ILE H H 8.388 0.020 1
555 74 67 ILE HA H 5.156 0.020 1
556 74 67 ILE HB H 1.949 0.020 1
557 74 67 ILE HG12 H 1.481 0.020 2
558 74 67 ILE HG13 H 1.577 0.020 2
559 74 67 ILE HG2 H 0.681 0.020 1
560 74 67 ILE HD1 H 0.805 0.020 1
561 74 67 ILE C C 176.244 0.100 1
562 74 67 ILE CA C 58.675 0.100 1
563 74 67 ILE CB C 38.350 0.100 1
564 74 67 ILE CG1 C 27.469 0.100 1
565 74 67 ILE CG2 C 18.577 0.100 1
566 74 67 ILE CD1 C 11.042 0.100 1
567 74 67 ILE N N 122.609 0.100 1
568 75 68 VAL H H 9.064 0.020 1
569 75 68 VAL HA H 4.613 0.020 1
570 75 68 VAL HB H 1.781 0.020 1
571 75 68 VAL HG2 H 0.684 0.020 2
572 75 68 VAL C C 173.753 0.100 1
573 75 68 VAL CA C 60.240 0.100 1
574 75 68 VAL CB C 36.043 0.100 1
575 75 68 VAL CG2 C 21.338 0.100 1
576 75 68 VAL N N 125.473 0.100 1
577 76 69 PHE H H 8.836 0.020 1
578 76 69 PHE HA H 5.257 0.020 1
579 76 69 PHE HB2 H 2.955 0.020 2
580 76 69 PHE HB3 H 3.059 0.020 2
581 76 69 PHE HD1 H 7.228 0.020 1
582 76 69 PHE HD2 H 7.228 0.020 1
583 76 69 PHE HE1 H 7.408 0.020 1
584 76 69 PHE HE2 H 7.408 0.020 1
585 76 69 PHE HZ H 7.350 0.020 1
586 76 69 PHE C C 175.591 0.100 1
587 76 69 PHE CA C 56.945 0.100 1
588 76 69 PHE CB C 41.633 0.100 1
589 76 69 PHE CD1 C 131.776 0.100 1
590 76 69 PHE CE1 C 131.439 0.100 1
591 76 69 PHE CZ C 129.594 0.100 1
592 76 69 PHE N N 122.690 0.100 1
593 77 70 TRP H H 9.280 0.020 1
594 77 70 TRP HA H 5.455 0.020 1
595 77 70 TRP HB2 H 3.095 0.020 2
596 77 70 TRP HB3 H 3.353 0.020 2
597 77 70 TRP HD1 H 7.259 0.020 1
598 77 70 TRP HE1 H 8.323 0.020 1
599 77 70 TRP CA C 54.486 0.100 1
600 77 70 TRP CD1 C 124.742 0.100 1
601 77 70 TRP N N 123.030 0.100 1
602 77 70 TRP NE1 N 124.603 0.100 1
603 78 71 ASN H H 8.982 0.020 1
604 78 71 ASN HA H 5.657 0.020 1
605 78 71 ASN HB3 H 2.862 0.020 2
606 78 71 ASN HD21 H 6.894 0.020 2
607 78 71 ASN HD22 H 7.746 0.020 2
608 78 71 ASN C C 173.775 0.100 1
609 78 71 ASN CA C 53.176 0.100 1
610 78 71 ASN CB C 41.176 0.100 1
611 78 71 ASN N N 123.546 0.100 1
612 78 71 ASN ND2 N 112.627 0.100 1
613 79 72 TYR H H 8.419 0.020 1
614 79 72 TYR HA H 5.064 0.020 1
615 79 72 TYR HB2 H 2.847 0.020 2
616 79 72 TYR HB3 H 2.954 0.020 2
617 79 72 TYR HD1 H 6.898 0.020 1
618 79 72 TYR HD2 H 6.898 0.020 1
619 79 72 TYR HE1 H 6.672 0.020 1
620 79 72 TYR HE2 H 6.672 0.020 1
621 79 72 TYR C C 172.502 0.100 1
622 79 72 TYR CA C 56.107 0.100 1
623 79 72 TYR CB C 39.459 0.100 1
624 79 72 TYR CD1 C 134.073 0.100 1
625 79 72 TYR CE1 C 117.555 0.100 1
626 79 72 TYR N N 118.087 0.100 1
627 80 73 VAL H H 8.474 0.020 1
628 80 73 VAL HA H 4.702 0.020 1
629 80 73 VAL HB H 1.922 0.020 1
630 80 73 VAL HG1 H 0.740 0.020 2
631 80 73 VAL HG2 H 0.868 0.020 2
632 80 73 VAL C C 175.335 0.100 1
633 80 73 VAL CA C 61.432 0.100 1
634 80 73 VAL CB C 33.779 0.100 1
635 80 73 VAL CG1 C 21.232 0.100 1
636 80 73 VAL CG2 C 21.232 0.100 1
637 80 73 VAL N N 120.874 0.100 1
638 81 74 HIS H H 8.718 0.020 1
639 81 74 HIS HA H 5.091 0.020 1
640 81 74 HIS HB2 H 2.953 0.020 2
641 81 74 HIS HB3 H 3.294 0.020 2
642 81 74 HIS HD2 H 7.209 0.020 1
643 81 74 HIS C C 174.940 0.100 1
644 81 74 HIS CA C 54.961 0.100 1
645 81 74 HIS CB C 33.613 0.100 1
646 81 74 HIS CD2 C 118.983 0.100 1
647 81 74 HIS N N 124.603 0.100 1
648 82 75 ASP H H 9.275 0.020 1
649 82 75 ASP HA H 4.159 0.020 1
650 82 75 ASP HB2 H 2.152 0.020 2
651 82 75 ASP HB3 H 2.883 0.020 2
652 82 75 ASP C C 176.151 0.100 1
653 82 75 ASP CA C 55.133 0.100 1
654 82 75 ASP CB C 39.405 0.100 1
655 82 75 ASP N N 130.183 0.100 1
656 83 76 GLY H H 8.250 0.020 1
657 83 76 GLY HA2 H 4.160 0.020 2
658 83 76 GLY HA3 H 3.525 0.020 2
659 83 76 GLY C C 173.761 0.100 1
660 83 76 GLY CA C 45.627 0.100 1
661 83 76 GLY N N 102.351 0.100 1
662 84 77 GLU H H 7.794 0.020 1
663 84 77 GLU HA H 4.624 0.020 1
664 84 77 GLU HB2 H 2.062 0.020 2
665 84 77 GLU HB3 H 1.997 0.020 2
666 84 77 GLU HG2 H 2.337 0.020 2
667 84 77 GLU HG3 H 2.212 0.020 2
668 84 77 GLU C C 174.558 0.100 1
669 84 77 GLU CA C 54.874 0.100 1
670 84 77 GLU CB C 32.802 0.100 1
671 84 77 GLU CG C 36.364 0.100 1
672 84 77 GLU N N 121.004 0.100 1
673 85 78 ALA H H 8.544 0.020 1
674 85 78 ALA HA H 4.450 0.020 1
675 85 78 ALA HB H 1.411 0.020 1
676 85 78 ALA C C 176.915 0.100 1
677 85 78 ALA CA C 53.035 0.100 1
678 85 78 ALA CB C 19.015 0.100 1
679 85 78 ALA N N 127.172 0.100 1
680 86 79 LYS H H 8.868 0.020 1
681 86 79 LYS HA H 4.628 0.020 1
682 86 79 LYS HB2 H 0.152 0.020 2
683 86 79 LYS HB3 H 1.289 0.020 2
684 86 79 LYS HG3 H 1.236 0.020 2
685 86 79 LYS HD2 H 1.511 0.020 2
686 86 79 LYS HD3 H 1.688 0.020 2
687 86 79 LYS HE2 H 2.932 0.020 2
688 86 79 LYS HE3 H 3.074 0.020 2
689 86 79 LYS C C 175.719 0.100 1
690 86 79 LYS CA C 53.918 0.100 1
691 86 79 LYS CB C 35.720 0.100 1
692 86 79 LYS CG C 25.042 0.100 1
693 86 79 LYS CD C 29.249 0.100 1
694 86 79 LYS CE C 43.194 0.100 1
695 86 79 LYS N N 123.573 0.100 1
696 87 80 VAL H H 8.698 0.020 1
697 87 80 VAL HA H 5.454 0.020 1
698 87 80 VAL HB H 2.097 0.020 1
699 87 80 VAL HG1 H 1.060 0.020 2
700 87 80 VAL HG2 H 1.070 0.020 2
701 87 80 VAL C C 175.866 0.100 1
702 87 80 VAL CA C 60.472 0.100 1
703 87 80 VAL CB C 36.364 0.100 1
704 87 80 VAL CG1 C 21.094 0.100 1
705 87 80 VAL CG2 C 21.511 0.100 1
706 87 80 VAL N N 118.488 0.100 1
707 88 81 ALA H H 9.394 0.020 1
708 88 81 ALA HA H 5.143 0.020 1
709 88 81 ALA HB H 1.778 0.020 1
710 88 81 ALA C C 175.126 0.100 1
711 88 81 ALA CA C 52.222 0.100 1
712 88 81 ALA CB C 21.975 0.100 1
713 88 81 ALA N N 129.898 0.100 1
714 89 82 LYS H H 8.778 0.020 1
715 89 82 LYS HA H 4.707 0.020 1
716 89 82 LYS HB2 H 1.731 0.020 2
717 89 82 LYS HB3 H 1.581 0.020 2
718 89 82 LYS C C 175.109 0.100 1
719 89 82 LYS CA C 55.558 0.100 1
720 89 82 LYS CB C 35.272 0.100 1
721 89 82 LYS CG C 25.141 0.100 1
722 89 82 LYS N N 126.102 0.100 1
723 90 83 GLU H H 9.212 0.020 1
724 90 83 GLU HA H 4.601 0.020 1
725 90 83 GLU HB2 H 1.793 0.020 1
726 90 83 GLU HB3 H 1.793 0.020 1
727 90 83 GLU HG2 H 2.153 0.020 2
728 90 83 GLU HG3 H 2.045 0.020 2
729 90 83 GLU C C 173.270 0.100 1
730 90 83 GLU CA C 53.829 0.100 1
731 90 83 GLU CB C 32.978 0.100 1
732 90 83 GLU CG C 35.615 0.100 1
733 90 83 GLU N N 124.389 0.100 1
734 91 84 ARG H H 9.230 0.020 1
735 91 84 ARG HA H 5.442 0.020 1
736 91 84 ARG HB2 H 1.489 0.020 2
737 91 84 ARG HB3 H 1.867 0.020 2
738 91 84 ARG HG3 H 1.493 0.020 2
739 91 84 ARG HD3 H 3.258 0.020 2
740 91 84 ARG C C 176.725 0.100 1
741 91 84 ARG CA C 53.815 0.100 1
742 91 84 ARG CB C 34.874 0.100 1
743 91 84 ARG CG C 27.938 0.100 1
744 91 84 ARG CD C 43.977 0.100 1
745 91 84 ARG N N 121.178 0.100 1
746 92 85 ILE H H 8.795 0.020 1
747 92 85 ILE HA H 3.866 0.020 1
748 92 85 ILE HB H 1.960 0.020 1
749 92 85 ILE HG12 H 0.718 0.020 2
750 92 85 ILE HG13 H 1.643 0.020 2
751 92 85 ILE HG2 H 0.573 0.020 1
752 92 85 ILE HD1 H 0.811 0.020 1
753 92 85 ILE C C 176.346 0.100 1
754 92 85 ILE CA C 63.679 0.100 1
755 92 85 ILE CB C 37.663 0.100 1
756 92 85 ILE CG1 C 28.602 0.100 1
757 92 85 ILE CG2 C 17.941 0.100 1
758 92 85 ILE CD1 C 13.400 0.100 1
759 92 85 ILE N N 126.329 0.100 1
760 93 86 GLU H H 9.064 0.020 1
761 93 86 GLU HA H 4.644 0.020 1
762 93 86 GLU HB2 H 1.561 0.020 2
763 93 86 GLU HB3 H 2.102 0.020 2
764 93 86 GLU HG2 H 2.219 0.020 2
765 93 86 GLU HG3 H 2.327 0.020 2
766 93 86 GLU C C 176.743 0.100 1
767 93 86 GLU CA C 56.996 0.100 1
768 93 86 GLU CB C 32.202 0.100 1
769 93 86 GLU CG C 36.471 0.100 1
770 93 86 GLU N N 130.504 0.100 1
771 94 87 ALA H H 7.697 0.020 1
772 94 87 ALA HA H 4.491 0.020 1
773 94 87 ALA HB H 1.340 0.020 1
774 94 87 ALA C C 174.723 0.100 1
775 94 87 ALA CA C 52.618 0.100 1
776 94 87 ALA CB C 21.813 0.100 1
777 94 87 ALA N N 119.371 0.100 1
778 95 88 VAL H H 8.600 0.020 1
779 95 88 VAL HA H 4.737 0.020 1
780 95 88 VAL HB H 2.039 0.020 1
781 95 88 VAL HG2 H 0.945 0.020 2
782 95 88 VAL C C 174.047 0.100 1
783 95 88 VAL CA C 61.582 0.100 1
784 95 88 VAL CB C 35.703 0.100 1
785 95 88 VAL CG1 C 20.754 0.100 1
786 95 88 VAL CG2 C 20.940 0.100 1
787 95 88 VAL N N 117.792 0.100 1
788 96 89 GLU H H 8.844 0.020 1
789 96 89 GLU HA H 4.945 0.020 1
790 96 89 GLU HB2 H 2.007 0.020 1
791 96 89 GLU HB3 H 2.007 0.020 1
792 96 89 GLU HG2 H 2.140 0.020 2
793 96 89 GLU HG3 H 2.203 0.020 2
794 96 89 GLU C C 175.126 0.100 1
795 96 89 GLU CA C 53.520 0.100 1
796 96 89 GLU CB C 31.447 0.100 1
797 96 89 GLU CG C 36.380 0.100 1
798 96 89 GLU N N 124.483 0.100 1
799 97 90 PRO HA H 3.534 0.020 1
800 97 90 PRO HB2 H 1.945 0.020 2
801 97 90 PRO HB3 H 2.032 0.020 2
802 97 90 PRO HG2 H 1.682 0.020 2
803 97 90 PRO HG3 H 2.182 0.020 2
804 97 90 PRO HD2 H 3.509 0.020 2
805 97 90 PRO HD3 H 3.946 0.020 2
806 97 90 PRO C C 178.861 0.100 1
807 97 90 PRO CA C 65.749 0.100 1
808 97 90 PRO CB C 32.526 0.100 1
809 97 90 PRO CG C 27.631 0.100 1
810 97 90 PRO CD C 51.122 0.100 1
811 98 91 ASP H H 8.852 0.020 1
812 98 91 ASP HA H 4.496 0.020 1
813 98 91 ASP HB2 H 2.733 0.020 2
814 98 91 ASP HB3 H 2.795 0.020 2
815 98 91 ASP C C 177.091 0.100 1
816 98 91 ASP CA C 56.507 0.100 1
817 98 91 ASP CB C 39.926 0.100 1
818 98 91 ASP N N 114.902 0.100 1
819 99 92 LYS H H 7.526 0.020 1
820 99 92 LYS HA H 4.595 0.020 1
821 99 92 LYS HB2 H 2.017 0.020 2
822 99 92 LYS HB3 H 1.621 0.020 2
823 99 92 LYS HG2 H 1.362 0.020 2
824 99 92 LYS HG3 H 1.445 0.020 2
825 99 92 LYS HD2 H 1.680 0.020 2
826 99 92 LYS HD3 H 1.749 0.020 2
827 99 92 LYS HE3 H 2.987 0.020 2
828 99 92 LYS C C 175.491 0.100 1
829 99 92 LYS CA C 55.106 0.100 1
830 99 92 LYS CB C 34.496 0.100 1
831 99 92 LYS CG C 25.081 0.100 1
832 99 92 LYS CD C 29.480 0.100 1
833 99 92 LYS CE C 42.219 0.100 1
834 99 92 LYS N N 116.855 0.100 1
835 100 93 ASN H H 8.112 0.020 1
836 100 93 ASN HA H 4.593 0.020 1
837 100 93 ASN HB2 H 3.467 0.020 1
838 100 93 ASN HB3 H 3.467 0.020 1
839 100 93 ASN HD21 H 6.899 0.020 2
840 100 93 ASN HD22 H 7.371 0.020 2
841 100 93 ASN C C 172.372 0.100 1
842 100 93 ASN CA C 54.411 0.100 1
843 100 93 ASN CB C 38.413 0.100 1
844 100 93 ASN N N 117.658 0.100 1
845 100 93 ASN ND2 N 108.987 0.100 1
846 101 94 LEU H H 7.124 0.020 1
847 101 94 LEU HA H 5.725 0.020 1
848 101 94 LEU HB2 H 1.362 0.020 2
849 101 94 LEU HB3 H 1.652 0.020 2
850 101 94 LEU HG H 1.533 0.020 1
851 101 94 LEU HD1 H 0.774 0.020 2
852 101 94 LEU HD2 H 0.711 0.020 2
853 101 94 LEU C C 175.079 0.100 1
854 101 94 LEU CA C 54.738 0.100 1
855 101 94 LEU CB C 47.716 0.100 1
856 101 94 LEU CG C 27.307 0.100 1
857 101 94 LEU CD1 C 26.568 0.100 1
858 101 94 LEU CD2 C 24.939 0.100 1
859 101 94 LEU N N 118.167 0.100 1
860 102 95 ILE H H 9.023 0.020 1
861 102 95 ILE HA H 4.774 0.020 1
862 102 95 ILE HB H 1.826 0.020 1
863 102 95 ILE HG12 H 0.449 0.020 2
864 102 95 ILE HG13 H 1.714 0.020 2
865 102 95 ILE HG2 H 0.844 0.020 1
866 102 95 ILE HD1 H 0.447 0.020 1
867 102 95 ILE C C 172.760 0.100 1
868 102 95 ILE CA C 61.040 0.100 1
869 102 95 ILE CB C 42.515 0.100 1
870 102 95 ILE CG1 C 27.631 0.100 1
871 102 95 ILE CG2 C 17.283 0.100 1
872 102 95 ILE CD1 C 14.371 0.100 1
873 102 95 ILE N N 124.857 0.100 1
874 103 96 THR H H 8.634 0.020 1
875 103 96 THR HA H 5.508 0.020 1
876 103 96 THR HB H 3.737 0.020 1
877 103 96 THR HG2 H 1.198 0.020 1
878 103 96 THR C C 173.956 0.100 1
879 103 96 THR CA C 61.868 0.100 1
880 103 96 THR CB C 71.346 0.100 1
881 103 96 THR CG2 C 22.120 0.100 1
882 103 96 THR N N 123.104 0.100 1
883 104 97 PHE H H 10.098 0.020 1
884 104 97 PHE HA H 5.444 0.020 1
885 104 97 PHE HB2 H 2.650 0.020 2
886 104 97 PHE HB3 H 2.848 0.020 2
887 104 97 PHE HD1 H 6.840 0.020 1
888 104 97 PHE HD2 H 6.840 0.020 1
889 104 97 PHE HZ H 7.219 0.020 1
890 104 97 PHE C C 174.209 0.100 1
891 104 97 PHE CA C 56.082 0.100 1
892 104 97 PHE CB C 43.771 0.100 1
893 104 97 PHE CD1 C 132.306 0.100 1
894 104 97 PHE CZ C 129.792 0.100 1
895 104 97 PHE N N 125.674 0.100 1
896 105 98 ARG H H 9.389 0.020 1
897 105 98 ARG HA H 5.251 0.020 1
898 105 98 ARG HB2 H 1.872 0.020 1
899 105 98 ARG HB3 H 1.872 0.020 1
900 105 98 ARG HG2 H 1.415 0.020 2
901 105 98 ARG HG3 H 1.791 0.020 2
902 105 98 ARG HD2 H 3.493 0.020 2
903 105 98 ARG HD3 H 3.021 0.020 2
904 105 98 ARG C C 174.396 0.100 1
905 105 98 ARG CA C 54.973 0.100 1
906 105 98 ARG CB C 34.487 0.100 1
907 105 98 ARG CG C 28.320 0.100 1
908 105 98 ARG CD C 43.504 0.100 1
909 105 98 ARG N N 121.539 0.100 1
910 106 99 VAL H H 8.698 0.020 1
911 106 99 VAL HA H 4.146 0.020 1
912 106 99 VAL HB H 2.264 0.020 1
913 106 99 VAL HG1 H 0.958 0.020 2
914 106 99 VAL HG2 H 0.962 0.020 2
915 106 99 VAL C C 175.119 0.100 1
916 106 99 VAL CA C 64.618 0.100 1
917 106 99 VAL CB C 31.987 0.100 1
918 106 99 VAL CG1 C 22.210 0.100 1
919 106 99 VAL CG2 C 22.216 0.100 1
920 106 99 VAL N N 127.962 0.100 1
921 107 100 ILE H H 9.064 0.020 1
922 107 100 ILE HA H 4.733 0.020 1
923 107 100 ILE HB H 2.002 0.020 1
924 107 100 ILE HG12 H 1.089 0.020 2
925 107 100 ILE HG13 H 1.327 0.020 2
926 107 100 ILE HG2 H 0.989 0.020 1
927 107 100 ILE HD1 H 0.839 0.020 1
928 107 100 ILE C C 176.531 0.100 1
929 107 100 ILE CA C 61.483 0.100 1
930 107 100 ILE CB C 40.094 0.100 1
931 107 100 ILE CG1 C 26.652 0.100 1
932 107 100 ILE CG2 C 18.219 0.100 1
933 107 100 ILE CD1 C 13.406 0.100 1
934 107 100 ILE N N 120.602 0.100 1
935 108 101 GLU H H 7.978 0.020 1
936 108 101 GLU HA H 4.664 0.020 1
937 108 101 GLU HB2 H 2.043 0.020 2
938 108 101 GLU HB3 H 2.146 0.020 2
939 108 101 GLU HG2 H 2.442 0.020 2
940 108 101 GLU HG3 H 2.340 0.020 2
941 108 101 GLU C C 174.053 0.100 1
942 108 101 GLU CA C 56.333 0.100 1
943 108 101 GLU CB C 35.636 0.100 1
944 108 101 GLU CG C 37.649 0.100 1
945 108 101 GLU N N 119.585 0.100 1
946 109 102 GLY H H 8.695 0.020 1
947 109 102 GLY HA2 H 5.171 0.020 2
948 109 102 GLY HA3 H 4.031 0.020 2
949 109 102 GLY C C 175.651 0.100 1
950 109 102 GLY CA C 44.111 0.100 1
951 109 102 GLY N N 109.148 0.100 1
952 110 103 ASP H H 8.755 0.020 1
953 110 103 ASP HA H 4.316 0.020 1
954 110 103 ASP HB2 H 2.679 0.020 1
955 110 103 ASP HB3 H 2.679 0.020 1
956 110 103 ASP C C 180.002 0.100 1
957 110 103 ASP CA C 59.523 0.100 1
958 110 103 ASP CB C 41.936 0.100 1
959 110 103 ASP N N 121.566 0.100 1
960 111 104 LEU H H 9.348 0.020 1
961 111 104 LEU HA H 4.054 0.020 1
962 111 104 LEU HB2 H 0.981 0.020 2
963 111 104 LEU HB3 H 1.274 0.020 2
964 111 104 LEU HG H 1.273 0.020 1
965 111 104 LEU HD1 H -0.389 0.020 2
966 111 104 LEU HD2 H 0.155 0.020 2
967 111 104 LEU C C 179.405 0.100 1
968 111 104 LEU CA C 58.375 0.100 1
969 111 104 LEU CB C 43.266 0.100 1
970 111 104 LEU CG C 27.203 0.100 1
971 111 104 LEU CD1 C 24.939 0.100 1
972 111 104 LEU CD2 C 23.073 0.100 1
973 111 104 LEU N N 120.709 0.100 1
974 112 105 MET H H 7.762 0.020 1
975 112 105 MET HA H 5.267 0.020 1
976 112 105 MET HB2 H 2.354 0.020 2
977 112 105 MET HB3 H 2.499 0.020 2
978 112 105 MET HG2 H 2.536 0.020 1
979 112 105 MET HG3 H 2.536 0.020 1
980 112 105 MET HE H 1.979 0.020 1
981 112 105 MET C C 177.716 0.100 1
982 112 105 MET CA C 55.115 0.100 1
983 112 105 MET CB C 30.390 0.100 1
984 112 105 MET CG C 33.231 0.100 1
985 112 105 MET CE C 17.606 0.100 1
986 112 105 MET N N 114.393 0.100 1
987 113 106 LYS H H 7.648 0.020 1
988 113 106 LYS HA H 4.258 0.020 1
989 113 106 LYS HB2 H 1.997 0.020 1
990 113 106 LYS HB3 H 1.997 0.020 1
991 113 106 LYS HG2 H 1.568 0.020 2
992 113 106 LYS HG3 H 1.661 0.020 2
993 113 106 LYS HD2 H 1.826 0.020 1
994 113 106 LYS HD3 H 1.826 0.020 1
995 113 106 LYS HE2 H 3.116 0.020 2
996 113 106 LYS HE3 H 3.061 0.020 2
997 113 106 LYS C C 176.929 0.100 1
998 113 106 LYS CA C 58.031 0.100 1
999 113 106 LYS CB C 32.936 0.100 1
1000 113 106 LYS CG C 26.081 0.100 1
1001 113 106 LYS CD C 29.651 0.100 1
1002 113 106 LYS CE C 42.613 0.100 1
1003 113 106 LYS N N 116.668 0.100 1
1004 114 107 GLU H H 7.420 0.020 1
1005 114 107 GLU HA H 4.216 0.020 1
1006 114 107 GLU HB2 H 1.695 0.020 2
1007 114 107 GLU HB3 H 1.412 0.020 2
1008 114 107 GLU HG2 H 2.031 0.020 1
1009 114 107 GLU HG3 H 2.031 0.020 1
1010 114 107 GLU C C 174.964 0.100 1
1011 114 107 GLU CA C 57.414 0.100 1
1012 114 107 GLU CB C 34.555 0.100 1
1013 114 107 GLU CG C 37.014 0.100 1
1014 114 107 GLU N N 115.785 0.100 1
1015 115 108 TYR H H 7.848 0.020 1
1016 115 108 TYR HA H 5.091 0.020 1
1017 115 108 TYR HB2 H 2.607 0.020 2
1018 115 108 TYR HB3 H 3.500 0.020 2
1019 115 108 TYR HD1 H 7.152 0.020 1
1020 115 108 TYR HD2 H 7.152 0.020 1
1021 115 108 TYR HE1 H 6.292 0.020 1
1022 115 108 TYR HE2 H 6.292 0.020 1
1023 115 108 TYR C C 174.440 0.100 1
1024 115 108 TYR CA C 57.916 0.100 1
1025 115 108 TYR CB C 40.938 0.100 1
1026 115 108 TYR CD1 C 134.002 0.100 1
1027 115 108 TYR CE1 C 118.025 0.100 1
1028 115 108 TYR N N 116.660 0.100 1
1029 116 109 LYS H H 8.839 0.020 1
1030 116 109 LYS HA H 4.392 0.020 1
1031 116 109 LYS HB3 H 1.735 0.020 2
1032 116 109 LYS HG2 H 1.418 0.020 1
1033 116 109 LYS HG3 H 1.418 0.020 1
1034 116 109 LYS HD2 H 1.777 0.020 2
1035 116 109 LYS HD3 H 1.705 0.020 2
1036 116 109 LYS HE2 H 3.042 0.020 2
1037 116 109 LYS HE3 H 3.074 0.020 2
1038 116 109 LYS C C 176.985 0.100 1
1039 116 109 LYS CA C 56.951 0.100 1
1040 116 109 LYS CB C 34.825 0.100 1
1041 116 109 LYS CG C 25.081 0.100 1
1042 116 109 LYS CD C 29.384 0.100 1
1043 116 109 LYS CE C 42.362 0.100 1
1044 116 109 LYS N N 120.321 0.100 1
1045 117 110 SER H H 7.681 0.020 1
1046 117 110 SER HA H 4.704 0.020 1
1047 117 110 SER HB2 H 3.802 0.020 1
1048 117 110 SER HB3 H 3.802 0.020 1
1049 117 110 SER C C 173.499 0.100 1
1050 117 110 SER CA C 57.270 0.100 1
1051 117 110 SER CB C 65.152 0.100 1
1052 117 110 SER N N 110.754 0.100 1
1053 118 111 PHE H H 9.373 0.020 1
1054 118 111 PHE HA H 4.758 0.020 1
1055 118 111 PHE HB2 H 2.448 0.020 2
1056 118 111 PHE HB3 H 3.290 0.020 2
1057 118 111 PHE HD1 H 6.719 0.020 1
1058 118 111 PHE HD2 H 6.719 0.020 1
1059 118 111 PHE HE1 H 6.600 0.020 1
1060 118 111 PHE HE2 H 6.600 0.020 1
1061 118 111 PHE HZ H 6.711 0.020 1
1062 118 111 PHE C C 172.295 0.100 1
1063 118 111 PHE CA C 59.987 0.100 1
1064 118 111 PHE CB C 43.330 0.100 1
1065 118 111 PHE CD1 C 131.323 0.100 1
1066 118 111 PHE CE1 C 130.778 0.100 1
1067 118 111 PHE CZ C 129.154 0.100 1
1068 118 111 PHE N N 129.514 0.100 1
1069 119 112 LEU H H 8.917 0.020 1
1070 119 112 LEU HA H 5.322 0.020 1
1071 119 112 LEU HB2 H 1.713 0.020 2
1072 119 112 LEU HB3 H 1.599 0.020 2
1073 119 112 LEU HG H 1.630 0.020 1
1074 119 112 LEU HD1 H 0.874 0.020 2
1075 119 112 LEU HD2 H 0.900 0.020 2
1076 119 112 LEU C C 174.640 0.100 1
1077 119 112 LEU CA C 54.200 0.100 1
1078 119 112 LEU CB C 46.932 0.100 1
1079 119 112 LEU CG C 27.640 0.100 1
1080 119 112 LEU CD1 C 25.367 0.100 1
1081 119 112 LEU N N 131.949 0.100 1
1082 120 113 LEU H H 9.584 0.020 1
1083 120 113 LEU HA H 5.753 0.020 1
1084 120 113 LEU HB2 H 2.061 0.020 1
1085 120 113 LEU HB3 H 2.061 0.020 1
1086 120 113 LEU HG H 2.349 0.020 1
1087 120 113 LEU HD1 H 1.257 0.020 2
1088 120 113 LEU HD2 H 1.231 0.020 2
1089 120 113 LEU C C 174.747 0.100 1
1090 120 113 LEU CA C 54.160 0.100 1
1091 120 113 LEU CB C 46.502 0.100 1
1092 120 113 LEU CG C 26.636 0.100 1
1093 120 113 LEU CD1 C 28.414 0.100 1
1094 120 113 LEU CD2 C 28.366 0.100 1
1095 120 113 LEU N N 121.753 0.100 1
1096 121 114 THR H H 9.641 0.020 1
1097 121 114 THR HA H 5.607 0.020 1
1098 121 114 THR HB H 4.052 0.020 1
1099 121 114 THR HG2 H 1.199 0.020 1
1100 121 114 THR C C 174.155 0.100 1
1101 121 114 THR CA C 62.009 0.100 1
1102 121 114 THR CB C 72.187 0.100 1
1103 121 114 THR CG2 C 21.945 0.100 1
1104 121 114 THR N N 120.950 0.100 1
1105 122 115 ILE H H 9.145 0.020 1
1106 122 115 ILE HA H 5.086 0.020 1
1107 122 115 ILE HB H 1.225 0.020 1
1108 122 115 ILE HG12 H 1.503 0.020 2
1109 122 115 ILE HG13 H 0.573 0.020 2
1110 122 115 ILE HG2 H -0.038 0.020 1
1111 122 115 ILE HD1 H 0.671 0.020 1
1112 122 115 ILE C C 174.162 0.100 1
1113 122 115 ILE CA C 59.192 0.100 1
1114 122 115 ILE CB C 42.134 0.100 1
1115 122 115 ILE CG1 C 26.660 0.100 1
1116 122 115 ILE CG2 C 17.227 0.100 1
1117 122 115 ILE CD1 C 14.371 0.100 1
1118 122 115 ILE N N 122.636 0.100 1
1119 123 116 GLN H H 8.152 0.020 1
1120 123 116 GLN HA H 5.716 0.020 1
1121 123 116 GLN HB2 H 1.901 0.020 2
1122 123 116 GLN HB3 H 2.120 0.020 2
1123 123 116 GLN HG2 H 2.210 0.020 2
1124 123 116 GLN HG3 H 2.653 0.020 2
1125 123 116 GLN HE21 H 6.932 0.020 2
1126 123 116 GLN HE22 H 7.819 0.020 2
1127 123 116 GLN CA C 54.434 0.100 1
1128 123 116 GLN CB C 32.522 0.100 1
1129 123 116 GLN CG C 34.079 0.100 1
1130 123 116 GLN N N 121.887 0.100 1
1131 123 116 GLN NE2 N 111.343 0.100 1
1132 124 117 VAL H H 7.729 0.020 1
1133 124 117 VAL HA H 5.165 0.020 1
1134 124 117 VAL HB H 1.446 0.020 1
1135 124 117 VAL HG1 H 0.642 0.020 2
1136 124 117 VAL HG2 H -0.042 0.020 2
1137 124 117 VAL C C 175.588 0.100 1
1138 124 117 VAL CA C 61.893 0.100 1
1139 124 117 VAL CB C 34.487 0.100 1
1140 124 117 VAL CG1 C 21.165 0.100 1
1141 124 117 VAL CG2 C 20.857 0.100 1
1142 124 117 VAL N N 127.319 0.100 1
1143 125 118 THR H H 8.852 0.020 1
1144 125 118 THR HA H 5.080 0.020 1
1145 125 118 THR HB H 4.389 0.020 1
1146 125 118 THR HG2 H 1.311 0.020 1
1147 125 118 THR C C 175.655 0.100 1
1148 125 118 THR CA C 58.527 0.100 1
1149 125 118 THR CB C 71.038 0.100 1
1150 125 118 THR CG2 C 22.083 0.100 1
1151 125 118 THR N N 119.291 0.100 1
1152 126 119 PRO HA H 4.762 0.020 1
1153 126 119 PRO HB2 H 2.614 0.020 2
1154 126 119 PRO HB3 H 1.948 0.020 2
1155 126 119 PRO HG2 H 2.078 0.020 2
1156 126 119 PRO HG3 H 2.208 0.020 2
1157 126 119 PRO HD3 H 3.796 0.020 2
1158 126 119 PRO C C 177.014 0.100 1
1159 126 119 PRO CA C 63.418 0.100 1
1160 126 119 PRO CB C 32.508 0.100 1
1161 126 119 PRO CG C 27.795 0.100 1
1162 126 119 PRO CD C 51.095 0.100 1
1163 127 120 LYS H H 8.283 0.020 1
1164 127 120 LYS HA H 4.400 0.020 1
1165 127 120 LYS HB2 H 1.361 0.020 2
1166 127 120 LYS HB3 H 1.813 0.020 2
1167 127 120 LYS HG2 H 1.282 0.020 2
1168 127 120 LYS HD2 H 1.559 0.020 1
1169 127 120 LYS HD3 H 1.559 0.020 1
1170 127 120 LYS HE3 H 2.907 0.020 2
1171 127 120 LYS C C 175.126 0.100 1
1172 127 120 LYS CA C 55.004 0.100 1
1173 127 120 LYS CB C 33.195 0.100 1
1174 127 120 LYS CG C 25.660 0.100 1
1175 127 120 LYS CD C 29.896 0.100 1
1176 127 120 LYS N N 126.383 0.100 1
1177 128 121 PRO HA H 4.501 0.020 1
1178 128 121 PRO HB2 H 2.359 0.020 2
1179 128 121 PRO HB3 H 2.016 0.020 2
1180 128 121 PRO HG2 H 2.078 0.020 2
1181 128 121 PRO HG3 H 2.209 0.020 2
1182 128 121 PRO HD2 H 4.017 0.020 2
1183 128 121 PRO HD3 H 3.744 0.020 2
1184 128 121 PRO C C 178.706 0.100 1
1185 128 121 PRO CA C 64.005 0.100 1
1186 128 121 PRO CB C 31.508 0.100 1
1187 128 121 PRO CG C 27.795 0.100 1
1188 128 121 PRO CD C 51.065 0.100 1
1189 129 122 GLY H H 8.539 0.020 1
1190 129 122 GLY HA3 H 4.001 0.020 2
1191 129 122 GLY C C 174.302 0.100 1
1192 129 122 GLY CA C 45.750 0.100 1
1193 129 122 GLY N N 110.077 0.100 1
1194 130 123 GLY H H 7.575 0.020 1
1195 130 123 GLY HA2 H 4.343 0.020 2
1196 130 123 GLY HA3 H 4.059 0.020 2
1197 130 123 GLY C C 169.784 0.100 1
1198 130 123 GLY CA C 45.361 0.100 1
1199 130 123 GLY N N 108.051 0.100 1
1200 131 124 PRO HA H 4.715 0.020 1
1201 131 124 PRO HB2 H 2.381 0.020 2
1202 131 124 PRO HB3 H 2.173 0.020 2
1203 131 124 PRO HG2 H 2.049 0.020 2
1204 131 124 PRO HG3 H 2.096 0.020 2
1205 131 124 PRO HD2 H 3.648 0.020 1
1206 131 124 PRO HD3 H 3.648 0.020 1
1207 131 124 PRO C C 177.281 0.100 1
1208 131 124 PRO CA C 63.271 0.100 1
1209 131 124 PRO CB C 33.068 0.100 1
1210 131 124 PRO CG C 27.307 0.100 1
1211 131 124 PRO CD C 49.633 0.100 1
1212 132 125 GLY H H 8.462 0.020 1
1213 132 125 GLY HA2 H 4.516 0.020 2
1214 132 125 GLY HA3 H 3.858 0.020 2
1215 132 125 GLY C C 175.191 0.100 1
1216 132 125 GLY CA C 44.493 0.100 1
1217 132 125 GLY N N 107.890 0.100 1
1218 133 126 SER H H 8.226 0.020 1
1219 133 126 SER HA H 5.258 0.020 1
1220 133 126 SER HB2 H 3.707 0.020 2
1221 133 126 SER HB3 H 3.381 0.020 2
1222 133 126 SER C C 171.727 0.100 1
1223 133 126 SER CA C 58.867 0.100 1
1224 133 126 SER CB C 67.219 0.100 1
1225 133 126 SER N N 114.019 0.100 1
1226 134 127 ILE H H 9.226 0.020 1
1227 134 127 ILE HA H 4.455 0.020 1
1228 134 127 ILE HB H 1.703 0.020 1
1229 134 127 ILE HG12 H 1.136 0.020 2
1230 134 127 ILE HG13 H 1.479 0.020 2
1231 134 127 ILE HG2 H 0.591 0.020 1
1232 134 127 ILE HD1 H 0.909 0.020 1
1233 134 127 ILE C C 175.234 0.100 1
1234 134 127 ILE CA C 60.018 0.100 1
1235 134 127 ILE CB C 39.804 0.100 1
1236 134 127 ILE CG1 C 27.795 0.100 1
1237 134 127 ILE CG2 C 18.084 0.100 1
1238 134 127 ILE CD1 C 12.724 0.100 1
1239 134 127 ILE N N 120.950 0.100 1
1240 135 128 VAL H H 9.422 0.020 1
1241 135 128 VAL HA H 4.234 0.020 1
1242 135 128 VAL HB H 2.367 0.020 1
1243 135 128 VAL HG1 H 0.863 0.020 2
1244 135 128 VAL HG2 H 0.251 0.020 2
1245 135 128 VAL C C 175.285 0.100 1
1246 135 128 VAL CA C 61.595 0.100 1
1247 135 128 VAL CB C 32.122 0.100 1
1248 135 128 VAL CG1 C 21.783 0.100 1
1249 135 128 VAL CG2 C 22.082 0.100 1
1250 135 128 VAL N N 127.239 0.100 1
1251 136 129 HIS H H 9.397 0.020 1
1252 136 129 HIS HA H 5.508 0.020 1
1253 136 129 HIS HB2 H 3.337 0.020 1
1254 136 129 HIS HB3 H 3.337 0.020 1
1255 136 129 HIS HD2 H 7.273 0.020 1
1256 136 129 HIS HE1 H 8.602 0.020 1
1257 136 129 HIS C C 174.874 0.100 1
1258 136 129 HIS CA C 55.220 0.100 1
1259 136 129 HIS CB C 29.690 0.100 1
1260 136 129 HIS CD2 C 121.082 0.100 1
1261 136 129 HIS CE1 C 136.448 0.100 1
1262 136 129 HIS N N 127.239 0.100 1
1263 137 130 TRP H H 9.364 0.020 1
1264 137 130 TRP HA H 4.976 0.020 1
1265 137 130 TRP HB2 H 3.265 0.020 2
1266 137 130 TRP HB3 H 3.130 0.020 2
1267 137 130 TRP HD1 H 7.147 0.020 1
1268 137 130 TRP HE1 H 8.559 0.020 1
1269 137 130 TRP HE3 H 7.512 0.020 1
1270 137 130 TRP HZ2 H 7.126 0.020 1
1271 137 130 TRP HZ3 H 7.082 0.020 1
1272 137 130 TRP HH2 H 6.528 0.020 1
1273 137 130 TRP C C 176.195 0.100 1
1274 137 130 TRP CA C 57.257 0.100 1
1275 137 130 TRP CB C 31.514 0.100 1
1276 137 130 TRP CD1 C 125.646 0.100 1
1277 137 130 TRP CE3 C 120.483 0.100 1
1278 137 130 TRP CZ2 C 114.045 0.100 1
1279 137 130 TRP CZ3 C 122.120 0.100 1
1280 137 130 TRP CH2 C 123.791 0.100 1
1281 137 130 TRP N N 127.386 0.100 1
1282 137 130 TRP NE1 N 125.285 0.100 1
1283 138 131 HIS H H 9.088 0.020 1
1284 138 131 HIS HA H 5.447 0.020 1
1285 138 131 HIS HB2 H 3.402 0.020 2
1286 138 131 HIS HB3 H 3.229 0.020 2
1287 138 131 HIS HD2 H 7.145 0.020 1
1288 138 131 HIS C C 173.701 0.100 1
1289 138 131 HIS CA C 55.756 0.100 1
1290 138 131 HIS CB C 31.514 0.100 1
1291 138 131 HIS CD2 C 120.782 0.100 1
1292 138 131 HIS N N 120.816 0.100 1
1293 139 132 LEU H H 9.593 0.020 1
1294 139 132 LEU HA H 5.289 0.020 1
1295 139 132 LEU HB2 H 1.384 0.020 2
1296 139 132 LEU HB3 H 1.886 0.020 2
1297 139 132 LEU HG H 1.259 0.020 1
1298 139 132 LEU HD2 H 1.051 0.020 2
1299 139 132 LEU C C 175.962 0.100 1
1300 139 132 LEU CA C 53.922 0.100 1
1301 139 132 LEU CB C 43.977 0.100 1
1302 139 132 LEU CG C 25.938 0.100 1
1303 139 132 LEU CD1 C 26.337 0.100 1
1304 139 132 LEU CD2 C 27.307 0.100 1
1305 139 132 LEU N N 127.721 0.100 1
1306 140 133 GLU H H 8.820 0.020 1
1307 140 133 GLU HA H 4.767 0.020 1
1308 140 133 GLU HB3 H 1.850 0.020 2
1309 140 133 GLU HG2 H 2.091 0.020 1
1310 140 133 GLU HG3 H 2.091 0.020 1
1311 140 133 GLU C C 174.688 0.100 1
1312 140 133 GLU CA C 55.662 0.100 1
1313 140 133 GLU CB C 32.663 0.100 1
1314 140 133 GLU CG C 36.364 0.100 1
1315 140 133 GLU N N 120.254 0.100 1
1316 141 134 TYR H H 8.022 0.020 1
1317 141 134 TYR HA H 5.255 0.020 1
1318 141 134 TYR HB2 H 1.961 0.020 2
1319 141 134 TYR HB3 H 2.829 0.020 2
1320 141 134 TYR HD1 H 6.432 0.020 1
1321 141 134 TYR HD2 H 6.432 0.020 1
1322 141 134 TYR HE1 H 6.408 0.020 1
1323 141 134 TYR HE2 H 6.408 0.020 1
1324 141 134 TYR C C 173.836 0.100 1
1325 141 134 TYR CA C 55.127 0.100 1
1326 141 134 TYR CB C 42.648 0.100 1
1327 141 134 TYR CD1 C 133.912 0.100 1
1328 141 134 TYR CE1 C 117.033 0.100 1
1329 141 134 TYR N N 121.566 0.100 1
1330 142 135 GLU H H 8.307 0.020 1
1331 142 135 GLU HA H 5.250 0.020 1
1332 142 135 GLU HB2 H 1.993 0.020 2
1333 142 135 GLU HB3 H 2.059 0.020 2
1334 142 135 GLU HG2 H 2.241 0.020 1
1335 142 135 GLU HG3 H 2.241 0.020 1
1336 142 135 GLU C C 177.199 0.100 1
1337 142 135 GLU CA C 55.120 0.100 1
1338 142 135 GLU CB C 33.357 0.100 1
1339 142 135 GLU CG C 36.571 0.100 1
1340 142 135 GLU N N 118.996 0.100 1
1341 143 136 LYS H H 9.698 0.020 1
1342 143 136 LYS HA H 4.502 0.020 1
1343 143 136 LYS HB3 H 1.875 0.020 2
1344 143 136 LYS HG2 H 1.441 0.020 2
1345 143 136 LYS HG3 H 2.034 0.020 2
1346 143 136 LYS HD2 H 1.829 0.020 2
1347 143 136 LYS HD3 H 1.868 0.020 2
1348 143 136 LYS HE2 H 3.233 0.020 2
1349 143 136 LYS HE3 H 2.938 0.020 2
1350 143 136 LYS C C 176.339 0.100 1
1351 143 136 LYS CA C 57.822 0.100 1
1352 143 136 LYS CB C 35.162 0.100 1
1353 143 136 LYS CG C 26.510 0.100 1
1354 143 136 LYS CD C 30.508 0.100 1
1355 143 136 LYS CE C 42.773 0.100 1
1356 143 136 LYS N N 127.748 0.100 1
1357 144 137 ILE H H 8.567 0.020 1
1358 144 137 ILE HA H 3.725 0.020 1
1359 144 137 ILE HB H 1.387 0.020 1
1360 144 137 ILE HG12 H 0.933 0.020 2
1361 144 137 ILE HG13 H 1.312 0.020 2
1362 144 137 ILE HG2 H 0.915 0.020 1
1363 144 137 ILE HD1 H 0.690 0.020 1
1364 144 137 ILE C C 175.914 0.100 1
1365 144 137 ILE CA C 65.879 0.100 1
1366 144 137 ILE CB C 39.419 0.100 1
1367 144 137 ILE CG1 C 30.223 0.100 1
1368 144 137 ILE CG2 C 16.877 0.100 1
1369 144 137 ILE CD1 C 13.615 0.100 1
1370 144 137 ILE N N 121.432 0.100 1
1371 145 138 SER H H 7.209 0.020 1
1372 145 138 SER HA H 4.513 0.020 1
1373 145 138 SER HB2 H 4.257 0.020 2
1374 145 138 SER HB3 H 4.048 0.020 2
1375 145 138 SER C C 173.909 0.100 1
1376 145 138 SER CA C 56.963 0.100 1
1377 145 138 SER CB C 65.768 0.100 1
1378 145 138 SER N N 108.452 0.100 1
1379 146 139 GLU H H 9.210 0.020 1
1380 146 139 GLU HA H 4.216 0.020 1
1381 146 139 GLU HB2 H 2.063 0.020 2
1382 146 139 GLU HB3 H 2.141 0.020 2
1383 146 139 GLU HG3 H 2.395 0.020 2
1384 146 139 GLU C C 177.985 0.100 1
1385 146 139 GLU CA C 58.898 0.100 1
1386 146 139 GLU CB C 30.096 0.100 1
1387 146 139 GLU CG C 36.221 0.100 1
1388 146 139 GLU N N 120.495 0.100 1
1389 147 140 GLU H H 8.380 0.020 1
1390 147 140 GLU HA H 4.401 0.020 1
1391 147 140 GLU HB2 H 2.162 0.020 2
1392 147 140 GLU HB3 H 2.010 0.020 2
1393 147 140 GLU C C 177.840 0.100 1
1394 147 140 GLU CA C 58.740 0.100 1
1395 147 140 GLU CB C 30.224 0.100 1
1396 147 140 GLU N N 115.491 0.100 1
1397 148 141 VAL H H 7.070 0.020 1
1398 148 141 VAL HA H 4.234 0.020 1
1399 148 141 VAL HB H 2.188 0.020 1
1400 148 141 VAL HG1 H 0.894 0.020 2
1401 148 141 VAL HG2 H 0.969 0.020 2
1402 148 141 VAL C C 174.764 0.100 1
1403 148 141 VAL CA C 62.464 0.100 1
1404 148 141 VAL CB C 33.474 0.100 1
1405 148 141 VAL CG1 C 23.368 0.100 1
1406 148 141 VAL CG2 C 21.374 0.100 1
1407 148 141 VAL N N 112.841 0.100 1
1408 149 142 ALA H H 6.989 0.020 1
1409 149 142 ALA HA H 4.408 0.020 1
1410 149 142 ALA HB H 1.294 0.020 1
1411 149 142 ALA C C 176.930 0.100 1
1412 149 142 ALA CA C 51.524 0.100 1
1413 149 142 ALA CB C 20.704 0.100 1
1414 149 142 ALA N N 121.940 0.100 1
1415 150 143 HIS H H 8.600 0.020 1
1416 150 143 HIS HA H 5.211 0.020 1
1417 150 143 HIS HB2 H 3.248 0.020 2
1418 150 143 HIS HB3 H 3.300 0.020 2
1419 150 143 HIS HD2 H 7.145 0.020 1
1420 150 143 HIS HE1 H 8.251 0.020 1
1421 150 143 HIS C C 173.613 0.100 1
1422 150 143 HIS CA C 53.829 0.100 1
1423 150 143 HIS CB C 29.249 0.100 1
1424 150 143 HIS CD2 C 120.782 0.100 1
1425 150 143 HIS CE1 C 136.983 0.100 1
1426 150 143 HIS N N 118.488 0.100 1
1427 151 144 PRO HA H 4.324 0.020 1
1428 151 144 PRO HB2 H 2.005 0.020 2
1429 151 144 PRO HB3 H 2.104 0.020 2
1430 151 144 PRO HG2 H 1.997 0.020 2
1431 151 144 PRO HG3 H 2.235 0.020 2
1432 151 144 PRO HD2 H 3.901 0.020 2
1433 151 144 PRO HD3 H 3.450 0.020 2
1434 151 144 PRO C C 177.922 0.100 1
1435 151 144 PRO CA C 65.055 0.100 1
1436 151 144 PRO CB C 31.651 0.100 1
1437 151 144 PRO CG C 27.866 0.100 1
1438 151 144 PRO CD C 50.585 0.100 1
1439 152 145 GLU H H 10.203 0.020 1
1440 152 145 GLU HA H 4.379 0.020 1
1441 152 145 GLU HB2 H 2.238 0.020 1
1442 152 145 GLU HB3 H 2.238 0.020 1
1443 152 145 GLU HG2 H 2.385 0.020 2
1444 152 145 GLU HG3 H 2.611 0.020 2
1445 152 145 GLU C C 178.772 0.100 1
1446 152 145 GLU CA C 59.583 0.100 1
1447 152 145 GLU CB C 27.866 0.100 1
1448 152 145 GLU CG C 36.043 0.100 1
1449 152 145 GLU N N 120.709 0.100 1
1450 153 146 THR H H 8.234 0.020 1
1451 153 146 THR HA H 4.528 0.020 1
1452 153 146 THR HB H 4.527 0.020 1
1453 153 146 THR HG2 H 1.330 0.020 1
1454 153 146 THR C C 176.938 0.100 1
1455 153 146 THR CA C 63.757 0.100 1
1456 153 146 THR CB C 69.147 0.100 1
1457 153 146 THR CG2 C 22.082 0.100 1
1458 153 146 THR N N 112.948 0.100 1
1459 154 147 LEU H H 7.803 0.020 1
1460 154 147 LEU HA H 4.145 0.020 1
1461 154 147 LEU HB2 H 1.218 0.020 2
1462 154 147 LEU HB3 H 2.008 0.020 2
1463 154 147 LEU HG H 1.622 0.020 1
1464 154 147 LEU HD1 H 0.502 0.020 2
1465 154 147 LEU HD2 H 0.549 0.020 2
1466 154 147 LEU C C 179.064 0.100 1
1467 154 147 LEU CA C 57.462 0.100 1
1468 154 147 LEU CB C 42.061 0.100 1
1469 154 147 LEU CG C 27.640 0.100 1
1470 154 147 LEU CD1 C 25.665 0.100 1
1471 154 147 LEU CD2 C 22.466 0.100 1
1472 154 147 LEU N N 122.690 0.100 1
1473 155 148 LEU H H 7.884 0.020 1
1474 155 148 LEU HA H 3.905 0.020 1
1475 155 148 LEU HB2 H 1.725 0.020 2
1476 155 148 LEU HB3 H 1.809 0.020 2
1477 155 148 LEU HG H 1.714 0.020 1
1478 155 148 LEU HD1 H 1.025 0.020 2
1479 155 148 LEU HD2 H 0.954 0.020 2
1480 155 148 LEU C C 179.101 0.100 1
1481 155 148 LEU CA C 59.362 0.100 1
1482 155 148 LEU CB C 41.293 0.100 1
1483 155 148 LEU CG C 27.605 0.100 1
1484 155 148 LEU CD1 C 25.042 0.100 1
1485 155 148 LEU CD2 C 24.219 0.100 1
1486 155 148 LEU N N 120.174 0.100 1
1487 156 149 GLN H H 7.665 0.020 1
1488 156 149 GLN HA H 4.004 0.020 1
1489 156 149 GLN HB2 H 2.276 0.020 1
1490 156 149 GLN HB3 H 2.276 0.020 1
1491 156 149 GLN HG2 H 2.614 0.020 1
1492 156 149 GLN HG3 H 2.614 0.020 1
1493 156 149 GLN HE21 H 7.013 0.020 2
1494 156 149 GLN HE22 H 7.746 0.020 2
1495 156 149 GLN C C 177.819 0.100 1
1496 156 149 GLN CA C 58.849 0.100 1
1497 156 149 GLN CB C 28.123 0.100 1
1498 156 149 GLN CG C 34.340 0.100 1
1499 156 149 GLN N N 116.828 0.100 1
1500 156 149 GLN NE2 N 111.744 0.100 1
1501 157 150 PHE H H 7.445 0.020 1
1502 157 150 PHE HA H 4.110 0.020 1
1503 157 150 PHE HB2 H 3.073 0.020 2
1504 157 150 PHE HB3 H 3.311 0.020 2
1505 157 150 PHE HD1 H 6.804 0.020 1
1506 157 150 PHE HD2 H 6.804 0.020 1
1507 157 150 PHE HE1 H 6.832 0.020 1
1508 157 150 PHE HE2 H 6.832 0.020 1
1509 157 150 PHE C C 175.646 0.100 1
1510 157 150 PHE CA C 61.340 0.100 1
1511 157 150 PHE CB C 38.413 0.100 1
1512 157 150 PHE CD1 C 131.961 0.100 1
1513 157 150 PHE CE1 C 130.592 0.100 1
1514 157 150 PHE N N 120.977 0.100 1
1515 158 151 CYS H H 7.249 0.020 1
1516 158 151 CYS HA H 2.173 0.020 1
1517 158 151 CYS HB2 H 0.548 0.020 2
1518 158 151 CYS HB3 H 2.431 0.020 2
1519 158 151 CYS C C 178.631 0.100 1
1520 158 151 CYS CA C 62.421 0.100 1
1521 158 151 CYS CB C 26.042 0.100 1
1522 158 151 CYS N N 116.053 0.100 1
1523 159 152 VAL H H 7.721 0.020 1
1524 159 152 VAL HA H 3.486 0.020 1
1525 159 152 VAL HB H 2.273 0.020 1
1526 159 152 VAL HG1 H 1.073 0.020 2
1527 159 152 VAL HG2 H 1.036 0.020 2
1528 159 152 VAL C C 178.156 0.100 1
1529 159 152 VAL CA C 67.798 0.100 1
1530 159 152 VAL CB C 32.595 0.100 1
1531 159 152 VAL CG1 C 23.101 0.100 1
1532 159 152 VAL CG2 C 21.232 0.100 1
1533 159 152 VAL N N 123.412 0.100 1
1534 160 153 GLU H H 8.584 0.020 1
1535 160 153 GLU HA H 4.111 0.020 1
1536 160 153 GLU HB2 H 2.237 0.020 1
1537 160 153 GLU HB3 H 2.237 0.020 1
1538 160 153 GLU HG2 H 2.659 0.020 2
1539 160 153 GLU HG3 H 2.792 0.020 2
1540 160 153 GLU C C 180.850 0.100 1
1541 160 153 GLU CA C 59.666 0.100 1
1542 160 153 GLU CB C 29.285 0.100 1
1543 160 153 GLU CG C 36.396 0.100 1
1544 160 153 GLU N N 120.682 0.100 1
1545 161 154 VAL H H 8.331 0.020 1
1546 161 154 VAL HA H 3.475 0.020 1
1547 161 154 VAL HB H 1.329 0.020 1
1548 161 154 VAL HG1 H 0.031 0.020 2
1549 161 154 VAL HG2 H -0.203 0.020 2
1550 161 154 VAL C C 178.860 0.100 1
1551 161 154 VAL CA C 66.861 0.100 1
1552 161 154 VAL CB C 30.781 0.100 1
1553 161 154 VAL CG1 C 21.517 0.100 1
1554 161 154 VAL CG2 C 23.009 0.100 1
1555 161 154 VAL N N 119.344 0.100 1
1556 162 155 SER H H 7.849 0.020 1
1557 162 155 SER HA H 4.306 0.020 1
1558 162 155 SER HB2 H 3.731 0.020 1
1559 162 155 SER HB3 H 3.731 0.020 1
1560 162 155 SER HG H 5.245 0.020 1
1561 162 155 SER C C 174.992 0.100 1
1562 162 155 SER CA C 64.741 0.100 1
1563 162 155 SER CB C 64.253 0.100 1
1564 162 155 SER N N 117.035 0.100 1
1565 163 156 LYS H H 7.709 0.020 1
1566 163 156 LYS HA H 4.285 0.020 1
1567 163 156 LYS HB2 H 2.107 0.020 1
1568 163 156 LYS HB3 H 2.107 0.020 1
1569 163 156 LYS HG2 H 1.538 0.020 2
1570 163 156 LYS HG3 H 1.747 0.020 2
1571 163 156 LYS HD2 H 1.551 0.020 2
1572 163 156 LYS HD3 H 1.825 0.020 2
1573 163 156 LYS HE2 H 3.092 0.020 1
1574 163 156 LYS HE3 H 3.092 0.020 1
1575 163 156 LYS C C 178.799 0.100 1
1576 163 156 LYS CA C 59.869 0.100 1
1577 163 156 LYS CB C 32.798 0.100 1
1578 163 156 LYS CG C 25.075 0.100 1
1579 163 156 LYS CD C 29.713 0.100 1
1580 163 156 LYS CE C 42.460 0.100 1
1581 163 156 LYS N N 120.188 0.100 1
1582 164 157 GLU H H 7.363 0.020 1
1583 164 157 GLU HA H 4.364 0.020 1
1584 164 157 GLU HB2 H 2.344 0.020 1
1585 164 157 GLU HB3 H 2.344 0.020 1
1586 164 157 GLU HG2 H 2.761 0.020 1
1587 164 157 GLU HG3 H 2.761 0.020 1
1588 164 157 GLU C C 180.318 0.100 1
1589 164 157 GLU CA C 58.945 0.100 1
1590 164 157 GLU CB C 29.150 0.100 1
1591 164 157 GLU CG C 34.936 0.100 1
1592 164 157 GLU N N 119.023 0.100 1
1593 165 158 ILE H H 8.486 0.020 1
1594 165 158 ILE HA H 3.734 0.020 1
1595 165 158 ILE HB H 2.146 0.020 1
1596 165 158 ILE HG12 H 1.036 0.020 2
1597 165 158 ILE HG13 H 1.911 0.020 2
1598 165 158 ILE HG2 H 0.809 0.020 1
1599 165 158 ILE HD1 H 1.005 0.020 1
1600 165 158 ILE C C 177.691 0.100 1
1601 165 158 ILE CA C 66.528 0.100 1
1602 165 158 ILE CB C 38.879 0.100 1
1603 165 158 ILE CG1 C 29.509 0.100 1
1604 165 158 ILE CG2 C 13.706 0.100 1
1605 165 158 ILE CD1 C 17.067 0.100 1
1606 165 158 ILE N N 121.191 0.100 1
1607 166 159 ASP H H 8.340 0.020 1
1608 166 159 ASP HA H 4.632 0.020 1
1609 166 159 ASP HB2 H 2.893 0.020 2
1610 166 159 ASP HB3 H 3.004 0.020 2
1611 166 159 ASP C C 178.632 0.100 1
1612 166 159 ASP CA C 57.627 0.100 1
1613 166 159 ASP CB C 42.662 0.100 1
1614 166 159 ASP N N 119.692 0.100 1
1615 167 160 GLU H H 8.299 0.020 1
1616 167 160 GLU HA H 4.017 0.020 1
1617 167 160 GLU HB2 H 2.065 0.020 2
1618 167 160 GLU HB3 H 2.158 0.020 2
1619 167 160 GLU HG2 H 2.401 0.020 2
1620 167 160 GLU HG3 H 2.568 0.020 2
1621 167 160 GLU C C 179.874 0.100 1
1622 167 160 GLU CA C 59.677 0.100 1
1623 167 160 GLU CB C 29.832 0.100 1
1624 167 160 GLU CG C 36.961 0.100 1
1625 167 160 GLU N N 114.527 0.100 1
1626 168 161 HIS H H 8.093 0.020 1
1627 168 161 HIS HA H 4.538 0.020 1
1628 168 161 HIS HB2 H 3.431 0.020 1
1629 168 161 HIS HB3 H 3.431 0.020 1
1630 168 161 HIS HD2 H 7.406 0.020 1
1631 168 161 HIS HE1 H 8.348 0.020 1
1632 168 161 HIS C C 177.437 0.100 1
1633 168 161 HIS CA C 59.181 0.100 1
1634 168 161 HIS CB C 29.882 0.100 1
1635 168 161 HIS CD2 C 121.832 0.100 1
1636 168 161 HIS CE1 C 137.668 0.100 1
1637 168 161 HIS N N 117.016 0.100 1
1638 169 162 LEU H H 8.364 0.020 1
1639 169 162 LEU HA H 4.157 0.020 1
1640 169 162 LEU HB2 H 1.350 0.020 2
1641 169 162 LEU HB3 H 2.150 0.020 2
1642 169 162 LEU HG H 2.098 0.020 1
1643 169 162 LEU HD1 H 0.815 0.020 2
1644 169 162 LEU HD2 H 0.875 0.020 2
1645 169 162 LEU C C 179.331 0.100 1
1646 169 162 LEU CA C 57.417 0.100 1
1647 169 162 LEU CB C 42.452 0.100 1
1648 169 162 LEU CG C 26.619 0.100 1
1649 169 162 LEU CD1 C 23.193 0.100 1
1650 169 162 LEU CD2 C 26.652 0.100 1
1651 169 162 LEU N N 118.889 0.100 1
1652 170 163 LEU H H 8.331 0.020 1
1653 170 163 LEU HA H 4.274 0.020 1
1654 170 163 LEU HB2 H 1.597 0.020 2
1655 170 163 LEU HB3 H 1.844 0.020 2
1656 170 163 LEU HG H 1.951 0.020 1
1657 170 163 LEU HD1 H 0.873 0.020 2
1658 170 163 LEU HD2 H 0.836 0.020 2
1659 170 163 LEU C C 177.877 0.100 1
1660 170 163 LEU CA C 56.130 0.100 1
1661 170 163 LEU CB C 42.232 0.100 1
1662 170 163 LEU CG C 26.899 0.100 1
1663 170 163 LEU CD1 C 26.367 0.100 1
1664 170 163 LEU CD2 C 23.003 0.100 1
1665 170 163 LEU N N 118.033 0.100 1
1666 171 164 ALA H H 7.266 0.020 1
1667 171 164 ALA HA H 4.346 0.020 1
1668 171 164 ALA HB H 1.509 0.020 1
1669 171 164 ALA C C 177.865 0.100 1
1670 171 164 ALA CA C 53.205 0.100 1
1671 171 164 ALA CB C 19.691 0.100 1
1672 171 164 ALA N N 121.244 0.100 1
1673 172 165 GLU H H 7.883 0.020 1
1674 172 165 GLU HA H 4.357 0.020 1
1675 172 165 GLU HB2 H 1.978 0.020 2
1676 172 165 GLU HB3 H 2.131 0.020 2
1677 172 165 GLU HG2 H 2.339 0.020 1
1678 172 165 GLU HG3 H 2.339 0.020 1
1679 172 165 GLU C C 175.847 0.100 1
1680 172 165 GLU CA C 56.428 0.100 1
1681 172 165 GLU CB C 31.190 0.100 1
1682 172 165 GLU CG C 36.367 0.100 1
1683 172 165 GLU N N 119.679 0.100 1
1684 173 166 GLU H H 8.030 0.020 1
1685 173 166 GLU HA H 4.170 0.020 1
1686 173 166 GLU HB2 H 1.962 0.020 2
1687 173 166 GLU HB3 H 2.109 0.020 2
1688 173 166 GLU HG2 H 2.495 0.020 2
1689 173 166 GLU HG3 H 1.896 0.020 2
1690 173 166 GLU C C 181.500 0.100 1
1691 173 166 GLU CA C 58.589 0.100 1
1692 173 166 GLU CB C 31.312 0.100 1
1693 173 166 GLU CG C 31.264 0.100 1
1694 173 166 GLU N N 127.159 0.100 1
stop_
save_