data_25869
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of LptE from Pseudomonas Aerigunosa
;
_BMRB_accession_number 25869
_BMRB_flat_file_name bmr25869.str
_Entry_type original
_Submission_date 2015-10-28
_Accession_date 2015-10-28
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'NMR structure of LptE from Pseudomonas Aerigunosa'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Moehle Kerstin . .
2 Kocherla Harsha . .
3 Jurt Simon . .
4 Robinson John . .
5 Zerbe Oliver . .
6 Zerbe Katja . .
7 Bacsa Bernadette . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 819
"13C chemical shifts" 587
"15N chemical shifts" 162
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-07-22 update BMRB 'update entry citation'
2016-05-23 original author 'original release'
stop_
_Original_release_date 2016-05-23
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure and dynamics of LptE from Pseudomonas aeruginosa
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27166502
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Moehle Kerstin . .
2 Kocherla Harsha . .
3 Bacsa Bernadette . .
4 Zerbe Katja . .
5 Robinson John . .
6 Zerbe Oliver . .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 55
_Journal_issue 21
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2936
_Page_last 2943
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name LptE
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
loop_
_Biological_function
'protein of the LPS transport system'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 18411.617
_Mol_thiol_state 'all free'
loop_
_Biological_function
'protein involved in the LPS transport pathway'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 166
_Mol_residue_sequence
;
GTSGFQLRGLGDAQFALKEI
DVSARNAYGPTVRELKETLE
NSGVKVTSNAPYHLVLVRED
NQQRTVSYTGSARGAEFELT
NTINYEIVGANDLVLMSNQV
QVQKVYVHDENNLIGSDQEA
AQLRSEMRRDLIQQLSMRLQ
ALTPAQLDEAQRQAEAKAKA
EAEALR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 GLY 2 2 THR 3 3 SER 4 4 GLY 5 5 PHE
6 6 GLN 7 7 LEU 8 8 ARG 9 9 GLY 10 10 LEU
11 11 GLY 12 12 ASP 13 13 ALA 14 14 GLN 15 15 PHE
16 16 ALA 17 17 LEU 18 18 LYS 19 19 GLU 20 20 ILE
21 21 ASP 22 22 VAL 23 23 SER 24 24 ALA 25 25 ARG
26 26 ASN 27 27 ALA 28 28 TYR 29 29 GLY 30 30 PRO
31 31 THR 32 32 VAL 33 33 ARG 34 34 GLU 35 35 LEU
36 36 LYS 37 37 GLU 38 38 THR 39 39 LEU 40 40 GLU
41 41 ASN 42 42 SER 43 43 GLY 44 44 VAL 45 45 LYS
46 46 VAL 47 47 THR 48 48 SER 49 49 ASN 50 50 ALA
51 51 PRO 52 52 TYR 53 53 HIS 54 54 LEU 55 55 VAL
56 56 LEU 57 57 VAL 58 58 ARG 59 59 GLU 60 60 ASP
61 61 ASN 62 62 GLN 63 63 GLN 64 64 ARG 65 65 THR
66 66 VAL 67 67 SER 68 68 TYR 69 69 THR 70 70 GLY
71 71 SER 72 72 ALA 73 73 ARG 74 74 GLY 75 75 ALA
76 76 GLU 77 77 PHE 78 78 GLU 79 79 LEU 80 80 THR
81 81 ASN 82 82 THR 83 83 ILE 84 84 ASN 85 85 TYR
86 86 GLU 87 87 ILE 88 88 VAL 89 89 GLY 90 90 ALA
91 91 ASN 92 92 ASP 93 93 LEU 94 94 VAL 95 95 LEU
96 96 MET 97 97 SER 98 98 ASN 99 99 GLN 100 100 VAL
101 101 GLN 102 102 VAL 103 103 GLN 104 104 LYS 105 105 VAL
106 106 TYR 107 107 VAL 108 108 HIS 109 109 ASP 110 110 GLU
111 111 ASN 112 112 ASN 113 113 LEU 114 114 ILE 115 115 GLY
116 116 SER 117 117 ASP 118 118 GLN 119 119 GLU 120 120 ALA
121 121 ALA 122 122 GLN 123 123 LEU 124 124 ARG 125 125 SER
126 126 GLU 127 127 MET 128 128 ARG 129 129 ARG 130 130 ASP
131 131 LEU 132 132 ILE 133 133 GLN 134 134 GLN 135 135 LEU
136 136 SER 137 137 MET 138 138 ARG 139 139 LEU 140 140 GLN
141 141 ALA 142 142 LEU 143 143 THR 144 144 PRO 145 145 ALA
146 146 GLN 147 147 LEU 148 148 ASP 149 149 GLU 150 150 ALA
151 151 GLN 152 152 ARG 153 153 GLN 154 154 ALA 155 155 GLU
156 156 ALA 157 157 LYS 158 158 ALA 159 159 LYS 160 160 ALA
161 161 GLU 162 162 ALA 163 163 GLU 164 164 ALA 165 165 LEU
166 166 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
_Details
$entity g-proteobacteria 287 Bacteria . Pseudomonas aeruginosa PAO1 'lpte, rlpB' PA3988
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity 'recombinant technology' . Escherichia coli C41(DE3) pCDFduet-1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.45 mM 15N-labeled LptE'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 25 mM 'natural abundance'
CHAPS 20 mM 'natural abundance'
$entity 0.45 mM 15N-labeled
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '0.35 mM 15N,13C-labeled LptE'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 25 mM 'natural abundance'
CHAPS 20 mM 'natural abundance'
$entity 0.35 mM 15N,13C-labeled
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details '0.35 mM 2H,15N,13C-labeled LptE'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 25 mM 'natural abundance'
$entity 0.35 mM 2H,15N,13C-labeled
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.9
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version 2-1.39
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.9
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_2
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_2
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_3
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_3
save_
save_3D_HN(CO)CACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_Sample_label $sample_3
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aliphatic_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aromatic_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_2
save_
save_3D_HBHA(CO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_2
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' 55 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 310 . 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
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC aromatic'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity
_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 2 THR HA H 4.310 0.020 1
2 2 2 THR HB H 4.123 0.020 1
3 2 2 THR HG2 H 1.043 0.020 1
4 2 2 THR CA C 61.706 0.3 1
5 2 2 THR CB C 69.609 0.3 1
6 2 2 THR CG2 C 21.320 0.3 1
7 3 3 SER H H 8.353 0.020 1
8 3 3 SER HA H 4.359 0.020 1
9 3 3 SER HB2 H 3.751 0.020 1
10 3 3 SER HB3 H 3.751 0.020 1
11 3 3 SER CA C 58.304 0.3 1
12 3 3 SER CB C 63.690 0.3 1
13 3 3 SER N N 118.064 0.3 1
14 4 4 GLY H H 8.297 0.020 1
15 4 4 GLY HA2 H 3.807 0.020 1
16 4 4 GLY HA3 H 3.807 0.020 1
17 4 4 GLY C C 173.807 0.3 1
18 4 4 GLY CA C 45.102 0.3 1
19 4 4 GLY N N 110.234 0.3 1
20 5 5 PHE H H 8.001 0.020 1
21 5 5 PHE HA H 4.455 0.020 1
22 5 5 PHE HB2 H 2.888 0.020 2
23 5 5 PHE HB3 H 2.961 0.020 2
24 5 5 PHE HD1 H 7.093 0.020 1
25 5 5 PHE HD2 H 7.093 0.020 1
26 5 5 PHE C C 175.572 0.3 1
27 5 5 PHE CA C 57.673 0.3 1
28 5 5 PHE CB C 39.368 0.3 1
29 5 5 PHE N N 119.802 0.3 1
30 6 6 GLN H H 8.126 0.020 1
31 6 6 GLN HA H 4.152 0.020 1
32 6 6 GLN HB2 H 1.778 0.020 2
33 6 6 GLN HB3 H 1.888 0.020 2
34 6 6 GLN HG2 H 2.141 0.020 1
35 6 6 GLN HG3 H 2.141 0.020 1
36 6 6 GLN C C 175.394 0.3 1
37 6 6 GLN CA C 55.373 0.3 1
38 6 6 GLN CB C 29.344 0.3 1
39 6 6 GLN CG C 33.529 0.3 1
40 6 6 GLN N N 121.797 0.3 1
41 7 7 LEU H H 8.069 0.020 1
42 7 7 LEU HA H 4.173 0.020 1
43 7 7 LEU HB2 H 1.490 0.020 1
44 7 7 LEU HB3 H 1.490 0.020 1
45 7 7 LEU HG H 1.501 0.020 1
46 7 7 LEU HD1 H 0.764 0.020 1
47 7 7 LEU HD2 H 0.764 0.020 1
48 7 7 LEU C C 177.178 0.3 1
49 7 7 LEU CA C 54.949 0.3 1
50 7 7 LEU CB C 42.091 0.3 1
51 7 7 LEU CG C 26.738 0.3 1
52 7 7 LEU CD1 C 23.226 0.3 1
53 7 7 LEU CD2 C 24.636 0.3 1
54 7 7 LEU N N 123.090 0.3 1
55 8 8 ARG H H 8.186 0.020 1
56 8 8 ARG HA H 4.212 0.020 1
57 8 8 ARG HB2 H 1.650 0.020 2
58 8 8 ARG HB3 H 1.733 0.020 2
59 8 8 ARG HG2 H 1.499 0.020 1
60 8 8 ARG HG3 H 1.499 0.020 1
61 8 8 ARG HD2 H 3.044 0.020 1
62 8 8 ARG HD3 H 3.044 0.020 1
63 8 8 ARG C C 176.619 0.3 1
64 8 8 ARG CA C 55.897 0.3 1
65 8 8 ARG CB C 30.661 0.3 1
66 8 8 ARG CG C 26.948 0.3 1
67 8 8 ARG CD C 43.267 0.3 1
68 8 8 ARG N N 121.287 0.3 1
69 9 9 GLY H H 8.300 0.020 1
70 9 9 GLY HA2 H 3.860 0.020 1
71 9 9 GLY HA3 H 3.860 0.020 1
72 9 9 GLY C C 174.132 0.3 1
73 9 9 GLY CA C 45.028 0.3 1
74 9 9 GLY N N 109.515 0.3 1
75 10 10 LEU H H 8.073 0.020 1
76 10 10 LEU HA H 4.198 0.020 1
77 10 10 LEU HB2 H 1.504 0.020 1
78 10 10 LEU HB3 H 1.504 0.020 1
79 10 10 LEU HG H 1.499 0.020 1
80 10 10 LEU HD1 H 0.752 0.020 2
81 10 10 LEU HD2 H 0.781 0.020 2
82 10 10 LEU C C 178.097 0.3 1
83 10 10 LEU CA C 55.038 0.3 1
84 10 10 LEU CB C 42.136 0.3 1
85 10 10 LEU CG C 26.753 0.3 1
86 10 10 LEU CD1 C 23.082 0.3 1
87 10 10 LEU CD2 C 24.758 0.3 1
88 10 10 LEU N N 121.183 0.3 1
89 11 11 GLY H H 8.336 0.020 1
90 11 11 GLY HA2 H 3.792 0.020 1
91 11 11 GLY HA3 H 3.792 0.020 1
92 11 11 GLY C C 174.052 0.3 1
93 11 11 GLY CA C 45.232 0.3 1
94 11 11 GLY N N 108.847 0.3 1
95 12 12 ASP H H 8.022 0.020 1
96 12 12 ASP HA H 4.468 0.020 1
97 12 12 ASP HB2 H 2.500 0.020 2
98 12 12 ASP HB3 H 2.583 0.020 2
99 12 12 ASP C C 176.006 0.3 1
100 12 12 ASP CA C 54.242 0.3 1
101 12 12 ASP CB C 41.060 0.3 1
102 12 12 ASP N N 120.222 0.3 1
103 13 13 ALA H H 7.995 0.020 1
104 13 13 ALA HA H 4.162 0.020 1
105 13 13 ALA HB H 1.223 0.020 1
106 13 13 ALA C C 177.090 0.3 1
107 13 13 ALA CA C 52.277 0.3 1
108 13 13 ALA CB C 19.080 0.3 1
109 13 13 ALA N N 123.447 0.3 1
110 14 14 GLN H H 8.059 0.020 1
111 14 14 GLN HA H 4.168 0.020 1
112 14 14 GLN HB2 H 1.782 0.020 2
113 14 14 GLN HB3 H 1.903 0.020 2
114 14 14 GLN HG2 H 2.138 0.020 1
115 14 14 GLN HG3 H 2.138 0.020 1
116 14 14 GLN C C 175.612 0.3 1
117 14 14 GLN CA C 55.507 0.3 1
118 14 14 GLN CB C 29.694 0.3 1
119 14 14 GLN CG C 33.552 0.3 1
120 14 14 GLN N N 118.303 0.3 1
121 15 15 PHE H H 8.393 0.020 1
122 15 15 PHE HA H 4.478 0.020 1
123 15 15 PHE HB2 H 2.839 0.020 2
124 15 15 PHE HB3 H 2.990 0.020 2
125 15 15 PHE HD1 H 7.085 0.020 1
126 15 15 PHE HD2 H 7.085 0.020 1
127 15 15 PHE C C 175.191 0.3 1
128 15 15 PHE CA C 57.533 0.3 1
129 15 15 PHE CB C 39.711 0.3 1
130 15 15 PHE N N 120.772 0.3 1
131 16 16 ALA H H 8.360 0.020 1
132 16 16 ALA HA H 4.280 0.020 1
133 16 16 ALA HB H 1.404 0.020 1
134 16 16 ALA C C 178.344 0.3 1
135 16 16 ALA CA C 52.709 0.3 1
136 16 16 ALA CB C 19.694 0.3 1
137 16 16 ALA N N 124.369 0.3 1
138 17 17 LEU H H 8.024 0.020 1
139 17 17 LEU HA H 4.152 0.020 1
140 17 17 LEU HB2 H 1.538 0.020 1
141 17 17 LEU HB3 H 1.538 0.020 1
142 17 17 LEU HD1 H 0.609 0.020 2
143 17 17 LEU HD2 H 0.703 0.020 2
144 17 17 LEU C C 175.721 0.3 1
145 17 17 LEU CA C 54.861 0.3 1
146 17 17 LEU CB C 42.144 0.3 1
147 17 17 LEU CG C 26.733 0.3 1
148 17 17 LEU CD1 C 23.923 0.3 1
149 17 17 LEU CD2 C 24.952 0.3 1
150 17 17 LEU N N 118.975 0.3 1
151 18 18 LYS H H 8.336 0.020 1
152 18 18 LYS HA H 4.270 0.020 1
153 18 18 LYS HB2 H 1.733 0.020 2
154 18 18 LYS HB3 H 1.888 0.020 2
155 18 18 LYS HG2 H 1.363 0.020 2
156 18 18 LYS HG3 H 1.439 0.020 2
157 18 18 LYS C C 176.878 0.3 1
158 18 18 LYS CA C 56.104 0.3 1
159 18 18 LYS CB C 33.190 0.3 1
160 18 18 LYS CG C 24.499 0.3 1
161 18 18 LYS CE C 42.038 0.3 1
162 18 18 LYS N N 119.377 0.3 1
163 19 19 GLU H H 7.583 0.020 1
164 19 19 GLU HA H 5.536 0.020 1
165 19 19 GLU HB2 H 1.716 0.020 2
166 19 19 GLU HB3 H 1.871 0.020 2
167 19 19 GLU HG2 H 2.021 0.020 1
168 19 19 GLU HG3 H 2.021 0.020 1
169 19 19 GLU C C 174.309 0.3 1
170 19 19 GLU CA C 54.139 0.3 1
171 19 19 GLU CB C 33.104 0.3 1
172 19 19 GLU CG C 35.089 0.3 1
173 19 19 GLU N N 116.692 0.3 1
174 20 20 ILE H H 8.576 0.020 1
175 20 20 ILE HA H 4.134 0.020 1
176 20 20 ILE HB H 1.546 0.020 1
177 20 20 ILE HG12 H 1.080 0.020 2
178 20 20 ILE HG13 H 1.324 0.020 2
179 20 20 ILE HG2 H 0.452 0.020 1
180 20 20 ILE HD1 H 0.662 0.020 1
181 20 20 ILE C C 170.838 0.3 1
182 20 20 ILE CA C 59.802 0.3 1
183 20 20 ILE CB C 41.892 0.3 1
184 20 20 ILE CG1 C 28.570 0.3 1
185 20 20 ILE CG2 C 16.712 0.3 1
186 20 20 ILE CD1 C 14.257 0.3 1
187 20 20 ILE N N 118.582 0.3 1
188 21 21 ASP H H 7.474 0.020 1
189 21 21 ASP HA H 4.911 0.020 1
190 21 21 ASP HB2 H 2.361 0.020 2
191 21 21 ASP HB3 H 2.903 0.020 2
192 21 21 ASP C C 175.743 0.3 1
193 21 21 ASP CA C 52.395 0.3 1
194 21 21 ASP CB C 42.369 0.3 1
195 21 21 ASP N N 124.133 0.3 1
196 22 22 VAL H H 7.617 0.020 1
197 22 22 VAL HA H 4.875 0.020 1
198 22 22 VAL HB H 1.634 0.020 1
199 22 22 VAL HG1 H 0.664 0.020 2
200 22 22 VAL HG2 H 0.688 0.020 2
201 22 22 VAL C C 173.856 0.3 1
202 22 22 VAL CA C 61.099 0.3 1
203 22 22 VAL CB C 33.753 0.3 1
204 22 22 VAL CG2 C 21.687 0.3 1
205 22 22 VAL N N 124.603 0.3 1
206 23 23 SER H H 8.836 0.020 1
207 23 23 SER HA H 4.492 0.020 1
208 23 23 SER HB2 H 3.700 0.020 1
209 23 23 SER HB3 H 3.700 0.020 1
210 23 23 SER C C 173.878 0.3 1
211 23 23 SER CA C 56.950 0.3 1
212 23 23 SER CB C 65.420 0.3 1
213 23 23 SER N N 120.815 0.3 1
214 24 24 ALA H H 8.473 0.020 1
215 24 24 ALA HA H 4.772 0.020 1
216 24 24 ALA HB H 1.266 0.020 1
217 24 24 ALA CA C 51.198 0.3 1
218 24 24 ALA CB C 22.581 0.3 1
219 25 25 ARG H H 8.114 0.020 1
220 25 25 ARG HA H 4.233 0.020 1
221 25 25 ARG HB2 H 1.469 0.020 2
222 25 25 ARG HB3 H 1.772 0.020 2
223 25 25 ARG N N 119.634 0.3 1
224 27 27 ALA H H 7.639 0.020 1
225 27 27 ALA HA H 4.216 0.020 1
226 27 27 ALA HB H 1.109 0.020 1
227 27 27 ALA CA C 52.094 0.3 1
228 27 27 ALA CB C 19.777 0.3 1
229 28 28 TYR H H 8.322 0.020 1
230 28 28 TYR HA H 4.565 0.020 1
231 28 28 TYR HB2 H 2.792 0.020 2
232 28 28 TYR HB3 H 3.102 0.020 2
233 28 28 TYR HD1 H 7.028 0.020 1
234 28 28 TYR HD2 H 7.028 0.020 1
235 28 28 TYR HE1 H 6.695 0.020 1
236 28 28 TYR HE2 H 6.695 0.020 1
237 28 28 TYR CA C 56.894 0.3 1
238 28 28 TYR CB C 37.977 0.3 1
239 28 28 TYR CD1 C 133.213 0.3 1
240 28 28 TYR CD2 C 133.213 0.3 1
241 28 28 TYR CE1 C 118.165 0.3 1
242 28 28 TYR CE2 C 118.165 0.3 1
243 28 28 TYR N N 120.159 0.3 1
244 29 29 GLY H H 7.987 0.020 1
245 29 29 GLY HA2 H 3.151 0.020 1
246 29 29 GLY HA3 H 3.151 0.020 1
247 29 29 GLY CA C 38.585 0.3 1
248 29 29 GLY N N 121.412 0.3 1
249 30 30 PRO HA H 4.130 0.020 1
250 30 30 PRO HB2 H 2.186 0.020 2
251 30 30 PRO HB3 H 1.729 0.020 2
252 30 30 PRO HG2 H 1.774 0.020 1
253 30 30 PRO HG3 H 1.774 0.020 1
254 30 30 PRO HD2 H 3.421 0.020 1
255 30 30 PRO HD3 H 3.421 0.020 1
256 30 30 PRO CA C 64.975 0.3 1
257 30 30 PRO CB C 31.632 0.3 1
258 30 30 PRO CG C 27.491 0.3 1
259 30 30 PRO CD C 50.086 0.3 1
260 31 31 THR H H 7.504 0.020 1
261 31 31 THR HA H 3.545 0.020 1
262 31 31 THR HB H 4.113 0.020 1
263 31 31 THR HG2 H 0.851 0.020 1
264 31 31 THR CA C 66.623 0.3 1
265 31 31 THR CB C 67.322 0.3 1
266 31 31 THR CG2 C 22.348 0.3 1
267 31 31 THR N N 114.835 0.3 1
268 32 32 VAL HA H 3.188 0.020 1
269 32 32 VAL HB H 1.947 0.020 1
270 32 32 VAL HG1 H 0.729 0.020 2
271 32 32 VAL HG2 H 0.753 0.020 2
272 32 32 VAL CA C 66.662 0.3 1
273 32 32 VAL CB C 31.100 0.3 1
274 32 32 VAL CG1 C 20.819 0.3 1
275 32 32 VAL CG2 C 23.279 0.3 1
276 33 33 ARG H H 7.705 0.020 1
277 33 33 ARG HB2 H 1.720 0.020 1
278 33 33 ARG HB3 H 1.720 0.020 1
279 33 33 ARG N N 118.871 0.3 1
280 35 35 LEU H H 8.414 0.020 1
281 35 35 LEU HA H 3.913 0.020 1
282 35 35 LEU HB2 H 1.348 0.020 1
283 35 35 LEU HB3 H 1.348 0.020 1
284 35 35 LEU HG H 1.371 0.020 1
285 35 35 LEU HD1 H 0.624 0.020 2
286 35 35 LEU HD2 H 0.658 0.020 2
287 35 35 LEU CA C 57.953 0.3 1
288 35 35 LEU CB C 41.577 0.3 1
289 35 35 LEU CD1 C 23.061 0.3 1
290 35 35 LEU CD2 C 27.172 0.3 1
291 35 35 LEU N N 122.452 0.3 1
292 36 36 LYS H H 8.346 0.020 1
293 36 36 LYS HA H 3.629 0.020 1
294 36 36 LYS HB2 H 1.770 0.020 2
295 36 36 LYS HB3 H 1.928 0.020 2
296 36 36 LYS HE2 H 2.784 0.020 1
297 36 36 LYS HE3 H 2.784 0.020 1
298 36 36 LYS C C 177.646 0.3 1
299 36 36 LYS CA C 61.032 0.3 1
300 36 36 LYS CB C 32.121 0.3 1
301 36 36 LYS CG C 25.487 0.3 1
302 36 36 LYS CD C 29.812 0.3 1
303 36 36 LYS CE C 41.677 0.3 1
304 36 36 LYS N N 118.602 0.3 1
305 37 37 GLU H H 7.882 0.020 1
306 37 37 GLU HA H 3.938 0.020 1
307 37 37 GLU HB2 H 1.985 0.020 1
308 37 37 GLU HB3 H 1.985 0.020 1
309 37 37 GLU HG2 H 2.135 0.020 2
310 37 37 GLU HG3 H 2.319 0.020 2
311 37 37 GLU C C 178.917 0.3 1
312 37 37 GLU CA C 59.299 0.3 1
313 37 37 GLU CB C 29.525 0.3 1
314 37 37 GLU CG C 36.227 0.3 1
315 37 37 GLU N N 116.535 0.3 1
316 38 38 THR H H 7.840 0.020 1
317 38 38 THR HA H 3.885 0.020 1
318 38 38 THR HB H 4.133 0.020 1
319 38 38 THR HG2 H 1.090 0.020 1
320 38 38 THR C C 177.078 0.3 1
321 38 38 THR CA C 67.083 0.3 1
322 38 38 THR CB C 68.602 0.3 1
323 38 38 THR CG2 C 20.540 0.3 1
324 38 38 THR N N 115.777 0.3 1
325 39 39 LEU H H 8.194 0.020 1
326 39 39 LEU HA H 3.608 0.020 1
327 39 39 LEU HB2 H 0.744 0.020 2
328 39 39 LEU HB3 H 0.805 0.020 2
329 39 39 LEU HG H 1.564 0.020 1
330 39 39 LEU HD1 H 0.419 0.020 2
331 39 39 LEU HD2 H 0.379 0.020 2
332 39 39 LEU C C 179.367 0.3 1
333 39 39 LEU CA C 58.165 0.3 1
334 39 39 LEU CB C 40.534 0.3 1
335 39 39 LEU CG C 26.171 0.3 1
336 39 39 LEU CD1 C 22.436 0.3 1
337 39 39 LEU CD2 C 25.969 0.3 1
338 39 39 LEU N N 122.781 0.3 1
339 40 40 GLU H H 8.438 0.020 1
340 40 40 GLU HA H 4.336 0.020 1
341 40 40 GLU HB2 H 1.881 0.020 2
342 40 40 GLU HB3 H 2.037 0.020 2
343 40 40 GLU HG2 H 2.293 0.020 2
344 40 40 GLU HG3 H 2.465 0.020 2
345 40 40 GLU C C 177.682 0.3 1
346 40 40 GLU N N 120.310 0.3 1
347 41 41 ASN H H 8.194 0.020 1
348 41 41 ASN HA H 4.474 0.020 1
349 41 41 ASN HB2 H 2.822 0.020 1
350 41 41 ASN HB3 H 2.822 0.020 1
351 41 41 ASN HD21 H 6.890 0.020 1
352 41 41 ASN HD22 H 7.498 0.020 1
353 41 41 ASN C C 176.560 0.3 1
354 41 41 ASN CA C 55.122 0.3 1
355 41 41 ASN CB C 38.070 0.3 1
356 41 41 ASN N N 118.529 0.3 1
357 41 41 ASN ND2 N 111.952 0.3 1
358 42 42 SER H H 7.498 0.020 1
359 42 42 SER HA H 4.528 0.020 1
360 42 42 SER HB2 H 3.694 0.020 2
361 42 42 SER HB3 H 4.035 0.020 2
362 42 42 SER C C 173.557 0.3 1
363 42 42 SER CA C 58.546 0.3 1
364 42 42 SER CB C 64.011 0.3 1
365 42 42 SER N N 114.049 0.3 1
366 43 43 GLY H H 7.611 0.020 1
367 43 43 GLY HA2 H 4.132 0.020 2
368 43 43 GLY HA3 H 3.559 0.020 2
369 43 43 GLY C C 173.686 0.3 1
370 43 43 GLY CA C 45.214 0.3 1
371 43 43 GLY N N 106.802 0.3 1
372 44 44 VAL H H 7.590 0.020 1
373 44 44 VAL HA H 3.568 0.020 1
374 44 44 VAL HB H 1.290 0.020 1
375 44 44 VAL HG1 H 0.162 0.020 2
376 44 44 VAL HG2 H 0.279 0.020 2
377 44 44 VAL C C 174.252 0.3 1
378 44 44 VAL CA C 61.475 0.3 1
379 44 44 VAL CB C 32.304 0.3 1
380 44 44 VAL CG1 C 20.495 0.3 1
381 44 44 VAL CG2 C 20.555 0.3 1
382 44 44 VAL N N 122.979 0.3 1
383 45 45 LYS H H 7.809 0.020 1
384 45 45 LYS HA H 4.194 0.020 1
385 45 45 LYS HB2 H 1.720 0.020 1
386 45 45 LYS HB3 H 1.720 0.020 1
387 45 45 LYS HG2 H 1.182 0.020 2
388 45 45 LYS HG3 H 1.354 0.020 2
389 45 45 LYS HD2 H 1.583 0.020 1
390 45 45 LYS HD3 H 1.583 0.020 1
391 45 45 LYS HE2 H 2.847 0.020 1
392 45 45 LYS HE3 H 2.847 0.020 1
393 45 45 LYS C C 175.256 0.3 1
394 45 45 LYS CA C 55.634 0.3 1
395 45 45 LYS CB C 32.767 0.3 1
396 45 45 LYS CG C 24.621 0.3 1
397 45 45 LYS CD C 28.845 0.3 1
398 45 45 LYS CE C 41.952 0.3 1
399 45 45 LYS N N 126.342 0.3 1
400 46 46 VAL H H 8.546 0.020 1
401 46 46 VAL HA H 5.094 0.020 1
402 46 46 VAL HB H 1.939 0.020 1
403 46 46 VAL HG1 H 0.761 0.020 2
404 46 46 VAL HG2 H 0.868 0.020 2
405 46 46 VAL C C 176.486 0.3 1
406 46 46 VAL CA C 60.630 0.3 1
407 46 46 VAL CB C 30.644 0.3 1
408 46 46 VAL CG1 C 22.016 0.3 1
409 46 46 VAL N N 128.519 0.3 1
410 47 47 THR H H 8.209 0.020 1
411 47 47 THR HA H 4.745 0.020 1
412 47 47 THR HB H 4.066 0.020 1
413 47 47 THR HG2 H 0.964 0.020 1
414 47 47 THR C C 173.200 0.3 1
415 47 47 THR CA C 58.111 0.3 1
416 47 47 THR CB C 68.945 0.3 1
417 47 47 THR CG2 C 18.999 0.3 1
418 47 47 THR N N 122.092 0.3 1
419 48 48 SER H H 8.488 0.020 1
420 48 48 SER HA H 4.182 0.020 1
421 48 48 SER HB2 H 3.792 0.020 2
422 48 48 SER HB3 H 3.860 0.020 2
423 48 48 SER CA C 59.922 0.3 1
424 48 48 SER CB C 62.687 0.3 1
425 48 48 SER N N 121.789 0.3 1
426 49 49 ASN H H 7.971 0.020 1
427 49 49 ASN HA H 4.619 0.020 1
428 49 49 ASN HB2 H 2.482 0.020 2
429 49 49 ASN HB3 H 2.735 0.020 2
430 49 49 ASN HD21 H 6.760 0.020 1
431 49 49 ASN HD22 H 7.410 0.020 1
432 49 49 ASN CA C 52.669 0.3 1
433 49 49 ASN CB C 38.134 0.3 1
434 49 49 ASN N N 117.861 0.3 1
435 49 49 ASN ND2 N 112.551 0.3 1
436 50 50 ALA H H 6.921 0.020 1
437 50 50 ALA HA H 4.150 0.020 1
438 50 50 ALA HB H 1.200 0.020 1
439 50 50 ALA C C 175.233 0.3 1
440 50 50 ALA CA C 50.398 0.3 1
441 50 50 ALA CB C 18.450 0.3 1
442 50 50 ALA N N 122.951 0.3 1
443 51 51 PRO HA H 4.028 0.020 1
444 51 51 PRO HB2 H 1.835 0.020 2
445 51 51 PRO HB3 H 1.039 0.020 2
446 51 51 PRO HG2 H 1.609 0.020 2
447 51 51 PRO HG3 H 1.766 0.020 2
448 51 51 PRO HD2 H 3.471 0.020 1
449 51 51 PRO HD3 H 3.471 0.020 1
450 51 51 PRO CA C 63.151 0.3 1
451 51 51 PRO CB C 31.212 0.3 1
452 51 51 PRO CG C 26.662 0.3 1
453 51 51 PRO CD C 49.918 0.3 1
454 52 52 TYR H H 6.445 0.020 1
455 52 52 TYR HA H 5.101 0.020 1
456 52 52 TYR HB2 H 2.623 0.020 1
457 52 52 TYR HB3 H 2.623 0.020 1
458 52 52 TYR HD1 H 6.930 0.020 1
459 52 52 TYR HD2 H 6.930 0.020 1
460 52 52 TYR HE1 H 6.661 0.020 1
461 52 52 TYR HE2 H 6.661 0.020 1
462 52 52 TYR C C 174.249 0.3 1
463 52 52 TYR CA C 55.799 0.3 1
464 52 52 TYR CB C 40.342 0.3 1
465 52 52 TYR CD1 C 133.129 0.3 1
466 52 52 TYR CD2 C 133.129 0.3 1
467 52 52 TYR CE1 C 118.081 0.3 1
468 52 52 TYR CE2 C 118.081 0.3 1
469 52 52 TYR N N 112.004 0.3 1
470 53 53 HIS H H 9.062 0.020 1
471 53 53 HIS HA H 4.968 0.020 1
472 53 53 HIS HB2 H 2.962 0.020 2
473 53 53 HIS HB3 H 3.035 0.020 2
474 53 53 HIS HD2 H 7.010 0.020 1
475 53 53 HIS C C 173.140 0.3 1
476 53 53 HIS CA C 53.622 0.3 1
477 53 53 HIS CB C 29.736 0.3 1
478 53 53 HIS CD2 C 120.406 0.3 1
479 53 53 HIS N N 118.392 0.3 1
480 54 54 LEU H H 9.400 0.020 1
481 54 54 LEU HA H 4.970 0.020 1
482 54 54 LEU HB2 H 1.873 0.020 1
483 54 54 LEU HB3 H 1.873 0.020 1
484 54 54 LEU HG H 1.359 0.020 1
485 54 54 LEU HD1 H 0.642 0.020 1
486 54 54 LEU HD2 H 0.642 0.020 1
487 54 54 LEU C C 173.710 0.3 1
488 54 54 LEU CA C 54.094 0.3 1
489 54 54 LEU CB C 42.933 0.3 1
490 54 54 LEU CD1 C 24.816 0.3 1
491 54 54 LEU CD2 C 26.999 0.3 1
492 54 54 LEU N N 127.637 0.3 1
493 55 55 VAL H H 9.320 0.020 1
494 55 55 VAL HA H 4.471 0.020 1
495 55 55 VAL HB H 1.860 0.020 1
496 55 55 VAL HG1 H 0.563 0.020 2
497 55 55 VAL HG2 H 0.654 0.020 2
498 55 55 VAL C C 176.429 0.3 1
499 55 55 VAL CA C 60.351 0.3 1
500 55 55 VAL CB C 33.745 0.3 1
501 55 55 VAL CG1 C 21.043 0.3 1
502 55 55 VAL CG2 C 20.064 0.3 1
503 55 55 VAL N N 127.777 0.3 1
504 56 56 LEU H H 8.955 0.020 1
505 56 56 LEU HA H 4.472 0.020 1
506 56 56 LEU HB2 H 1.778 0.020 1
507 56 56 LEU HB3 H 1.778 0.020 1
508 56 56 LEU HG H 1.573 0.020 1
509 56 56 LEU HD1 H 0.556 0.020 1
510 56 56 LEU C C 175.541 0.3 1
511 56 56 LEU CA C 54.196 0.3 1
512 56 56 LEU CB C 39.330 0.3 1
513 56 56 LEU CG C 27.102 0.3 1
514 56 56 LEU CD1 C 23.140 0.3 1
515 56 56 LEU CD2 C 25.245 0.3 1
516 56 56 LEU N N 126.821 0.3 1
517 57 57 VAL H H 8.442 0.020 1
518 57 57 VAL HA H 3.651 0.020 1
519 57 57 VAL HB H 1.743 0.020 1
520 57 57 VAL HG1 H 0.734 0.020 1
521 57 57 VAL HG2 H 0.734 0.020 1
522 57 57 VAL C C 175.937 0.3 1
523 57 57 VAL CA C 65.134 0.3 1
524 57 57 VAL CB C 32.593 0.3 1
525 57 57 VAL CG1 C 21.044 0.3 1
526 57 57 VAL CG2 C 21.099 0.3 1
527 57 57 VAL N N 125.958 0.3 1
528 58 58 ARG H H 7.449 0.020 1
529 58 58 ARG HA H 4.490 0.020 1
530 58 58 ARG HB2 H 1.710 0.020 1
531 58 58 ARG HB3 H 1.710 0.020 1
532 58 58 ARG C C 173.341 0.3 1
533 58 58 ARG CA C 57.178 0.3 1
534 58 58 ARG CB C 33.209 0.3 1
535 58 58 ARG N N 115.546 0.3 1
536 59 59 GLU H H 8.128 0.020 1
537 59 59 GLU HA H 4.541 0.020 1
538 59 59 GLU HB2 H 1.825 0.020 2
539 59 59 GLU HB3 H 1.872 0.020 2
540 59 59 GLU HG2 H 1.964 0.020 1
541 59 59 GLU HG3 H 1.964 0.020 1
542 59 59 GLU C C 174.245 0.3 1
543 59 59 GLU CA C 54.957 0.3 1
544 59 59 GLU CB C 32.329 0.3 1
545 59 59 GLU CG C 35.792 0.3 1
546 59 59 GLU N N 125.444 0.3 1
547 60 60 ASP H H 8.773 0.020 1
548 60 60 ASP HA H 5.012 0.020 1
549 60 60 ASP HB2 H 2.325 0.020 2
550 60 60 ASP HB3 H 2.489 0.020 2
551 60 60 ASP C C 174.654 0.3 1
552 60 60 ASP CA C 53.142 0.3 1
553 60 60 ASP CB C 44.827 0.3 1
554 60 60 ASP N N 124.104 0.3 1
555 61 61 ASN H H 8.577 0.020 1
556 61 61 ASN HA H 5.374 0.020 1
557 61 61 ASN HB2 H 2.560 0.020 1
558 61 61 ASN HB3 H 2.560 0.020 1
559 61 61 ASN CA C 52.700 0.3 1
560 61 61 ASN CB C 41.045 0.3 1
561 61 61 ASN N N 122.730 0.3 1
562 62 62 GLN H H 8.751 0.020 1
563 62 62 GLN HA H 5.380 0.020 1
564 62 62 GLN C C 174.863 0.3 1
565 62 62 GLN N N 120.643 0.3 1
566 63 63 GLN H H 8.645 0.020 1
567 63 63 GLN HA H 5.290 0.020 1
568 63 63 GLN HB2 H 1.834 0.020 2
569 63 63 GLN HB3 H 1.856 0.020 2
570 63 63 GLN C C 174.012 0.3 1
571 63 63 GLN CA C 54.792 0.3 1
572 63 63 GLN CB C 31.672 0.3 1
573 63 63 GLN CG C 33.240 0.3 1
574 63 63 GLN N N 122.150 0.3 1
575 64 64 ARG H H 8.752 0.020 1
576 64 64 ARG HA H 4.785 0.020 1
577 64 64 ARG C C 174.956 0.3 1
578 64 64 ARG N N 122.735 0.3 1
579 65 65 THR H H 8.724 0.020 1
580 65 65 THR HA H 4.380 0.020 1
581 65 65 THR HB H 3.872 0.020 1
582 65 65 THR HG2 H 0.766 0.020 1
583 65 65 THR C C 174.269 0.3 1
584 65 65 THR CA C 62.358 0.3 1
585 65 65 THR CB C 69.224 0.3 1
586 65 65 THR CG2 C 21.743 0.3 1
587 65 65 THR N N 119.873 0.3 1
588 66 66 VAL H H 8.432 0.020 1
589 66 66 VAL HA H 3.990 0.020 1
590 66 66 VAL HB H 1.686 0.020 1
591 66 66 VAL HG1 H 0.564 0.020 2
592 66 66 VAL HG2 H 0.644 0.020 2
593 66 66 VAL C C 175.264 0.3 1
594 66 66 VAL CA C 61.905 0.3 1
595 66 66 VAL CB C 33.196 0.3 1
596 66 66 VAL CG1 C 20.279 0.3 1
597 66 66 VAL CG2 C 21.248 0.3 1
598 66 66 VAL N N 124.436 0.3 1
599 67 67 SER H H 7.786 0.020 1
600 67 67 SER HA H 4.390 0.020 1
601 67 67 SER HB2 H 3.607 0.020 1
602 67 67 SER HB3 H 3.607 0.020 1
603 67 67 SER C C 173.446 0.3 1
604 67 67 SER CA C 57.238 0.3 1
605 67 67 SER CB C 63.944 0.3 1
606 67 67 SER N N 115.742 0.3 1
607 68 68 TYR H H 8.319 0.020 1
608 68 68 TYR HA H 4.637 0.020 1
609 68 68 TYR HB2 H 2.928 0.020 1
610 68 68 TYR HB3 H 2.928 0.020 2
611 68 68 TYR HD1 H 6.956 0.020 1
612 68 68 TYR HD2 H 6.956 0.020 1
613 68 68 TYR HE1 H 6.661 0.020 1
614 68 68 TYR HE2 H 6.661 0.020 1
615 68 68 TYR C C 176.250 0.3 1
616 68 68 TYR CA C 57.300 0.3 1
617 68 68 TYR CB C 39.203 0.3 1
618 68 68 TYR CD1 C 133.129 0.3 1
619 68 68 TYR CD2 C 133.129 0.3 1
620 68 68 TYR CE1 C 118.123 0.3 1
621 68 68 TYR CE2 C 118.123 0.3 1
622 68 68 TYR N N 122.316 0.3 1
623 69 69 THR H H 8.396 0.020 1
624 69 69 THR HA H 4.183 0.020 1
625 69 69 THR HB H 4.134 0.020 1
626 69 69 THR HG2 H 1.063 0.020 1
627 69 69 THR C C 175.237 0.3 1
628 69 69 THR CA C 61.799 0.3 1
629 69 69 THR CB C 69.556 0.3 1
630 69 69 THR CG2 C 21.338 0.3 1
631 69 69 THR N N 115.073 0.3 1
632 70 70 GLY H H 8.011 0.020 1
633 70 70 GLY HA2 H 3.926 0.020 2
634 70 70 GLY HA3 H 3.716 0.020 2
635 70 70 GLY C C 174.230 0.3 1
636 70 70 GLY CA C 45.537 0.3 1
637 70 70 GLY N N 110.945 0.3 1
638 71 71 SER H H 7.956 0.020 1
639 71 71 SER HA H 4.310 0.020 1
640 71 71 SER HB2 H 3.716 0.020 2
641 71 71 SER HB3 H 3.759 0.020 2
642 71 71 SER C C 174.328 0.3 1
643 71 71 SER CA C 57.934 0.3 1
644 71 71 SER CB C 63.469 0.3 1
645 71 71 SER N N 114.877 0.3 1
646 72 72 ALA H H 8.275 0.020 1
647 72 72 ALA HA H 4.153 0.020 1
648 72 72 ALA HB H 1.276 0.020 1
649 72 72 ALA C C 177.606 0.3 1
650 72 72 ALA CA C 52.640 0.3 1
651 72 72 ALA CB C 18.699 0.3 1
652 72 72 ALA N N 124.801 0.3 1
653 73 73 ARG H H 7.976 0.020 1
654 73 73 ARG HA H 4.171 0.020 1
655 73 73 ARG HB2 H 1.554 0.020 2
656 73 73 ARG HB3 H 1.725 0.020 2
657 73 73 ARG HG2 H 1.442 0.020 1
658 73 73 ARG HG3 H 1.442 0.020 1
659 73 73 ARG C C 176.083 0.3 1
660 73 73 ARG CA C 55.869 0.3 1
661 73 73 ARG CB C 30.504 0.3 1
662 73 73 ARG CG C 26.611 0.3 1
663 73 73 ARG N N 117.620 0.3 1
664 74 74 GLY H H 7.846 0.020 1
665 74 74 GLY HA2 H 3.880 0.020 2
666 74 74 GLY HA3 H 3.783 0.020 2
667 74 74 GLY C C 172.603 0.3 1
668 74 74 GLY N N 108.468 0.3 1
669 75 75 ALA H H 8.083 0.020 1
670 75 75 ALA HA H 4.283 0.020 1
671 75 75 ALA HB H 1.132 0.020 1
672 75 75 ALA CA C 51.829 0.3 1
673 75 75 ALA CB C 20.165 0.3 1
674 75 75 ALA N N 123.096 0.3 1
675 76 76 GLU H H 7.982 0.020 1
676 76 76 GLU HA H 4.324 0.020 1
677 76 76 GLU C C 175.019 0.3 1
678 76 76 GLU N N 119.605 0.3 1
679 77 77 PHE H H 8.884 0.020 1
680 77 77 PHE HA H 5.114 0.020 1
681 77 77 PHE HB2 H 2.496 0.020 1
682 77 77 PHE HB3 H 2.496 0.020 1
683 77 77 PHE HD1 H 6.833 0.020 1
684 77 77 PHE HD2 H 6.833 0.020 1
685 77 77 PHE C C 173.621 0.3 1
686 77 77 PHE CA C 55.713 0.3 1
687 77 77 PHE CB C 42.341 0.3 1
688 77 77 PHE N N 121.913 0.3 1
689 78 78 GLU H H 9.108 0.020 1
690 78 78 GLU HA H 4.945 0.020 1
691 78 78 GLU HB2 H 1.713 0.020 2
692 78 78 GLU HB3 H 1.863 0.020 2
693 78 78 GLU C C 175.562 0.3 1
694 78 78 GLU CA C 54.596 0.3 1
695 78 78 GLU CB C 33.447 0.3 1
696 78 78 GLU CG C 36.808 0.3 1
697 78 78 GLU N N 121.292 0.3 1
698 79 79 LEU H H 9.534 0.020 1
699 79 79 LEU HA H 5.170 0.020 1
700 79 79 LEU HB2 H 1.680 0.020 1
701 79 79 LEU HB3 H 1.680 0.020 1
702 79 79 LEU HD1 H 0.783 0.020 1
703 79 79 LEU HD2 H 0.783 0.020 1
704 79 79 LEU C C 175.730 0.3 1
705 79 79 LEU CA C 53.741 0.3 1
706 79 79 LEU CB C 43.627 0.3 1
707 79 79 LEU CG C 27.867 0.3 1
708 79 79 LEU CD1 C 24.265 0.3 1
709 79 79 LEU CD2 C 25.526 0.3 1
710 79 79 LEU N N 131.195 0.3 1
711 80 80 THR H H 8.533 0.020 1
712 80 80 THR HA H 5.072 0.020 1
713 80 80 THR HB H 3.735 0.020 1
714 80 80 THR HG2 H 0.976 0.020 1
715 80 80 THR C C 173.854 0.3 1
716 80 80 THR CA C 61.613 0.3 1
717 80 80 THR CB C 71.007 0.3 1
718 80 80 THR CG2 C 21.263 0.3 1
719 80 80 THR N N 116.461 0.3 1
720 81 81 ASN H H 8.817 0.020 1
721 81 81 ASN HA H 5.582 0.020 1
722 81 81 ASN HB2 H 2.451 0.020 2
723 81 81 ASN HB3 H 2.704 0.020 2
724 81 81 ASN C C 173.309 0.3 1
725 81 81 ASN CA C 51.878 0.3 1
726 81 81 ASN CB C 42.000 0.3 1
727 81 81 ASN N N 127.035 0.3 1
728 82 82 THR H H 8.594 0.020 1
729 82 82 THR HA H 5.222 0.020 1
730 82 82 THR HB H 3.826 0.020 1
731 82 82 THR HG2 H 1.044 0.020 1
732 82 82 THR C C 174.330 0.3 1
733 82 82 THR CA C 60.911 0.3 1
734 82 82 THR CB C 71.607 0.3 1
735 82 82 THR CG2 C 21.846 0.3 1
736 82 82 THR N N 118.340 0.3 1
737 83 83 ILE H H 8.867 0.020 1
738 83 83 ILE HA H 4.900 0.020 1
739 83 83 ILE HB H 1.530 0.020 1
740 83 83 ILE HG12 H 0.941 0.020 1
741 83 83 ILE HG2 H 0.808 0.020 1
742 83 83 ILE HD1 H 0.642 0.020 1
743 83 83 ILE C C 174.633 0.3 1
744 83 83 ILE CA C 60.624 0.3 1
745 83 83 ILE CB C 42.031 0.3 1
746 83 83 ILE CG1 C 28.023 0.3 1
747 83 83 ILE CG2 C 17.699 0.3 1
748 83 83 ILE CD1 C 14.191 0.3 1
749 83 83 ILE N N 122.912 0.3 1
750 84 84 ASN H H 8.782 0.020 1
751 84 84 ASN HA H 5.207 0.020 1
752 84 84 ASN HB2 H 2.413 0.020 2
753 84 84 ASN HB3 H 2.743 0.020 2
754 84 84 ASN C C 173.972 0.3 1
755 84 84 ASN CA C 52.704 0.3 1
756 84 84 ASN CB C 40.130 0.3 1
757 84 84 ASN N N 126.491 0.3 1
758 85 85 TYR H H 8.895 0.020 1
759 85 85 TYR HA H 5.731 0.020 1
760 85 85 TYR HB2 H 2.481 0.020 2
761 85 85 TYR HB3 H 2.938 0.020 2
762 85 85 TYR HD1 H 6.543 0.020 1
763 85 85 TYR HD2 H 6.543 0.020 1
764 85 85 TYR HE1 H 6.273 0.020 1
765 85 85 TYR HE2 H 6.273 0.020 1
766 85 85 TYR C C 172.303 0.3 1
767 85 85 TYR CA C 55.193 0.3 1
768 85 85 TYR CB C 42.431 0.3 1
769 85 85 TYR CD1 C 133.548 0.3 1
770 85 85 TYR CD2 C 133.548 0.3 1
771 85 85 TYR CE1 C 116.823 0.3 1
772 85 85 TYR CE2 C 116.823 0.3 1
773 85 85 TYR N N 120.162 0.3 1
774 86 86 GLU H H 9.161 0.020 1
775 86 86 GLU HA H 5.003 0.020 1
776 86 86 GLU HB2 H 1.803 0.020 2
777 86 86 GLU HB3 H 1.937 0.020 2
778 86 86 GLU HG2 H 2.130 0.020 1
779 86 86 GLU HG3 H 2.130 0.020 1
780 86 86 GLU C C 175.468 0.3 1
781 86 86 GLU CA C 53.763 0.3 1
782 86 86 GLU CB C 33.572 0.3 1
783 86 86 GLU CG C 35.708 0.3 1
784 86 86 GLU N N 118.783 0.3 1
785 87 87 ILE H H 8.490 0.020 1
786 87 87 ILE HA H 5.164 0.020 1
787 87 87 ILE HB H 1.697 0.020 1
788 87 87 ILE HG12 H 1.120 0.020 2
789 87 87 ILE HG13 H 1.494 0.020 2
790 87 87 ILE HG2 H 0.735 0.020 1
791 87 87 ILE HD1 H 0.716 0.020 1
792 87 87 ILE C C 174.776 0.3 1
793 87 87 ILE CA C 59.359 0.3 1
794 87 87 ILE CB C 37.917 0.3 1
795 87 87 ILE CG1 C 27.495 0.3 1
796 87 87 ILE CG2 C 16.668 0.3 1
797 87 87 ILE CD1 C 11.780 0.3 1
798 87 87 ILE N N 119.716 0.3 1
799 88 88 VAL H H 9.662 0.020 1
800 88 88 VAL HA H 4.742 0.020 1
801 88 88 VAL HB H 1.840 0.020 1
802 88 88 VAL HG1 H 0.796 0.020 2
803 88 88 VAL HG2 H 0.834 0.020 2
804 88 88 VAL C C 176.193 0.3 1
805 88 88 VAL CA C 60.898 0.3 1
806 88 88 VAL CB C 35.056 0.3 1
807 88 88 VAL CG1 C 20.765 0.3 1
808 88 88 VAL CG2 C 22.325 0.3 1
809 88 88 VAL N N 129.762 0.3 1
810 89 89 GLY H H 8.925 0.020 1
811 89 89 GLY HA2 H 5.040 0.020 2
812 89 89 GLY HA3 H 4.003 0.020 2
813 89 89 GLY C C 173.163 0.3 1
814 89 89 GLY CA C 43.544 0.3 1
815 89 89 GLY N N 114.762 0.3 1
816 90 90 ALA H H 8.218 0.020 1
817 90 90 ALA HA H 4.220 0.020 1
818 90 90 ALA HB H 1.251 0.020 1
819 90 90 ALA C C 178.666 0.3 1
820 90 90 ALA CA C 52.315 0.3 1
821 90 90 ALA CB C 18.586 0.3 1
822 90 90 ALA N N 125.419 0.3 1
823 91 91 ASN H H 8.834 0.020 1
824 91 91 ASN HA H 4.171 0.020 1
825 91 91 ASN HB2 H 2.672 0.020 2
826 91 91 ASN HB3 H 2.800 0.020 2
827 91 91 ASN HD21 H 6.722 0.020 1
828 91 91 ASN HD22 H 7.572 0.020 1
829 91 91 ASN C C 173.716 0.3 1
830 91 91 ASN CA C 54.306 0.3 1
831 91 91 ASN CB C 36.930 0.3 1
832 91 91 ASN N N 114.731 0.3 1
833 91 91 ASN ND2 N 114.136 0.3 1
834 92 92 ASP H H 8.272 0.020 1
835 92 92 ASP HA H 3.812 0.020 1
836 92 92 ASP HB2 H 2.608 0.020 2
837 92 92 ASP HB3 H 2.732 0.020 2
838 92 92 ASP C C 175.028 0.3 1
839 92 92 ASP CA C 55.519 0.3 1
840 92 92 ASP CB C 39.173 0.3 1
841 92 92 ASP N N 110.149 0.3 1
842 93 93 LEU H H 7.043 0.020 1
843 93 93 LEU HA H 4.171 0.020 1
844 93 93 LEU HB2 H 1.207 0.020 2
845 93 93 LEU HB3 H 1.585 0.020 2
846 93 93 LEU HD1 H 0.747 0.020 2
847 93 93 LEU HD2 H 0.774 0.020 2
848 93 93 LEU C C 175.940 0.3 1
849 93 93 LEU CA C 54.728 0.3 1
850 93 93 LEU CB C 42.249 0.3 1
851 93 93 LEU CG C 26.116 0.3 1
852 93 93 LEU CD1 C 23.924 0.3 1
853 93 93 LEU CD2 C 25.383 0.3 1
854 93 93 LEU N N 119.334 0.3 1
855 94 94 VAL H H 8.502 0.020 1
856 94 94 VAL HA H 3.713 0.020 1
857 94 94 VAL HB H 1.827 0.020 1
858 94 94 VAL HG1 H 0.650 0.020 2
859 94 94 VAL HG2 H 0.830 0.020 2
860 94 94 VAL C C 175.993 0.3 1
861 94 94 VAL CA C 64.195 0.3 1
862 94 94 VAL CB C 31.253 0.3 1
863 94 94 VAL CG1 C 21.365 0.3 1
864 94 94 VAL CG2 C 21.881 0.3 1
865 94 94 VAL N N 125.271 0.3 1
866 95 95 LEU H H 9.377 0.020 1
867 95 95 LEU HA H 4.159 0.020 1
868 95 95 LEU HB2 H 1.262 0.020 2
869 95 95 LEU HB3 H 1.519 0.020 2
870 95 95 LEU HG H 1.817 0.020 1
871 95 95 LEU HD1 H 0.623 0.020 2
872 95 95 LEU HD2 H 0.965 0.020 2
873 95 95 LEU C C 177.361 0.3 1
874 95 95 LEU CA C 55.684 0.3 1
875 95 95 LEU CB C 42.454 0.3 1
876 95 95 LEU CG C 26.979 0.3 1
877 95 95 LEU CD1 C 22.114 0.3 1
878 95 95 LEU CD2 C 25.677 0.3 1
879 95 95 LEU N N 127.142 0.3 1
880 96 96 MET H H 7.480 0.020 1
881 96 96 MET HA H 4.532 0.020 1
882 96 96 MET HB2 H 1.650 0.020 2
883 96 96 MET HB3 H 2.116 0.020 2
884 96 96 MET HG2 H 2.183 0.020 2
885 96 96 MET HG3 H 2.329 0.020 2
886 96 96 MET C C 173.518 0.3 1
887 96 96 MET CA C 54.981 0.3 1
888 96 96 MET CB C 36.740 0.3 1
889 96 96 MET CG C 31.705 0.3 1
890 96 96 MET N N 112.901 0.3 1
891 97 97 SER H H 8.326 0.020 1
892 97 97 SER HA H 4.844 0.020 1
893 97 97 SER HB2 H 3.605 0.020 1
894 97 97 SER HB3 H 3.605 0.020 1
895 97 97 SER C C 172.748 0.3 1
896 97 97 SER CA C 56.707 0.3 1
897 97 97 SER CB C 64.406 0.3 1
898 97 97 SER N N 115.785 0.3 1
899 98 98 ASN H H 8.071 0.020 1
900 98 98 ASN HA H 4.498 0.020 1
901 98 98 ASN HB2 H 2.058 0.020 2
902 98 98 ASN HB3 H 2.366 0.020 2
903 98 98 ASN C C 172.093 0.3 1
904 98 98 ASN CA C 52.115 0.3 1
905 98 98 ASN CB C 42.543 0.3 1
906 98 98 ASN N N 122.291 0.3 1
907 99 99 GLN H H 9.254 0.020 1
908 99 99 GLN HA H 5.498 0.020 1
909 99 99 GLN HB2 H 1.741 0.020 2
910 99 99 GLN HB3 H 1.949 0.020 2
911 99 99 GLN HG2 H 2.002 0.020 1
912 99 99 GLN HG3 H 2.002 0.020 1
913 99 99 GLN C C 175.264 0.3 1
914 99 99 GLN CA C 54.123 0.3 1
915 99 99 GLN CB C 32.595 0.3 1
916 99 99 GLN CG C 33.386 0.3 1
917 99 99 GLN N N 117.458 0.3 1
918 100 100 VAL H H 8.727 0.020 1
919 100 100 VAL HA H 4.677 0.020 1
920 100 100 VAL HB H 1.959 0.020 1
921 100 100 VAL HG1 H 0.861 0.020 2
922 100 100 VAL HG2 H 0.871 0.020 2
923 100 100 VAL C C 173.634 0.3 1
924 100 100 VAL CA C 59.652 0.3 1
925 100 100 VAL CB C 34.169 0.3 1
926 100 100 VAL CG1 C 22.481 0.3 1
927 100 100 VAL CG2 C 20.192 0.3 1
928 100 100 VAL N N 116.230 0.3 1
929 101 101 GLN H H 8.600 0.020 1
930 101 101 GLN HA H 5.372 0.020 1
931 101 101 GLN HB2 H 1.768 0.020 2
932 101 101 GLN HB3 H 1.827 0.020 2
933 101 101 GLN HG2 H 2.183 0.020 1
934 101 101 GLN HG3 H 2.183 0.020 1
935 101 101 GLN C C 173.897 0.3 1
936 101 101 GLN CA C 54.764 0.3 1
937 101 101 GLN CB C 34.185 0.3 1
938 101 101 GLN CG C 34.348 0.3 1
939 101 101 GLN N N 122.155 0.3 1
940 102 102 VAL H H 8.599 0.020 1
941 102 102 VAL HA H 4.478 0.020 1
942 102 102 VAL HB H 1.947 0.020 1
943 102 102 VAL HG1 H 0.919 0.020 1
944 102 102 VAL HG2 H 0.919 0.020 1
945 102 102 VAL C C 172.571 0.3 1
946 102 102 VAL CA C 60.239 0.3 1
947 102 102 VAL CB C 35.081 0.3 1
948 102 102 VAL CG1 C 21.235 0.3 1
949 102 102 VAL CG2 C 21.355 0.3 1
950 102 102 VAL N N 121.390 0.3 1
951 103 103 GLN H H 8.321 0.020 1
952 103 103 GLN HA H 5.609 0.020 1
953 103 103 GLN HB2 H 1.764 0.020 2
954 103 103 GLN HB3 H 1.830 0.020 2
955 103 103 GLN HG2 H 2.026 0.020 2
956 103 103 GLN HG3 H 2.181 0.020 2
957 103 103 GLN C C 174.976 0.3 1
958 103 103 GLN CA C 54.219 0.3 1
959 103 103 GLN CB C 33.577 0.3 1
960 103 103 GLN CG C 34.156 0.3 1
961 103 103 GLN N N 124.059 0.3 1
962 104 104 LYS H H 8.919 0.020 1
963 104 104 LYS HA H 4.657 0.020 1
964 104 104 LYS HB2 H 1.671 0.020 2
965 104 104 LYS HB3 H 1.762 0.020 2
966 104 104 LYS C C 174.236 0.3 1
967 104 104 LYS CA C 54.326 0.3 1
968 104 104 LYS CB C 37.702 0.3 1
969 104 104 LYS N N 123.508 0.3 1
970 105 105 VAL H H 8.260 0.020 1
971 105 105 VAL HA H 5.112 0.020 1
972 105 105 VAL HB H 1.805 0.020 1
973 105 105 VAL HG1 H 0.740 0.020 2
974 105 105 VAL HG2 H 0.807 0.020 2
975 105 105 VAL C C 175.505 0.3 1
976 105 105 VAL CA C 60.630 0.3 1
977 105 105 VAL CB C 33.812 0.3 1
978 105 105 VAL CG1 C 21.142 0.3 1
979 105 105 VAL CG2 C 21.198 0.3 1
980 105 105 VAL N N 121.315 0.3 1
981 106 106 TYR H H 9.063 0.020 1
982 106 106 TYR HA H 4.810 0.020 1
983 106 106 TYR HB2 H 2.675 0.020 2
984 106 106 TYR HB3 H 2.821 0.020 2
985 106 106 TYR HD1 H 6.794 0.020 1
986 106 106 TYR HD2 H 6.794 0.020 1
987 106 106 TYR HE1 H 6.525 0.020 1
988 106 106 TYR HE2 H 6.525 0.020 1
989 106 106 TYR C C 172.305 0.3 1
990 106 106 TYR CA C 56.004 0.3 1
991 106 106 TYR CB C 41.395 0.3 1
992 106 106 TYR CD1 C 133.003 0.3 1
993 106 106 TYR CD2 C 133.003 0.3 1
994 106 106 TYR CE1 C 117.871 0.3 1
995 106 106 TYR CE2 C 117.871 0.3 1
996 106 106 TYR N N 126.079 0.3 1
997 107 107 VAL H H 8.061 0.020 1
998 107 107 VAL HA H 4.317 0.020 1
999 107 107 VAL HB H 1.752 0.020 1
1000 107 107 VAL HG1 H 0.643 0.020 1
1001 107 107 VAL HG2 H 0.643 0.020 1
1002 107 107 VAL CG2 C 20.936 0.3 1
1003 107 107 VAL N N 122.345 0.3 1
1004 108 108 HIS H H 8.704 0.020 1
1005 108 108 HIS HA H 4.519 0.020 1
1006 108 108 HIS HB2 H 2.785 0.020 2
1007 108 108 HIS HB3 H 3.077 0.020 2
1008 108 108 HIS HD2 H 7.011 0.020 1
1009 108 108 HIS C C 173.558 0.3 1
1010 108 108 HIS CA C 55.670 0.3 1
1011 108 108 HIS CB C 31.110 0.3 1
1012 108 108 HIS CD2 C 119.499 0.3 1
1013 108 108 HIS N N 126.177 0.3 1
1014 109 109 ASP H H 8.189 0.020 1
1015 109 109 ASP HA H 4.477 0.020 1
1016 109 109 ASP HB2 H 2.406 0.020 2
1017 109 109 ASP HB3 H 2.599 0.020 2
1018 109 109 ASP C C 176.580 0.3 1
1019 109 109 ASP CA C 52.732 0.3 1
1020 109 109 ASP CB C 41.649 0.3 1
1021 109 109 ASP N N 126.532 0.3 1
1022 110 110 GLU H H 8.583 0.020 1
1023 110 110 GLU HA H 3.909 0.020 1
1024 110 110 GLU HB2 H 1.927 0.020 1
1025 110 110 GLU HB3 H 1.927 0.020 1
1026 110 110 GLU C C 176.637 0.3 1
1027 110 110 GLU CA C 57.604 0.3 1
1028 110 110 GLU CB C 29.328 0.3 1
1029 110 110 GLU CG C 35.781 0.3 1
1030 110 110 GLU N N 123.526 0.3 1
1031 111 111 ASN H H 8.381 0.020 1
1032 111 111 ASN HA H 4.560 0.020 1
1033 111 111 ASN HB2 H 2.692 0.020 1
1034 111 111 ASN HB3 H 2.692 0.020 1
1035 111 111 ASN HD21 H 6.839 0.020 1
1036 111 111 ASN HD22 H 7.714 0.020 1
1037 111 111 ASN C C 174.960 0.3 1
1038 111 111 ASN CA C 53.556 0.3 1
1039 111 111 ASN CB C 38.658 0.3 1
1040 111 111 ASN N N 116.052 0.3 1
1041 111 111 ASN ND2 N 114.220 0.3 1
1042 112 112 ASN H H 7.698 0.020 1
1043 112 112 ASN HA H 4.599 0.020 1
1044 112 112 ASN HB2 H 2.543 0.020 2
1045 112 112 ASN HB3 H 2.783 0.020 2
1046 112 112 ASN HD21 H 6.835 0.020 1
1047 112 112 ASN HD22 H 7.668 0.020 1
1048 112 112 ASN C C 175.021 0.3 1
1049 112 112 ASN CA C 52.453 0.3 1
1050 112 112 ASN CB C 38.144 0.3 1
1051 112 112 ASN N N 118.383 0.3 1
1052 112 112 ASN ND2 N 112.004 0.3 1
1053 113 113 LEU H H 8.318 0.020 1
1054 113 113 LEU HA H 4.059 0.020 1
1055 113 113 LEU HB2 H 1.581 0.020 1
1056 113 113 LEU HB3 H 1.581 0.020 1
1057 113 113 LEU HD1 H 0.791 0.020 1
1058 113 113 LEU HD2 H 0.791 0.020 1
1059 113 113 LEU C C 178.231 0.3 1
1060 113 113 LEU CA C 56.547 0.3 1
1061 113 113 LEU CB C 41.602 0.3 1
1062 113 113 LEU CG C 26.651 0.3 1
1063 113 113 LEU CD1 C 23.158 0.3 1
1064 113 113 LEU CD2 C 24.780 0.3 1
1065 113 113 LEU N N 123.168 0.3 1
1066 114 114 ILE H H 7.903 0.020 1
1067 114 114 ILE HA H 3.987 0.020 1
1068 114 114 ILE HB H 1.750 0.020 1
1069 114 114 ILE HG12 H 1.090 0.020 2
1070 114 114 ILE HG13 H 1.402 0.020 2
1071 114 114 ILE HG2 H 0.795 0.020 1
1072 114 114 ILE HD1 H 0.727 0.020 1
1073 114 114 ILE C C 177.277 0.3 1
1074 114 114 ILE CA C 61.888 0.3 1
1075 114 114 ILE CB C 38.014 0.3 1
1076 114 114 ILE CG1 C 27.300 0.3 1
1077 114 114 ILE CG2 C 17.112 0.3 1
1078 114 114 ILE CD1 C 12.593 0.3 1
1079 114 114 ILE N N 118.587 0.3 1
1080 115 115 GLY H H 8.091 0.020 1
1081 115 115 GLY HA2 H 3.889 0.020 1
1082 115 115 GLY HA3 H 3.889 0.020 1
1083 115 115 GLY C C 175.309 0.3 1
1084 115 115 GLY CA C 45.748 0.3 1
1085 115 115 GLY N N 110.527 0.3 1
1086 116 116 SER H H 8.274 0.020 1
1087 116 116 SER HA H 4.274 0.020 1
1088 116 116 SER HB2 H 3.790 0.020 1
1089 116 116 SER HB3 H 3.790 0.020 1
1090 116 116 SER C C 175.338 0.3 1
1091 116 116 SER CA C 60.457 0.3 1
1092 116 116 SER CB C 63.087 0.3 1
1093 116 116 SER N N 116.817 0.3 1
1094 117 117 ASP H H 8.478 0.020 1
1095 117 117 ASP HA H 4.353 0.020 1
1096 117 117 ASP HB2 H 2.580 0.020 1
1097 117 117 ASP HB3 H 2.580 0.020 1
1098 117 117 ASP C C 178.565 0.3 1
1099 117 117 ASP CA C 56.480 0.3 1
1100 117 117 ASP CB C 40.113 0.3 1
1101 117 117 ASP N N 121.707 0.3 1
1102 118 118 GLN H H 8.000 0.020 1
1103 118 118 GLN HA H 4.009 0.020 1
1104 118 118 GLN HB2 H 2.017 0.020 1
1105 118 118 GLN HB3 H 2.017 0.020 1
1106 118 118 GLN HG2 H 2.309 0.020 1
1107 118 118 GLN HG3 H 2.309 0.020 1
1108 118 118 GLN C C 176.125 0.3 1
1109 118 118 GLN CA C 58.435 0.3 1
1110 118 118 GLN CB C 28.016 0.3 1
1111 118 118 GLN CG C 33.692 0.3 1
1112 118 118 GLN N N 120.557 0.3 1
1113 119 119 GLU H H 8.154 0.020 1
1114 119 119 GLU HA H 3.887 0.020 1
1115 119 119 GLU HB2 H 2.006 0.020 1
1116 119 119 GLU HB3 H 2.006 0.020 1
1117 119 119 GLU HG2 H 2.216 0.020 1
1118 119 119 GLU HG3 H 2.216 0.020 1
1119 119 119 GLU C C 178.526 0.3 1
1120 119 119 GLU CA C 59.168 0.3 1
1121 119 119 GLU CB C 29.598 0.3 1
1122 119 119 GLU CG C 36.134 0.3 1
1123 119 119 GLU N N 121.093 0.3 1
1124 120 120 ALA H H 8.022 0.020 1
1125 120 120 ALA HA H 3.588 0.020 1
1126 120 120 ALA HB H 1.159 0.020 1
1127 120 120 ALA C C 179.194 0.3 1
1128 120 120 ALA CA C 54.712 0.3 1
1129 120 120 ALA CB C 17.532 0.3 1
1130 120 120 ALA N N 121.017 0.3 1
1131 121 121 ALA H H 7.716 0.020 1
1132 121 121 ALA HA H 3.849 0.020 1
1133 121 121 ALA HB H 1.349 0.020 1
1134 121 121 ALA C C 176.545 0.3 1
1135 121 121 ALA CA C 54.999 0.3 1
1136 121 121 ALA CB C 17.817 0.3 1
1137 121 121 ALA N N 119.511 0.3 1
1138 122 122 GLN H H 7.938 0.020 1
1139 122 122 GLN HA H 3.973 0.020 1
1140 122 122 GLN HB2 H 2.049 0.020 1
1141 122 122 GLN HB3 H 2.049 0.020 1
1142 122 122 GLN HG2 H 2.320 0.020 1
1143 122 122 GLN HG3 H 2.320 0.020 1
1144 122 122 GLN CA C 58.553 0.3 1
1145 122 122 GLN CB C 27.701 0.3 1
1146 122 122 GLN CG C 33.570 0.3 1
1147 122 122 GLN N N 119.148 0.3 1
1148 123 123 LEU H H 7.900 0.020 1
1149 123 123 LEU HA H 3.956 0.020 1
1150 123 123 LEU HB2 H 1.463 0.020 2
1151 123 123 LEU HB3 H 1.537 0.020 2
1152 123 123 LEU HG H 1.459 0.020 1
1153 123 123 LEU HD1 H 0.571 0.020 2
1154 123 123 LEU HD2 H 0.632 0.020 2
1155 123 123 LEU C C 179.344 0.3 1
1156 123 123 LEU CA C 57.763 0.3 1
1157 123 123 LEU CB C 41.695 0.3 1
1158 123 123 LEU CG C 26.788 0.3 1
1159 123 123 LEU CD1 C 24.540 0.3 1
1160 123 123 LEU CD2 C 24.330 0.3 1
1161 123 123 LEU N N 121.146 0.3 1
1162 124 124 ARG H H 8.194 0.020 1
1163 124 124 ARG HA H 3.876 0.020 1
1164 124 124 ARG HB2 H 1.726 0.020 2
1165 124 124 ARG HB3 H 1.857 0.020 2
1166 124 124 ARG HG2 H 1.411 0.020 1
1167 124 124 ARG HG3 H 1.411 0.020 1
1168 124 124 ARG C C 179.699 0.3 1
1169 124 124 ARG CA C 59.587 0.3 1
1170 124 124 ARG CB C 29.571 0.3 1
1171 124 124 ARG N N 117.698 0.3 1
1172 125 125 SER H H 7.784 0.020 1
1173 125 125 SER HA H 4.055 0.020 1
1174 125 125 SER HB2 H 3.891 0.020 1
1175 125 125 SER HB3 H 3.891 0.020 1
1176 125 125 SER C C 179.710 0.3 1
1177 125 125 SER CA C 59.360 0.3 1
1178 125 125 SER CB C 62.382 0.3 1
1179 125 125 SER N N 115.296 0.3 1
1180 126 126 GLU H H 7.961 0.020 1
1181 126 126 GLU HA H 3.890 0.020 1
1182 126 126 GLU HB2 H 1.990 0.020 2
1183 126 126 GLU HB3 H 2.109 0.020 2
1184 126 126 GLU HG2 H 2.324 0.020 1
1185 126 126 GLU HG3 H 2.324 0.020 1
1186 126 126 GLU N N 123.239 0.3 1
1187 127 127 MET H H 8.409 0.020 1
1188 127 127 MET HA H 3.891 0.020 1
1189 127 127 MET HB2 H 1.954 0.020 2
1190 127 127 MET HB3 H 2.093 0.020 2
1191 127 127 MET HG2 H 2.678 0.020 1
1192 127 127 MET HG3 H 2.678 0.020 1
1193 127 127 MET N N 118.440 0.3 1
1194 129 129 ARG H H 7.579 0.020 1
1195 129 129 ARG HA H 3.848 0.020 1
1196 129 129 ARG HB2 H 1.856 0.020 1
1197 129 129 ARG HB3 H 1.856 0.020 1
1198 129 129 ARG N N 118.026 0.3 1
1199 130 130 ASP H H 7.946 0.020 1
1200 130 130 ASP HA H 4.262 0.020 1
1201 130 130 ASP HB2 H 2.702 0.020 1
1202 130 130 ASP HB3 H 2.702 0.020 1
1203 130 130 ASP CA C 57.362 0.3 1
1204 130 130 ASP CB C 41.111 0.3 1
1205 130 130 ASP N N 120.072 0.3 1
1206 131 131 LEU H H 8.212 0.020 1
1207 131 131 LEU HA H 3.839 0.020 1
1208 131 131 LEU HB2 H 1.406 0.020 2
1209 131 131 LEU HB3 H 1.566 0.020 2
1210 131 131 LEU HD1 H 0.654 0.020 1
1211 131 131 LEU HD2 H 0.654 0.020 1
1212 131 131 LEU N N 120.408 0.3 1
1213 132 132 ILE H H 8.183 0.020 1
1214 132 132 ILE HA H 3.440 0.020 1
1215 132 132 ILE HB H 1.960 0.020 1
1216 132 132 ILE HG12 H 1.114 0.020 2
1217 132 132 ILE HG13 H 1.500 0.020 2
1218 132 132 ILE HG2 H 0.749 0.020 1
1219 132 132 ILE HD1 H 0.675 0.020 1
1220 132 132 ILE CA C 64.309 0.3 1
1221 132 132 ILE CB C 36.324 0.3 1
1222 132 132 ILE CG1 C 28.935 0.3 1
1223 132 132 ILE CG2 C 17.683 0.3 1
1224 132 132 ILE CD1 C 12.731 0.3 1
1225 132 132 ILE N N 118.499 0.3 1
1226 133 133 GLN H H 8.224 0.020 1
1227 133 133 GLN HA H 3.900 0.020 1
1228 133 133 GLN HB2 H 2.140 0.020 1
1229 133 133 GLN HB3 H 2.140 0.020 1
1230 133 133 GLN HG2 H 2.324 0.020 1
1231 133 133 GLN HG3 H 2.324 0.020 1
1232 133 133 GLN CA C 59.285 0.3 1
1233 133 133 GLN CB C 27.720 0.3 1
1234 133 133 GLN CG C 33.723 0.3 1
1235 133 133 GLN N N 121.151 0.3 1
1236 134 134 GLN H H 8.377 0.020 1
1237 134 134 GLN HA H 3.898 0.020 1
1238 134 134 GLN HB2 H 2.073 0.020 1
1239 134 134 GLN HB3 H 2.073 0.020 1
1240 134 134 GLN HG2 H 2.549 0.020 1
1241 134 134 GLN HG3 H 2.549 0.020 1
1242 134 134 GLN HE22 H 7.543 0.020 1
1243 134 134 GLN CA C 59.616 0.3 1
1244 134 134 GLN CB C 29.344 0.3 1
1245 134 134 GLN CG C 34.720 0.3 1
1246 134 134 GLN N N 118.656 0.3 1
1247 135 135 LEU H H 8.327 0.020 1
1248 135 135 LEU HA H 3.623 0.020 1
1249 135 135 LEU HB2 H 1.285 0.020 1
1250 135 135 LEU HB3 H 1.285 0.020 1
1251 135 135 LEU HG H 1.266 0.020 1
1252 135 135 LEU HD1 H 0.252 0.020 2
1253 135 135 LEU HD2 H 0.240 0.020 2
1254 135 135 LEU C C 178.231 0.3 1
1255 135 135 LEU CA C 58.204 0.3 1
1256 135 135 LEU CB C 41.891 0.3 1
1257 135 135 LEU CG C 27.305 0.3 1
1258 135 135 LEU CD1 C 23.853 0.3 1
1259 135 135 LEU CD2 C 24.891 0.3 1
1260 135 135 LEU N N 120.442 0.3 1
1261 136 136 SER H H 8.411 0.020 1
1262 136 136 SER HA H 3.840 0.020 1
1263 136 136 SER HB2 H 3.763 0.020 1
1264 136 136 SER HB3 H 3.763 0.020 1
1265 136 136 SER CA C 62.681 0.3 1
1266 136 136 SER CB C 62.853 0.3 1
1267 136 136 SER N N 113.641 0.3 1
1268 137 137 MET H H 8.069 0.020 1
1269 137 137 MET HA H 3.962 0.020 1
1270 137 137 MET HB2 H 1.955 0.020 2
1271 137 137 MET HB3 H 2.086 0.020 2
1272 137 137 MET HG2 H 2.442 0.020 2
1273 137 137 MET HG3 H 2.628 0.020 2
1274 137 137 MET C C 179.626 0.3 1
1275 137 137 MET CA C 58.585 0.3 1
1276 137 137 MET CB C 32.167 0.3 1
1277 137 137 MET CG C 32.203 0.3 1
1278 137 137 MET N N 118.314 0.3 1
1279 138 138 ARG H H 7.798 0.020 1
1280 138 138 ARG HA H 3.946 0.020 1
1281 138 138 ARG HB2 H 1.683 0.020 2
1282 138 138 ARG HB3 H 1.931 0.020 2
1283 138 138 ARG HG2 H 1.391 0.020 1
1284 138 138 ARG HG3 H 1.391 0.020 1
1285 138 138 ARG C C 179.878 0.3 1
1286 138 138 ARG CA C 58.280 0.3 1
1287 138 138 ARG CB C 28.946 0.3 1
1288 138 138 ARG N N 118.991 0.3 1
1289 139 139 LEU H H 7.844 0.020 1
1290 139 139 LEU HA H 3.910 0.020 1
1291 139 139 LEU HB2 H 1.719 0.020 1
1292 139 139 LEU HB3 H 1.719 0.020 1
1293 139 139 LEU HD1 H 0.558 0.020 2
1294 139 139 LEU HD2 H 0.620 0.020 2
1295 139 139 LEU C C 178.953 0.3 1
1296 139 139 LEU CA C 56.982 0.3 1
1297 139 139 LEU CB C 41.620 0.3 1
1298 139 139 LEU CG C 26.302 0.3 1
1299 139 139 LEU CD1 C 22.669 0.3 1
1300 139 139 LEU CD2 C 25.920 0.3 1
1301 139 139 LEU N N 118.356 0.3 1
1302 140 140 GLN H H 7.957 0.020 1
1303 140 140 GLN HA H 3.336 0.020 1
1304 140 140 GLN HB2 H 1.565 0.020 2
1305 140 140 GLN HB3 H 1.837 0.020 2
1306 140 140 GLN HG2 H 1.444 0.020 2
1307 140 140 GLN HG3 H 1.776 0.020 2
1308 140 140 GLN HE21 H 6.466 0.020 1
1309 140 140 GLN HE22 H 6.630 0.020 1
1310 140 140 GLN C C 175.613 0.3 1
1311 140 140 GLN CA C 58.180 0.3 1
1312 140 140 GLN CB C 28.471 0.3 1
1313 140 140 GLN CG C 34.149 0.3 1
1314 140 140 GLN N N 118.057 0.3 1
1315 140 140 GLN NE2 N 110.257 0.3 1
1316 141 141 ALA H H 6.866 0.020 1
1317 141 141 ALA HA H 4.142 0.020 1
1318 141 141 ALA HB H 1.338 0.020 1
1319 141 141 ALA C C 177.784 0.3 1
1320 141 141 ALA CA C 51.959 0.3 1
1321 141 141 ALA CB C 19.007 0.3 1
1322 141 141 ALA N N 116.954 0.3 1
1323 142 142 LEU H H 6.987 0.020 1
1324 142 142 LEU HA H 4.513 0.020 1
1325 142 142 LEU HB2 H 1.824 0.020 1
1326 142 142 LEU HB3 H 1.824 0.020 1
1327 142 142 LEU HD1 H 0.691 0.020 1
1328 142 142 LEU HD2 H 0.691 0.020 1
1329 142 142 LEU C C 176.673 0.3 1
1330 142 142 LEU CA C 54.505 0.3 1
1331 142 142 LEU CB C 43.211 0.3 1
1332 142 142 LEU CG C 25.891 0.3 1
1333 142 142 LEU CD1 C 23.175 0.3 1
1334 142 142 LEU CD2 C 23.217 0.3 1
1335 142 142 LEU N N 117.770 0.3 1
1336 143 143 THR H H 7.460 0.020 1
1337 143 143 THR HA H 4.781 0.020 1
1338 143 143 THR HB H 4.486 0.020 1
1339 143 143 THR HG2 H 1.090 0.020 1
1340 143 143 THR C C 173.488 0.3 1
1341 143 143 THR CA C 57.731 0.3 1
1342 143 143 THR CB C 69.561 0.3 1
1343 143 143 THR CG2 C 21.510 0.3 1
1344 143 143 THR N N 109.535 0.3 1
1345 144 144 PRO HA H 3.980 0.020 1
1346 144 144 PRO HB2 H 2.471 0.020 2
1347 144 144 PRO HB3 H 1.970 0.020 2
1348 144 144 PRO HG2 H 1.948 0.020 2
1349 144 144 PRO HG3 H 2.176 0.020 2
1350 144 144 PRO HD2 H 3.399 0.020 2
1351 144 144 PRO HD3 H 3.867 0.020 2
1352 144 144 PRO CA C 65.546 0.3 1
1353 144 144 PRO CB C 31.597 0.3 1
1354 144 144 PRO CG C 27.981 0.3 1
1355 144 144 PRO CD C 50.623 0.3 1
1356 145 145 ALA H H 7.993 0.020 1
1357 145 145 ALA HA H 4.056 0.020 1
1358 145 145 ALA HB H 1.307 0.020 1
1359 145 145 ALA CA C 55.023 0.3 1
1360 145 145 ALA CB C 18.087 0.3 1
1361 145 145 ALA N N 117.211 0.3 1
1362 146 146 GLN H H 7.718 0.020 1
1363 146 146 GLN HA H 3.963 0.020 1
1364 146 146 GLN HB2 H 2.136 0.020 1
1365 146 146 GLN HB3 H 2.136 0.020 1
1366 146 146 GLN HG2 H 2.314 0.020 1
1367 146 146 GLN HG3 H 2.314 0.020 1
1368 146 146 GLN C C 179.928 0.3 1
1369 146 146 GLN CA C 58.349 0.3 1
1370 146 146 GLN CB C 28.591 0.3 1
1371 146 146 GLN CG C 33.613 0.3 1
1372 146 146 GLN N N 118.478 0.3 1
1373 147 147 LEU H H 7.731 0.020 1
1374 147 147 LEU HA H 3.808 0.020 1
1375 147 147 LEU HB2 H 0.679 0.020 1
1376 147 147 LEU HB3 H 0.679 0.020 1
1377 147 147 LEU HG H 1.335 0.020 1
1378 147 147 LEU HD1 H 0.105 0.020 2
1379 147 147 LEU HD2 H 0.429 0.020 2
1380 147 147 LEU C C 178.060 0.3 1
1381 147 147 LEU CA C 57.753 0.3 1
1382 147 147 LEU CB C 40.179 0.3 1
1383 147 147 LEU CG C 26.292 0.3 1
1384 147 147 LEU CD1 C 25.079 0.3 1
1385 147 147 LEU CD2 C 22.436 0.3 1
1386 147 147 LEU N N 121.575 0.3 1
1387 148 148 ASP H H 8.679 0.020 1
1388 148 148 ASP HA H 4.438 0.020 1
1389 148 148 ASP HB2 H 2.597 0.020 2
1390 148 148 ASP HB3 H 2.714 0.020 2
1391 148 148 ASP C C 179.343 0.3 1
1392 148 148 ASP CA C 57.107 0.3 1
1393 148 148 ASP CB C 40.248 0.3 1
1394 148 148 ASP N N 120.271 0.3 1
1395 149 149 GLU H H 7.736 0.020 1
1396 149 149 GLU HA H 4.112 0.020 1
1397 149 149 GLU HB2 H 1.920 0.020 2
1398 149 149 GLU HB3 H 2.039 0.020 2
1399 149 149 GLU HG2 H 2.190 0.020 2
1400 149 149 GLU HG3 H 2.243 0.020 2
1401 149 149 GLU C C 178.408 0.3 1
1402 149 149 GLU CA C 58.770 0.3 1
1403 149 149 GLU CB C 28.795 0.3 1
1404 149 149 GLU CG C 35.244 0.3 1
1405 149 149 GLU N N 120.247 0.3 1
1406 150 150 ALA H H 7.992 0.020 1
1407 150 150 ALA HA H 4.140 0.020 1
1408 150 150 ALA HB H 1.502 0.020 1
1409 150 150 ALA C C 180.839 0.3 1
1410 150 150 ALA CA C 54.787 0.3 1
1411 150 150 ALA CB C 17.769 0.3 1
1412 150 150 ALA N N 121.954 0.3 1
1413 151 151 GLN H H 8.782 0.020 1
1414 151 151 GLN HA H 3.823 0.020 1
1415 151 151 GLN HB2 H 2.448 0.020 1
1416 151 151 GLN HB3 H 2.448 0.020 1
1417 151 151 GLN HG2 H 2.161 0.020 2
1418 151 151 GLN HG3 H 2.413 0.020 2
1419 151 151 GLN HE21 H 6.623 0.020 1
1420 151 151 GLN HE22 H 7.896 0.020 1
1421 151 151 GLN C C 177.510 0.3 1
1422 151 151 GLN CA C 59.430 0.3 1
1423 151 151 GLN CB C 27.940 0.3 1
1424 151 151 GLN CG C 33.150 0.3 1
1425 151 151 GLN N N 121.355 0.3 1
1426 151 151 GLN NE2 N 113.156 0.3 1
1427 152 152 ARG H H 8.014 0.020 1
1428 152 152 ARG HA H 4.020 0.020 1
1429 152 152 ARG HB2 H 1.800 0.020 2
1430 152 152 ARG HB3 H 1.955 0.020 2
1431 152 152 ARG C C 180.673 0.3 1
1432 152 152 ARG CA C 59.722 0.3 1
1433 152 152 ARG CB C 30.129 0.3 1
1434 152 152 ARG N N 119.576 0.3 1
1435 153 153 GLN H H 8.281 0.020 1
1436 153 153 GLN HA H 4.013 0.020 1
1437 153 153 GLN HB2 H 2.063 0.020 1
1438 153 153 GLN HB3 H 2.063 0.020 1
1439 153 153 GLN HG2 H 2.351 0.020 2
1440 153 153 GLN HG3 H 2.517 0.020 2
1441 153 153 GLN C C 178.810 0.3 1
1442 153 153 GLN CA C 58.647 0.3 1
1443 153 153 GLN CB C 27.841 0.3 1
1444 153 153 GLN CG C 33.556 0.3 1
1445 153 153 GLN N N 118.474 0.3 1
1446 154 154 ALA H H 8.379 0.020 1
1447 154 154 ALA HA H 4.148 0.020 1
1448 154 154 ALA HB H 1.464 0.020 1
1449 154 154 ALA C C 181.219 0.3 1
1450 154 154 ALA CA C 54.938 0.3 1
1451 154 154 ALA CB C 18.474 0.3 1
1452 154 154 ALA N N 123.366 0.3 1
1453 155 155 GLU H H 8.593 0.020 1
1454 155 155 GLU HA H 3.852 0.020 1
1455 155 155 GLU HB2 H 1.927 0.020 2
1456 155 155 GLU HB3 H 2.083 0.020 2
1457 155 155 GLU HG2 H 2.162 0.020 2
1458 155 155 GLU HG3 H 2.447 0.020 2
1459 155 155 GLU C C 181.624 0.3 1
1460 155 155 GLU CA C 59.224 0.3 1
1461 155 155 GLU CB C 29.183 0.3 1
1462 155 155 GLU CG C 36.925 0.3 1
1463 155 155 GLU N N 119.814 0.3 1
1464 156 156 ALA H H 7.786 0.020 1
1465 156 156 ALA HA H 4.066 0.020 1
1466 156 156 ALA HB H 1.434 0.020 1
1467 156 156 ALA C C 180.926 0.3 1
1468 156 156 ALA CA C 54.703 0.3 1
1469 156 156 ALA CB C 17.610 0.3 1
1470 156 156 ALA N N 121.979 0.3 1
1471 157 157 LYS H H 7.907 0.020 1
1472 157 157 LYS HA H 4.010 0.020 1
1473 157 157 LYS HB2 H 1.836 0.020 1
1474 157 157 LYS HB3 H 1.836 0.020 1
1475 157 157 LYS C C 178.564 0.3 1
1476 157 157 LYS CA C 58.684 0.3 1
1477 157 157 LYS CB C 31.471 0.3 1
1478 157 157 LYS N N 119.944 0.3 1
1479 158 158 ALA H H 7.849 0.020 1
1480 158 158 ALA HA H 4.091 0.020 1
1481 158 158 ALA HB H 1.412 0.020 1
1482 158 158 ALA CA C 54.712 0.3 1
1483 158 158 ALA CB C 17.795 0.3 1
1484 158 158 ALA N N 121.041 0.3 1
1485 159 159 LYS H H 7.886 0.020 1
1486 159 159 LYS HA H 4.006 0.020 1
1487 159 159 LYS HB2 H 1.787 0.020 1
1488 159 159 LYS HB3 H 1.787 0.020 1
1489 159 159 LYS HG2 H 1.312 0.020 2
1490 159 159 LYS HG3 H 1.433 0.020 2
1491 159 159 LYS HD2 H 1.558 0.020 1
1492 159 159 LYS HD3 H 1.558 0.020 1
1493 159 159 LYS HE2 H 2.882 0.020 1
1494 159 159 LYS HE3 H 2.882 0.020 1
1495 159 159 LYS CA C 58.720 0.3 1
1496 159 159 LYS CB C 32.568 0.3 1
1497 159 159 LYS CG C 24.760 0.3 1
1498 159 159 LYS CD C 29.218 0.3 1
1499 159 159 LYS CE C 41.970 0.3 1
1500 159 159 LYS N N 118.733 0.3 1
1501 160 160 ALA H H 7.723 0.020 1
1502 160 160 ALA HA H 4.103 0.020 1
1503 160 160 ALA HB H 1.394 0.020 1
1504 160 160 ALA CA C 54.342 0.3 1
1505 160 160 ALA CB C 17.929 0.3 1
1506 160 160 ALA N N 121.395 0.3 1
1507 161 161 GLU H H 8.066 0.020 1
1508 161 161 GLU HA H 3.996 0.020 1
1509 161 161 GLU HB2 H 1.937 0.020 1
1510 161 161 GLU HB3 H 1.937 0.020 1
1511 161 161 GLU HG2 H 2.152 0.020 2
1512 161 161 GLU HG3 H 2.330 0.020 2
1513 161 161 GLU CA C 58.087 0.3 1
1514 161 161 GLU CB C 29.453 0.3 1
1515 161 161 GLU CG C 36.350 0.3 1
1516 161 161 GLU N N 118.001 0.3 1
1517 162 162 ALA H H 7.719 0.020 1
1518 162 162 ALA HA H 4.103 0.020 1
1519 162 162 ALA HB H 1.383 0.020 1
1520 162 162 ALA C C 180.513 0.3 1
1521 162 162 ALA CA C 53.743 0.3 1
1522 162 162 ALA CB C 18.250 0.3 1
1523 162 162 ALA N N 121.483 0.3 1
1524 163 163 GLU H H 7.889 0.020 1
1525 163 163 GLU HA H 4.027 0.020 1
1526 163 163 GLU HB2 H 1.929 0.020 1
1527 163 163 GLU HB3 H 1.929 0.020 1
1528 163 163 GLU HG2 H 2.153 0.020 2
1529 163 163 GLU HG3 H 2.308 0.020 2
1530 163 163 GLU C C 174.054 0.3 1
1531 163 163 GLU CA C 57.185 0.3 1
1532 163 163 GLU CB C 29.586 0.3 1
1533 163 163 GLU CG C 36.079 0.3 1
1534 163 163 GLU N N 117.589 0.3 1
1535 164 164 ALA H H 7.586 0.020 1
1536 164 164 ALA HA H 4.162 0.020 1
1537 164 164 ALA HB H 1.330 0.020 1
1538 164 164 ALA C C 176.384 0.3 1
1539 164 164 ALA CA C 52.656 0.3 1
1540 164 164 ALA CB C 18.655 0.3 1
1541 164 164 ALA N N 121.791 0.3 1
1542 165 165 LEU H H 7.675 0.020 1
1543 165 165 LEU HA H 4.221 0.020 1
1544 165 165 LEU HB2 H 1.581 0.020 1
1545 165 165 LEU HB3 H 1.581 0.020 1
1546 165 165 LEU HD1 H 0.757 0.020 2
1547 165 165 LEU HD2 H 0.810 0.020 2
1548 165 165 LEU C C 179.010 0.3 1
1549 165 165 LEU CA C 54.951 0.3 1
1550 165 165 LEU CB C 41.906 0.3 1
1551 165 165 LEU CG C 26.577 0.3 1
1552 165 165 LEU CD1 C 23.105 0.3 1
1553 165 165 LEU CD2 C 24.872 0.3 1
1554 165 165 LEU N N 119.834 0.3 1
1555 166 166 ARG H H 7.544 0.020 1
1556 166 166 ARG HA H 4.041 0.020 1
1557 166 166 ARG HB2 H 1.616 0.020 2
1558 166 166 ARG HB3 H 1.738 0.020 2
1559 166 166 ARG HG2 H 1.501 0.020 1
1560 166 166 ARG HG3 H 1.501 0.020 1
1561 166 166 ARG HD2 H 3.071 0.020 1
1562 166 166 ARG HD3 H 3.071 0.020 1
1563 166 166 ARG C C 178.357 0.3 1
1564 166 166 ARG CA C 57.423 0.3 1
1565 166 166 ARG CB C 31.315 0.3 1
1566 166 166 ARG CG C 27.056 0.3 1
1567 166 166 ARG CD C 43.375 0.3 1
1568 166 166 ARG N N 126.085 0.3 1
stop_
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