data_10080
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of mouse putative 42-9-9 protein
;
_BMRB_accession_number 10080
_BMRB_flat_file_name bmr10080.str
_Entry_type original
_Submission_date 2007-01-23
_Accession_date 2007-01-24
_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 Tochio N. . .
2 Koshiba S. . .
3 Inoue M. . .
4 Kigawa T. . .
5 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 744
"13C chemical shifts" 586
"15N chemical shifts" 132
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of mouse putative 42-9-9 protein'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Koshiba S. . .
3 Inoue M. . .
4 Kigawa T. . .
5 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'putative 42-9-9 protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'putative 42-9-9 protein' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'putative 42-9-9 protein'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 130
_Mol_residue_sequence
;
GSEGAATMATFEEVSVLGFE
EFDKAVKEHESKTIFAYFSG
SKDTEGKSWCPDCVEAEPVI
REGLKHVTEDCVFIYCQVGD
KPYWKDPNNDFRQKLKITAV
PTLLKYGTPQKLVESECCQS
SLVEMIFSED
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 GLU 4 GLY 5 ALA
6 ALA 7 THR 8 MET 9 ALA 10 THR
11 PHE 12 GLU 13 GLU 14 VAL 15 SER
16 VAL 17 LEU 18 GLY 19 PHE 20 GLU
21 GLU 22 PHE 23 ASP 24 LYS 25 ALA
26 VAL 27 LYS 28 GLU 29 HIS 30 GLU
31 SER 32 LYS 33 THR 34 ILE 35 PHE
36 ALA 37 TYR 38 PHE 39 SER 40 GLY
41 SER 42 LYS 43 ASP 44 THR 45 GLU
46 GLY 47 LYS 48 SER 49 TRP 50 CYS
51 PRO 52 ASP 53 CYS 54 VAL 55 GLU
56 ALA 57 GLU 58 PRO 59 VAL 60 ILE
61 ARG 62 GLU 63 GLY 64 LEU 65 LYS
66 HIS 67 VAL 68 THR 69 GLU 70 ASP
71 CYS 72 VAL 73 PHE 74 ILE 75 TYR
76 CYS 77 GLN 78 VAL 79 GLY 80 ASP
81 LYS 82 PRO 83 TYR 84 TRP 85 LYS
86 ASP 87 PRO 88 ASN 89 ASN 90 ASP
91 PHE 92 ARG 93 GLN 94 LYS 95 LEU
96 LYS 97 ILE 98 THR 99 ALA 100 VAL
101 PRO 102 THR 103 LEU 104 LEU 105 LYS
106 TYR 107 GLY 108 THR 109 PRO 110 GLN
111 LYS 112 LEU 113 VAL 114 GLU 115 SER
116 GLU 117 CYS 118 CYS 119 GLN 120 SER
121 SER 122 LEU 123 VAL 124 GLU 125 MET
126 ILE 127 PHE 128 SER 129 GLU 130 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1V9W "Solution Structure Of Mouse Putative 42-9-9 Protein" 100.00 130 100.00 100.00 9.11e-90
DBJ BAB23225 "unnamed protein product [Mus musculus]" 94.62 123 100.00 100.00 1.62e-84
DBJ BAB25126 "unnamed protein product [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
DBJ BAB28648 "unnamed protein product [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
DBJ BAC36336 "unnamed protein product [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
DBJ BAE41434 "unnamed protein product [Mus musculus]" 94.62 123 97.56 98.37 6.80e-82
EMBL CAC51438 "putative 42-9-9 protein [Mus musculus]" 94.62 123 98.37 99.19 3.30e-83
GB AAH30344 "Thioredoxin domain containing 17 [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
GB EDL12664 "thioredoxin-like 5, isoform CRA_a [Mus musculus]" 57.69 75 98.67 98.67 3.62e-45
GB EDL12665 "thioredoxin-like 5, isoform CRA_b [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
REF NP_080835 "thioredoxin domain-containing protein 17 [Mus musculus]" 94.62 123 99.19 99.19 1.21e-83
SP Q9CQM5 "RecName: Full=Thioredoxin domain-containing protein 17; AltName: Full=14 kDa thioredoxin-related protein; Short=TRP14; AltName:" 94.62 123 99.19 99.19 1.21e-83
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 mouse 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P020128-01
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.9 mM '[U-13C; U-15N]'
phosphate 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20031121
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.853
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 6.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'putative 42-9-9 protein'
_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 SER HA H 4.526 0.030 1
2 2 2 SER HB2 H 3.874 0.030 2
3 2 2 SER C C 174.649 0.300 1
4 2 2 SER CA C 58.499 0.300 1
5 2 2 SER CB C 63.789 0.300 1
6 3 3 GLU H H 8.793 0.030 1
7 3 3 GLU HA H 4.301 0.030 1
8 3 3 GLU HB2 H 2.006 0.030 2
9 3 3 GLU HG2 H 2.294 0.030 2
10 3 3 GLU C C 177.041 0.300 1
11 3 3 GLU CA C 57.144 0.300 1
12 3 3 GLU CB C 29.702 0.300 1
13 3 3 GLU CG C 36.052 0.300 1
14 3 3 GLU N N 123.122 0.300 1
15 4 4 GLY H H 8.441 0.030 1
16 4 4 GLY HA2 H 3.961 0.030 1
17 4 4 GLY HA3 H 3.961 0.030 1
18 4 4 GLY C C 173.836 0.300 1
19 4 4 GLY CA C 45.330 0.300 1
20 4 4 GLY N N 110.189 0.300 1
21 5 5 ALA H H 8.112 0.030 1
22 5 5 ALA HA H 4.344 0.030 1
23 5 5 ALA HB H 1.412 0.030 1
24 5 5 ALA C C 177.526 0.300 1
25 5 5 ALA CA C 52.361 0.300 1
26 5 5 ALA CB C 19.380 0.300 1
27 5 5 ALA N N 123.907 0.300 1
28 6 6 ALA H H 8.339 0.030 1
29 6 6 ALA HA H 4.384 0.030 1
30 6 6 ALA HB H 1.418 0.030 1
31 6 6 ALA C C 177.927 0.300 1
32 6 6 ALA CA C 52.480 0.300 1
33 6 6 ALA CB C 19.338 0.300 1
34 6 6 ALA N N 123.570 0.300 1
35 7 7 THR H H 8.117 0.030 1
36 7 7 THR HA H 4.336 0.030 1
37 7 7 THR HB H 4.220 0.030 1
38 7 7 THR HG2 H 1.220 0.030 1
39 7 7 THR C C 174.309 0.300 1
40 7 7 THR CA C 61.705 0.300 1
41 7 7 THR CB C 69.909 0.300 1
42 7 7 THR CG2 C 21.681 0.300 1
43 7 7 THR N N 113.660 0.300 1
44 8 8 MET H H 8.362 0.030 1
45 8 8 MET HA H 4.518 0.030 1
46 8 8 MET HB2 H 2.115 0.030 2
47 8 8 MET HB3 H 2.005 0.030 2
48 8 8 MET HG2 H 2.611 0.030 2
49 8 8 MET HG3 H 2.547 0.030 2
50 8 8 MET C C 175.390 0.300 1
51 8 8 MET CA C 55.261 0.300 1
52 8 8 MET CB C 33.261 0.300 1
53 8 8 MET CG C 31.933 0.300 1
54 8 8 MET N N 122.927 0.300 1
55 9 9 ALA H H 8.260 0.030 1
56 9 9 ALA HA H 4.444 0.030 1
57 9 9 ALA HB H 1.203 0.030 1
58 9 9 ALA C C 177.004 0.300 1
59 9 9 ALA CA C 52.075 0.300 1
60 9 9 ALA CB C 19.726 0.300 1
61 9 9 ALA N N 125.801 0.300 1
62 10 10 THR H H 8.477 0.030 1
63 10 10 THR HA H 4.472 0.030 1
64 10 10 THR HB H 4.123 0.030 1
65 10 10 THR HG2 H 1.113 0.030 1
66 10 10 THR C C 172.828 0.300 1
67 10 10 THR CA C 60.946 0.300 1
68 10 10 THR CB C 70.456 0.300 1
69 10 10 THR CG2 C 20.902 0.300 1
70 10 10 THR N N 113.706 0.300 1
71 11 11 PHE H H 7.540 0.030 1
72 11 11 PHE HA H 5.526 0.030 1
73 11 11 PHE HB2 H 2.906 0.030 1
74 11 11 PHE HB3 H 2.906 0.030 1
75 11 11 PHE HD1 H 6.945 0.030 1
76 11 11 PHE HD2 H 6.945 0.030 1
77 11 11 PHE HE1 H 7.228 0.030 1
78 11 11 PHE HE2 H 7.228 0.030 1
79 11 11 PHE C C 173.945 0.300 1
80 11 11 PHE CA C 55.028 0.300 1
81 11 11 PHE CB C 42.702 0.300 1
82 11 11 PHE CD1 C 132.163 0.300 1
83 11 11 PHE CD2 C 132.163 0.300 1
84 11 11 PHE CE1 C 131.480 0.300 1
85 11 11 PHE CE2 C 131.480 0.300 1
86 11 11 PHE N N 116.977 0.300 1
87 12 12 GLU H H 8.008 0.030 1
88 12 12 GLU HA H 4.544 0.030 1
89 12 12 GLU HB2 H 1.987 0.030 1
90 12 12 GLU HB3 H 1.987 0.030 1
91 12 12 GLU HG2 H 2.326 0.030 2
92 12 12 GLU HG3 H 2.034 0.030 2
93 12 12 GLU C C 174.467 0.300 1
94 12 12 GLU CA C 54.627 0.300 1
95 12 12 GLU CB C 32.143 0.300 1
96 12 12 GLU CG C 35.748 0.300 1
97 12 12 GLU N N 122.800 0.300 1
98 13 13 GLU H H 8.975 0.030 1
99 13 13 GLU HA H 5.739 0.030 1
100 13 13 GLU HB2 H 2.334 0.030 2
101 13 13 GLU HB3 H 2.139 0.030 2
102 13 13 GLU HG2 H 2.459 0.030 2
103 13 13 GLU HG3 H 2.191 0.030 2
104 13 13 GLU C C 175.693 0.300 1
105 13 13 GLU CA C 55.237 0.300 1
106 13 13 GLU CB C 31.474 0.300 1
107 13 13 GLU CG C 36.313 0.300 1
108 13 13 GLU N N 128.177 0.300 1
109 14 14 VAL H H 9.142 0.030 1
110 14 14 VAL HA H 4.316 0.030 1
111 14 14 VAL HB H 1.736 0.030 1
112 14 14 VAL HG1 H 0.840 0.030 1
113 14 14 VAL HG2 H 0.571 0.030 1
114 14 14 VAL C C 174.054 0.300 1
115 14 14 VAL CA C 60.839 0.300 1
116 14 14 VAL CB C 34.774 0.300 1
117 14 14 VAL CG1 C 21.318 0.300 2
118 14 14 VAL CG2 C 20.694 0.300 2
119 14 14 VAL N N 128.918 0.300 1
120 15 15 SER H H 8.865 0.030 1
121 15 15 SER HA H 5.535 0.030 1
122 15 15 SER HB2 H 3.975 0.030 2
123 15 15 SER HB3 H 3.851 0.030 2
124 15 15 SER C C 174.819 0.300 1
125 15 15 SER CA C 56.986 0.300 1
126 15 15 SER CB C 63.917 0.300 1
127 15 15 SER N N 123.155 0.300 1
128 16 16 VAL H H 8.968 0.030 1
129 16 16 VAL HA H 4.997 0.030 1
130 16 16 VAL HB H 2.253 0.030 1
131 16 16 VAL HG1 H 0.831 0.030 1
132 16 16 VAL HG2 H 0.936 0.030 1
133 16 16 VAL C C 174.333 0.300 1
134 16 16 VAL CA C 58.974 0.300 1
135 16 16 VAL CB C 36.251 0.300 1
136 16 16 VAL CG1 C 22.609 0.300 2
137 16 16 VAL CG2 C 19.803 0.300 2
138 16 16 VAL N N 117.810 0.300 1
139 17 17 LEU H H 9.019 0.030 1
140 17 17 LEU HA H 5.160 0.030 1
141 17 17 LEU HB2 H 1.744 0.030 2
142 17 17 LEU HB3 H 1.586 0.030 2
143 17 17 LEU HG H 1.579 0.030 1
144 17 17 LEU HD1 H 0.915 0.030 1
145 17 17 LEU HD2 H 0.918 0.030 1
146 17 17 LEU C C 176.676 0.300 1
147 17 17 LEU CA C 54.451 0.300 1
148 17 17 LEU CB C 43.625 0.300 1
149 17 17 LEU CG C 27.713 0.300 1
150 17 17 LEU CD1 C 25.599 0.300 2
151 17 17 LEU CD2 C 24.697 0.300 2
152 17 17 LEU N N 127.332 0.300 1
153 18 18 GLY H H 8.518 0.030 1
154 18 18 GLY HA2 H 4.535 0.030 2
155 18 18 GLY HA3 H 4.049 0.030 2
156 18 18 GLY C C 172.683 0.300 1
157 18 18 GLY CA C 44.933 0.300 1
158 18 18 GLY N N 110.251 0.300 1
159 19 19 PHE H H 9.150 0.030 1
160 19 19 PHE HA H 3.745 0.030 1
161 19 19 PHE HB2 H 2.926 0.030 2
162 19 19 PHE HB3 H 2.325 0.030 2
163 19 19 PHE HD1 H 6.380 0.030 1
164 19 19 PHE HD2 H 6.380 0.030 1
165 19 19 PHE HE1 H 7.124 0.030 1
166 19 19 PHE HE2 H 7.124 0.030 1
167 19 19 PHE HZ H 7.248 0.030 1
168 19 19 PHE C C 176.227 0.300 1
169 19 19 PHE CA C 62.934 0.300 1
170 19 19 PHE CB C 39.620 0.300 1
171 19 19 PHE CD1 C 131.651 0.300 1
172 19 19 PHE CD2 C 131.651 0.300 1
173 19 19 PHE CE1 C 130.702 0.300 1
174 19 19 PHE CE2 C 130.702 0.300 1
175 19 19 PHE CZ C 129.803 0.300 1
176 19 19 PHE N N 118.937 0.300 1
177 20 20 GLU H H 8.728 0.030 1
178 20 20 GLU HA H 3.910 0.030 1
179 20 20 GLU HB2 H 2.192 0.030 2
180 20 20 GLU HB3 H 2.090 0.030 2
181 20 20 GLU HG2 H 2.498 0.030 2
182 20 20 GLU HG3 H 2.429 0.030 2
183 20 20 GLU C C 180.354 0.300 1
184 20 20 GLU CA C 60.506 0.300 1
185 20 20 GLU CB C 28.829 0.300 1
186 20 20 GLU CG C 36.951 0.300 1
187 20 20 GLU N N 120.251 0.300 1
188 21 21 GLU H H 8.819 0.030 1
189 21 21 GLU HA H 3.965 0.030 1
190 21 21 GLU HB2 H 2.121 0.030 2
191 21 21 GLU HB3 H 1.943 0.030 2
192 21 21 GLU HG2 H 2.697 0.030 2
193 21 21 GLU HG3 H 2.332 0.030 2
194 21 21 GLU C C 179.662 0.300 1
195 21 21 GLU CA C 59.555 0.300 1
196 21 21 GLU CB C 30.241 0.300 1
197 21 21 GLU CG C 37.452 0.300 1
198 21 21 GLU N N 118.312 0.300 1
199 22 22 PHE H H 7.803 0.030 1
200 22 22 PHE HA H 3.842 0.030 1
201 22 22 PHE HB2 H 3.403 0.030 2
202 22 22 PHE HB3 H 3.227 0.030 2
203 22 22 PHE HD1 H 6.865 0.030 1
204 22 22 PHE HD2 H 6.865 0.030 1
205 22 22 PHE HE1 H 7.113 0.030 1
206 22 22 PHE HE2 H 7.113 0.030 1
207 22 22 PHE HZ H 6.982 0.030 1
208 22 22 PHE C C 174.843 0.300 1
209 22 22 PHE CA C 63.462 0.300 1
210 22 22 PHE CB C 38.993 0.300 1
211 22 22 PHE CD1 C 131.557 0.300 1
212 22 22 PHE CD2 C 131.557 0.300 1
213 22 22 PHE CE1 C 131.525 0.300 1
214 22 22 PHE CE2 C 131.525 0.300 1
215 22 22 PHE CZ C 129.212 0.300 1
216 22 22 PHE N N 121.156 0.300 1
217 23 23 ASP H H 8.601 0.030 1
218 23 23 ASP HA H 3.899 0.030 1
219 23 23 ASP HB2 H 2.388 0.030 2
220 23 23 ASP HB3 H 2.038 0.030 2
221 23 23 ASP C C 178.085 0.300 1
222 23 23 ASP CA C 57.162 0.300 1
223 23 23 ASP CB C 42.093 0.300 1
224 23 23 ASP N N 119.346 0.300 1
225 24 24 LYS H H 7.566 0.030 1
226 24 24 LYS HA H 3.851 0.030 1
227 24 24 LYS HB2 H 1.828 0.030 1
228 24 24 LYS HB3 H 1.828 0.030 1
229 24 24 LYS HG2 H 1.532 0.030 2
230 24 24 LYS HG3 H 1.336 0.030 2
231 24 24 LYS HD2 H 1.680 0.030 1
232 24 24 LYS HD3 H 1.680 0.030 1
233 24 24 LYS HE2 H 2.972 0.030 2
234 24 24 LYS C C 178.291 0.300 1
235 24 24 LYS CA C 59.431 0.300 1
236 24 24 LYS CB C 32.812 0.300 1
237 24 24 LYS CG C 25.065 0.300 1
238 24 24 LYS CD C 29.544 0.300 1
239 24 24 LYS CE C 42.148 0.300 1
240 24 24 LYS N N 116.527 0.300 1
241 25 25 ALA H H 7.721 0.030 1
242 25 25 ALA HA H 4.258 0.030 1
243 25 25 ALA HB H 1.295 0.030 1
244 25 25 ALA C C 181.119 0.300 1
245 25 25 ALA CA C 54.909 0.300 1
246 25 25 ALA CB C 18.682 0.300 1
247 25 25 ALA N N 120.895 0.300 1
248 26 26 VAL H H 8.048 0.030 1
249 26 26 VAL HA H 3.191 0.030 1
250 26 26 VAL HB H 1.626 0.030 1
251 26 26 VAL HG1 H 0.249 0.030 1
252 26 26 VAL HG2 H 0.087 0.030 1
253 26 26 VAL C C 178.376 0.300 1
254 26 26 VAL CA C 66.620 0.300 1
255 26 26 VAL CB C 30.906 0.300 1
256 26 26 VAL CG1 C 21.303 0.300 2
257 26 26 VAL CG2 C 22.070 0.300 2
258 26 26 VAL N N 118.657 0.300 1
259 27 27 LYS H H 7.470 0.030 1
260 27 27 LYS HA H 3.981 0.030 1
261 27 27 LYS HB2 H 1.850 0.030 1
262 27 27 LYS HB3 H 1.850 0.030 1
263 27 27 LYS HG2 H 1.522 0.030 2
264 27 27 LYS HG3 H 1.450 0.030 2
265 27 27 LYS HE2 H 2.946 0.030 2
266 27 27 LYS C C 179.650 0.300 1
267 27 27 LYS CA C 59.155 0.300 1
268 27 27 LYS CB C 32.132 0.300 1
269 27 27 LYS CG C 26.000 0.300 1
270 27 27 LYS CD C 28.720 0.300 1
271 27 27 LYS CE C 42.230 0.300 1
272 27 27 LYS N N 119.293 0.300 1
273 28 28 GLU H H 7.877 0.030 1
274 28 28 GLU HA H 4.028 0.030 1
275 28 28 GLU HB2 H 1.880 0.030 2
276 28 28 GLU HB3 H 1.730 0.030 2
277 28 28 GLU HG2 H 2.307 0.030 2
278 28 28 GLU HG3 H 1.983 0.030 2
279 28 28 GLU C C 176.992 0.300 1
280 28 28 GLU CA C 57.698 0.300 1
281 28 28 GLU CB C 29.803 0.300 1
282 28 28 GLU CG C 36.364 0.300 1
283 28 28 GLU N N 116.683 0.300 1
284 29 29 HIS H H 7.529 0.030 1
285 29 29 HIS HA H 4.818 0.030 1
286 29 29 HIS HB2 H 3.434 0.030 2
287 29 29 HIS HB3 H 2.624 0.030 2
288 29 29 HIS HD2 H 7.404 0.030 1
289 29 29 HIS HE1 H 8.637 0.030 1
290 29 29 HIS C C 173.933 0.300 1
291 29 29 HIS CA C 55.754 0.300 1
292 29 29 HIS CB C 29.312 0.300 1
293 29 29 HIS CD2 C 121.148 0.300 1
294 29 29 HIS CE1 C 136.973 0.300 1
295 29 29 HIS N N 115.644 0.300 1
296 30 30 GLU H H 7.125 0.030 1
297 30 30 GLU HA H 4.198 0.030 1
298 30 30 GLU HB2 H 2.225 0.030 2
299 30 30 GLU HB3 H 2.130 0.030 2
300 30 30 GLU HG2 H 2.418 0.030 2
301 30 30 GLU HG3 H 2.313 0.030 2
302 30 30 GLU C C 176.737 0.300 1
303 30 30 GLU CA C 58.871 0.300 1
304 30 30 GLU CB C 29.752 0.300 1
305 30 30 GLU CG C 35.609 0.300 1
306 30 30 GLU N N 117.759 0.300 1
307 31 31 SER H H 8.338 0.030 1
308 31 31 SER HA H 4.395 0.030 1
309 31 31 SER HB2 H 4.109 0.030 2
310 31 31 SER HB3 H 3.967 0.030 2
311 31 31 SER C C 173.970 0.300 1
312 31 31 SER CA C 59.801 0.300 1
313 31 31 SER CB C 63.167 0.300 1
314 31 31 SER N N 114.566 0.300 1
315 32 32 LYS H H 7.972 0.030 1
316 32 32 LYS HA H 4.691 0.030 1
317 32 32 LYS HB2 H 1.903 0.030 2
318 32 32 LYS HB3 H 1.831 0.030 2
319 32 32 LYS HG2 H 1.490 0.030 2
320 32 32 LYS HG3 H 1.425 0.030 2
321 32 32 LYS HD2 H 1.626 0.030 2
322 32 32 LYS HE2 H 2.934 0.030 2
323 32 32 LYS C C 175.669 0.300 1
324 32 32 LYS CA C 54.504 0.300 1
325 32 32 LYS CB C 35.255 0.300 1
326 32 32 LYS CG C 25.349 0.300 1
327 32 32 LYS CD C 29.297 0.300 1
328 32 32 LYS CE C 42.230 0.300 1
329 32 32 LYS N N 121.730 0.300 1
330 33 33 THR H H 8.624 0.030 1
331 33 33 THR HA H 4.011 0.030 1
332 33 33 THR HB H 4.113 0.030 1
333 33 33 THR HG2 H 0.926 0.030 1
334 33 33 THR C C 173.095 0.300 1
335 33 33 THR CA C 64.218 0.300 1
336 33 33 THR CB C 69.066 0.300 1
337 33 33 THR CG2 C 22.662 0.300 1
338 33 33 THR N N 118.750 0.300 1
339 34 34 ILE H H 8.749 0.030 1
340 34 34 ILE HA H 4.840 0.030 1
341 34 34 ILE HB H 1.677 0.030 1
342 34 34 ILE HG12 H 1.866 0.030 2
343 34 34 ILE HG13 H 0.515 0.030 2
344 34 34 ILE HG2 H 0.623 0.030 1
345 34 34 ILE HD1 H 0.717 0.030 1
346 34 34 ILE C C 175.183 0.300 1
347 34 34 ILE CA C 60.101 0.300 1
348 34 34 ILE CB C 42.057 0.300 1
349 34 34 ILE CG1 C 27.206 0.300 1
350 34 34 ILE CG2 C 17.276 0.300 1
351 34 34 ILE CD1 C 15.083 0.300 1
352 34 34 ILE N N 128.371 0.300 1
353 35 35 PHE H H 9.256 0.030 1
354 35 35 PHE HA H 5.521 0.030 1
355 35 35 PHE HB2 H 3.180 0.030 2
356 35 35 PHE HB3 H 3.083 0.030 2
357 35 35 PHE HD1 H 7.048 0.030 1
358 35 35 PHE HD2 H 7.048 0.030 1
359 35 35 PHE HE1 H 7.480 0.030 1
360 35 35 PHE HE2 H 7.480 0.030 1
361 35 35 PHE HZ H 7.636 0.030 1
362 35 35 PHE C C 173.884 0.300 1
363 35 35 PHE CA C 56.757 0.300 1
364 35 35 PHE CB C 42.559 0.300 1
365 35 35 PHE CD1 C 131.433 0.300 1
366 35 35 PHE CD2 C 131.433 0.300 1
367 35 35 PHE CE1 C 132.492 0.300 1
368 35 35 PHE CE2 C 132.492 0.300 1
369 35 35 PHE CZ C 130.279 0.300 1
370 35 35 PHE N N 125.859 0.300 1
371 36 36 ALA H H 9.689 0.030 1
372 36 36 ALA HA H 5.236 0.030 1
373 36 36 ALA HB H 1.281 0.030 1
374 36 36 ALA C C 173.399 0.300 1
375 36 36 ALA CA C 49.859 0.300 1
376 36 36 ALA CB C 22.703 0.300 1
377 36 36 ALA N N 125.285 0.300 1
378 37 37 TYR H H 8.725 0.030 1
379 37 37 TYR HA H 5.546 0.030 1
380 37 37 TYR HB2 H 2.960 0.030 2
381 37 37 TYR HB3 H 2.533 0.030 2
382 37 37 TYR HD1 H 6.693 0.030 1
383 37 37 TYR HD2 H 6.693 0.030 1
384 37 37 TYR HE1 H 6.555 0.030 1
385 37 37 TYR HE2 H 6.555 0.030 1
386 37 37 TYR C C 171.918 0.300 1
387 37 37 TYR CA C 54.170 0.300 1
388 37 37 TYR CB C 42.550 0.300 1
389 37 37 TYR CD1 C 132.225 0.300 1
390 37 37 TYR CD2 C 132.225 0.300 1
391 37 37 TYR CE1 C 117.489 0.300 1
392 37 37 TYR CE2 C 117.489 0.300 1
393 37 37 TYR N N 124.611 0.300 1
394 38 38 PHE H H 8.676 0.030 1
395 38 38 PHE HA H 4.501 0.030 1
396 38 38 PHE HB2 H 2.492 0.030 2
397 38 38 PHE HB3 H 2.134 0.030 2
398 38 38 PHE HD1 H 6.708 0.030 1
399 38 38 PHE HD2 H 6.708 0.030 1
400 38 38 PHE HE1 H 6.682 0.030 1
401 38 38 PHE HE2 H 6.682 0.030 1
402 38 38 PHE HZ H 6.762 0.030 1
403 38 38 PHE C C 172.768 0.300 1
404 38 38 PHE CA C 56.447 0.300 1
405 38 38 PHE CB C 39.606 0.300 1
406 38 38 PHE CD1 C 131.463 0.300 1
407 38 38 PHE CD2 C 131.463 0.300 1
408 38 38 PHE CE1 C 130.494 0.300 1
409 38 38 PHE CE2 C 130.494 0.300 1
410 38 38 PHE CZ C 129.837 0.300 1
411 38 38 PHE N N 125.632 0.300 1
412 39 39 SER H H 8.214 0.030 1
413 39 39 SER HA H 4.513 0.030 1
414 39 39 SER HB2 H 3.073 0.030 2
415 39 39 SER HB3 H 2.964 0.030 2
416 39 39 SER C C 175.268 0.300 1
417 39 39 SER CA C 54.346 0.300 1
418 39 39 SER CB C 66.113 0.300 1
419 39 39 SER N N 112.718 0.300 1
420 40 40 GLY H H 7.024 0.030 1
421 40 40 GLY HA2 H 3.876 0.030 2
422 40 40 GLY HA3 H 2.137 0.030 2
423 40 40 GLY C C 174.673 0.300 1
424 40 40 GLY CA C 46.357 0.300 1
425 40 40 GLY N N 110.336 0.300 1
426 41 41 SER H H 8.300 0.030 1
427 41 41 SER HA H 4.668 0.030 1
428 41 41 SER HB2 H 4.006 0.030 2
429 41 41 SER HB3 H 3.795 0.030 2
430 41 41 SER C C 173.374 0.300 1
431 41 41 SER CA C 60.559 0.300 1
432 41 41 SER CB C 63.972 0.300 1
433 41 41 SER N N 122.298 0.300 1
434 42 42 LYS H H 8.381 0.030 1
435 42 42 LYS HA H 4.191 0.030 1
436 42 42 LYS HB2 H 1.724 0.030 2
437 42 42 LYS HB3 H 1.559 0.030 2
438 42 42 LYS HG2 H 1.445 0.030 2
439 42 42 LYS HG3 H 1.133 0.030 2
440 42 42 LYS HD2 H 1.589 0.030 2
441 42 42 LYS HE2 H 2.984 0.030 2
442 42 42 LYS HE3 H 2.926 0.030 2
443 42 42 LYS C C 176.822 0.300 1
444 42 42 LYS CA C 56.141 0.300 1
445 42 42 LYS CB C 34.519 0.300 1
446 42 42 LYS CG C 26.003 0.300 1
447 42 42 LYS CD C 29.707 0.300 1
448 42 42 LYS CE C 42.313 0.300 1
449 42 42 LYS N N 121.722 0.300 1
450 43 43 ASP H H 8.276 0.030 1
451 43 43 ASP HA H 4.727 0.030 1
452 43 43 ASP HB2 H 3.464 0.030 2
453 43 43 ASP HB3 H 2.915 0.030 2
454 43 43 ASP C C 178.509 0.300 1
455 43 43 ASP CA C 52.621 0.300 1
456 43 43 ASP CB C 41.487 0.300 1
457 43 43 ASP N N 122.710 0.300 1
458 44 44 THR H H 8.018 0.030 1
459 44 44 THR HA H 4.117 0.030 1
460 44 44 THR HB H 4.386 0.030 1
461 44 44 THR HG2 H 1.365 0.030 1
462 44 44 THR C C 175.863 0.300 1
463 44 44 THR CA C 64.659 0.300 1
464 44 44 THR CB C 68.847 0.300 1
465 44 44 THR CG2 C 22.063 0.300 1
466 44 44 THR N N 110.194 0.300 1
467 45 45 GLU H H 8.230 0.030 1
468 45 45 GLU HA H 4.427 0.030 1
469 45 45 GLU HB2 H 2.285 0.030 2
470 45 45 GLU HB3 H 2.097 0.030 2
471 45 45 GLU HG2 H 2.284 0.030 2
472 45 45 GLU HG3 H 2.242 0.030 2
473 45 45 GLU C C 176.895 0.300 1
474 45 45 GLU CA C 56.050 0.300 1
475 45 45 GLU CB C 29.837 0.300 1
476 45 45 GLU CG C 36.876 0.300 1
477 45 45 GLU N N 120.386 0.300 1
478 46 46 GLY H H 8.128 0.030 1
479 46 46 GLY HA2 H 4.240 0.030 2
480 46 46 GLY HA3 H 3.686 0.030 2
481 46 46 GLY C C 173.617 0.300 1
482 46 46 GLY CA C 45.725 0.300 1
483 46 46 GLY N N 107.495 0.300 1
484 47 47 LYS H H 8.251 0.030 1
485 47 47 LYS HA H 4.589 0.030 1
486 47 47 LYS HB2 H 1.828 0.030 2
487 47 47 LYS HB3 H 1.785 0.030 2
488 47 47 LYS HG2 H 1.393 0.030 1
489 47 47 LYS HG3 H 1.393 0.030 1
490 47 47 LYS HD2 H 1.678 0.030 2
491 47 47 LYS HE2 H 2.996 0.030 2
492 47 47 LYS C C 176.227 0.300 1
493 47 47 LYS CA C 54.768 0.300 1
494 47 47 LYS CB C 34.130 0.300 1
495 47 47 LYS CG C 24.550 0.300 1
496 47 47 LYS CD C 29.132 0.300 1
497 47 47 LYS CE C 42.313 0.300 1
498 47 47 LYS N N 121.295 0.300 1
499 48 48 SER H H 8.605 0.030 1
500 48 48 SER HA H 4.084 0.030 1
501 48 48 SER HB2 H 3.754 0.030 2
502 48 48 SER HB3 H 3.405 0.030 2
503 48 48 SER C C 174.746 0.300 1
504 48 48 SER CA C 58.675 0.300 1
505 48 48 SER CB C 63.660 0.300 1
506 48 48 SER N N 117.993 0.300 1
507 49 49 TRP H H 7.202 0.030 1
508 49 49 TRP HA H 4.568 0.030 1
509 49 49 TRP HB2 H 3.704 0.030 2
510 49 49 TRP HB3 H 3.438 0.030 2
511 49 49 TRP HD1 H 7.770 0.030 1
512 49 49 TRP HE1 H 10.710 0.030 1
513 49 49 TRP HE3 H 7.603 0.030 1
514 49 49 TRP HZ2 H 7.055 0.030 1
515 49 49 TRP HH2 H 7.219 0.030 1
516 49 49 TRP C C 175.669 0.300 1
517 49 49 TRP CA C 57.549 0.300 1
518 49 49 TRP CB C 29.126 0.300 1
519 49 49 TRP CD1 C 130.351 0.300 1
520 49 49 TRP CE3 C 122.079 0.300 1
521 49 49 TRP CZ2 C 113.684 0.300 1
522 49 49 TRP CZ3 C 122.127 0.300 1
523 49 49 TRP CH2 C 125.407 0.300 1
524 49 49 TRP N N 122.205 0.300 1
525 49 49 TRP NE1 N 128.690 0.300 1
526 50 50 CYS H H 7.016 0.030 1
527 50 50 CYS HA H 4.769 0.030 1
528 50 50 CYS HB2 H 1.865 0.030 2
529 50 50 CYS HB3 H 1.093 0.030 2
530 50 50 CYS C C 173.994 0.300 1
531 50 50 CYS CA C 54.979 0.300 1
532 50 50 CYS CB C 26.920 0.300 1
533 50 50 CYS N N 122.748 0.300 1
534 51 51 PRO HA H 4.276 0.030 1
535 51 51 PRO HB2 H 2.449 0.030 2
536 51 51 PRO HB3 H 2.107 0.030 2
537 51 51 PRO HG2 H 2.230 0.030 2
538 51 51 PRO HG3 H 2.134 0.030 2
539 51 51 PRO HD2 H 4.407 0.030 2
540 51 51 PRO HD3 H 4.151 0.030 2
541 51 51 PRO C C 178.898 0.300 1
542 51 51 PRO CA C 65.820 0.300 1
543 51 51 PRO CB C 32.220 0.300 1
544 51 51 PRO CG C 27.542 0.300 1
545 51 51 PRO CD C 51.627 0.300 1
546 52 52 ASP H H 8.397 0.030 1
547 52 52 ASP HA H 4.444 0.030 1
548 52 52 ASP HB2 H 2.514 0.030 2
549 52 52 ASP HB3 H 2.370 0.030 2
550 52 52 ASP C C 178.946 0.300 1
551 52 52 ASP CA C 57.425 0.300 1
552 52 52 ASP CB C 40.491 0.300 1
553 52 52 ASP N N 118.481 0.300 1
554 53 53 CYS H H 7.852 0.030 1
555 53 53 CYS HA H 4.159 0.030 1
556 53 53 CYS HB2 H 3.223 0.030 2
557 53 53 CYS HB3 H 3.173 0.030 2
558 53 53 CYS C C 176.470 0.300 1
559 53 53 CYS CA C 63.128 0.300 1
560 53 53 CYS CB C 27.621 0.300 1
561 53 53 CYS N N 118.084 0.300 1
562 54 54 VAL H H 7.373 0.030 1
563 54 54 VAL HA H 3.775 0.030 1
564 54 54 VAL HB H 2.348 0.030 1
565 54 54 VAL HG1 H 0.992 0.030 1
566 54 54 VAL HG2 H 1.079 0.030 1
567 54 54 VAL C C 178.752 0.300 1
568 54 54 VAL CA C 66.019 0.300 1
569 54 54 VAL CB C 31.602 0.300 1
570 54 54 VAL CG1 C 21.303 0.300 2
571 54 54 VAL CG2 C 23.374 0.300 2
572 54 54 VAL N N 121.513 0.300 1
573 55 55 GLU H H 7.486 0.030 1
574 55 55 GLU HA H 4.062 0.030 1
575 55 55 GLU HB2 H 2.134 0.030 2
576 55 55 GLU HB3 H 2.043 0.030 2
577 55 55 GLU HG2 H 2.411 0.030 2
578 55 55 GLU HG3 H 2.311 0.030 2
579 55 55 GLU C C 177.878 0.300 1
580 55 55 GLU CA C 58.394 0.300 1
581 55 55 GLU CB C 30.039 0.300 1
582 55 55 GLU CG C 36.292 0.300 1
583 55 55 GLU N N 117.432 0.300 1
584 56 56 ALA H H 7.826 0.030 1
585 56 56 ALA HA H 4.074 0.030 1
586 56 56 ALA HB H 1.409 0.030 1
587 56 56 ALA C C 179.359 0.300 1
588 56 56 ALA CA C 54.468 0.300 1
589 56 56 ALA CB C 19.651 0.300 1
590 56 56 ALA N N 118.405 0.300 1
591 57 57 GLU H H 7.587 0.030 1
592 57 57 GLU HA H 3.734 0.030 1
593 57 57 GLU HB2 H 2.371 0.030 2
594 57 57 GLU HB3 H 2.243 0.030 2
595 57 57 GLU C C 174.164 0.300 1
596 57 57 GLU CA C 62.717 0.300 1
597 57 57 GLU CB C 26.344 0.300 1
598 57 57 GLU N N 117.324 0.300 1
599 58 58 PRO HA H 4.307 0.030 1
600 58 58 PRO HB2 H 2.308 0.030 2
601 58 58 PRO HB3 H 1.882 0.030 2
602 58 58 PRO HG2 H 2.101 0.030 2
603 58 58 PRO HG3 H 2.039 0.030 2
604 58 58 PRO HD2 H 3.961 0.030 2
605 58 58 PRO HD3 H 3.640 0.030 2
606 58 58 PRO C C 179.626 0.300 1
607 58 58 PRO CA C 65.820 0.300 1
608 58 58 PRO CB C 31.058 0.300 1
609 58 58 PRO CG C 28.369 0.300 1
610 58 58 PRO CD C 49.974 0.300 1
611 59 59 VAL H H 7.004 0.030 1
612 59 59 VAL HA H 3.605 0.030 1
613 59 59 VAL HB H 2.580 0.030 1
614 59 59 VAL HG1 H 0.699 0.030 1
615 59 59 VAL HG2 H 1.058 0.030 1
616 59 59 VAL C C 179.505 0.300 1
617 59 59 VAL CA C 65.791 0.300 1
618 59 59 VAL CB C 31.289 0.300 1
619 59 59 VAL CG1 C 21.465 0.300 2
620 59 59 VAL CG2 C 21.652 0.300 2
621 59 59 VAL N N 120.113 0.300 1
622 60 60 ILE H H 8.260 0.030 1
623 60 60 ILE HA H 3.550 0.030 1
624 60 60 ILE HB H 1.721 0.030 1
625 60 60 ILE HG12 H 1.415 0.030 2
626 60 60 ILE HG13 H 1.104 0.030 2
627 60 60 ILE HG2 H 0.505 0.030 1
628 60 60 ILE HD1 H 0.445 0.030 1
629 60 60 ILE C C 177.344 0.300 1
630 60 60 ILE CA C 64.249 0.300 1
631 60 60 ILE CB C 37.050 0.300 1
632 60 60 ILE CG1 C 28.127 0.300 1
633 60 60 ILE CG2 C 17.094 0.300 1
634 60 60 ILE CD1 C 13.620 0.300 1
635 60 60 ILE N N 122.421 0.300 1
636 61 61 ARG H H 8.309 0.030 1
637 61 61 ARG HA H 3.590 0.030 1
638 61 61 ARG HB2 H 1.753 0.030 2
639 61 61 ARG HB3 H 1.647 0.030 2
640 61 61 ARG HG2 H 1.755 0.030 2
641 61 61 ARG HG3 H 1.391 0.030 2
642 61 61 ARG HD2 H 3.101 0.030 2
643 61 61 ARG HE H 8.050 0.030 1
644 61 61 ARG C C 178.958 0.300 1
645 61 61 ARG CA C 59.837 0.300 1
646 61 61 ARG CB C 28.687 0.300 1
647 61 61 ARG CG C 28.659 0.300 1
648 61 61 ARG CD C 42.372 0.300 1
649 61 61 ARG N N 116.328 0.300 1
650 61 61 ARG NE N 83.407 0.300 1
651 62 62 GLU H H 7.624 0.030 1
652 62 62 GLU HA H 3.999 0.030 1
653 62 62 GLU HB2 H 2.091 0.030 2
654 62 62 GLU HB3 H 2.056 0.030 2
655 62 62 GLU HG2 H 2.404 0.030 2
656 62 62 GLU HG3 H 2.292 0.030 2
657 62 62 GLU C C 178.995 0.300 1
658 62 62 GLU CA C 58.745 0.300 1
659 62 62 GLU CB C 28.637 0.300 1
660 62 62 GLU CG C 35.577 0.300 1
661 62 62 GLU N N 119.716 0.300 1
662 63 63 GLY H H 7.861 0.030 1
663 63 63 GLY HA2 H 3.713 0.030 2
664 63 63 GLY HA3 H 3.414 0.030 2
665 63 63 GLY C C 175.365 0.300 1
666 63 63 GLY CA C 47.537 0.300 1
667 63 63 GLY N N 107.839 0.300 1
668 64 64 LEU H H 7.305 0.030 1
669 64 64 LEU HA H 2.575 0.030 1
670 64 64 LEU HB2 H 0.981 0.030 2
671 64 64 LEU HB3 H 0.573 0.030 2
672 64 64 LEU HG H 0.458 0.030 1
673 64 64 LEU HD1 H -0.602 0.030 1
674 64 64 LEU HD2 H -0.747 0.030 1
675 64 64 LEU C C 177.623 0.300 1
676 64 64 LEU CA C 56.422 0.300 1
677 64 64 LEU CB C 41.456 0.300 1
678 64 64 LEU CG C 25.442 0.300 1
679 64 64 LEU CD1 C 23.614 0.300 2
680 64 64 LEU CD2 C 22.155 0.300 2
681 64 64 LEU N N 121.508 0.300 1
682 65 65 LYS H H 6.958 0.030 1
683 65 65 LYS HA H 3.973 0.030 1
684 65 65 LYS HB2 H 1.663 0.030 2
685 65 65 LYS HB3 H 1.557 0.030 2
686 65 65 LYS HG2 H 1.456 0.030 2
687 65 65 LYS HG3 H 1.298 0.030 2
688 65 65 LYS HE2 H 2.858 0.030 2
689 65 65 LYS C C 177.259 0.300 1
690 65 65 LYS CA C 58.147 0.300 1
691 65 65 LYS CB C 31.968 0.300 1
692 65 65 LYS CG C 25.591 0.300 1
693 65 65 LYS CD C 29.379 0.300 1
694 65 65 LYS CE C 42.230 0.300 1
695 65 65 LYS N N 115.074 0.300 1
696 66 66 HIS H H 7.776 0.030 1
697 66 66 HIS HA H 4.603 0.030 1
698 66 66 HIS HB2 H 3.496 0.030 2
699 66 66 HIS HB3 H 3.130 0.030 2
700 66 66 HIS HD2 H 7.413 0.030 1
701 66 66 HIS HE1 H 8.464 0.030 1
702 66 66 HIS C C 174.333 0.300 1
703 66 66 HIS CA C 54.610 0.300 1
704 66 66 HIS CB C 28.747 0.300 1
705 66 66 HIS CD2 C 120.446 0.300 1
706 66 66 HIS CE1 C 136.518 0.300 1
707 66 66 HIS N N 114.334 0.300 1
708 67 67 VAL H H 6.875 0.030 1
709 67 67 VAL HA H 4.259 0.030 1
710 67 67 VAL HB H 2.199 0.030 1
711 67 67 VAL HG1 H 0.798 0.030 1
712 67 67 VAL HG2 H 0.888 0.030 1
713 67 67 VAL C C 176.579 0.300 1
714 67 67 VAL CA C 62.789 0.300 1
715 67 67 VAL CB C 32.451 0.300 1
716 67 67 VAL CG1 C 20.183 0.300 2
717 67 67 VAL CG2 C 22.366 0.300 2
718 67 67 VAL N N 116.665 0.300 1
719 68 68 THR H H 8.677 0.030 1
720 68 68 THR HA H 4.488 0.030 1
721 68 68 THR HB H 4.533 0.030 1
722 68 68 THR HG2 H 1.344 0.030 1
723 68 68 THR C C 174.309 0.300 1
724 68 68 THR CA C 61.843 0.300 1
725 68 68 THR CB C 69.954 0.300 1
726 68 68 THR CG2 C 22.095 0.300 1
727 68 68 THR N N 113.786 0.300 1
728 69 69 GLU H H 7.703 0.030 1
729 69 69 GLU HA H 4.584 0.030 1
730 69 69 GLU HB2 H 2.137 0.030 2
731 69 69 GLU HB3 H 2.086 0.030 2
732 69 69 GLU HG2 H 2.397 0.030 2
733 69 69 GLU HG3 H 2.359 0.030 2
734 69 69 GLU C C 174.831 0.300 1
735 69 69 GLU CA C 55.032 0.300 1
736 69 69 GLU CB C 32.133 0.300 1
737 69 69 GLU CG C 35.383 0.300 1
738 69 69 GLU N N 120.412 0.300 1
739 70 70 ASP H H 8.622 0.030 1
740 70 70 ASP HA H 5.141 0.030 1
741 70 70 ASP HB2 H 2.846 0.030 2
742 70 70 ASP HB3 H 2.692 0.030 2
743 70 70 ASP C C 176.700 0.300 1
744 70 70 ASP CA C 55.006 0.300 1
745 70 70 ASP CB C 40.580 0.300 1
746 70 70 ASP N N 121.715 0.300 1
747 71 71 CYS H H 8.270 0.030 1
748 71 71 CYS HA H 5.416 0.030 1
749 71 71 CYS HB2 H 3.250 0.030 2
750 71 71 CYS HB3 H 3.030 0.030 2
751 71 71 CYS C C 173.120 0.300 1
752 71 71 CYS CA C 56.613 0.300 1
753 71 71 CYS CB C 31.330 0.300 1
754 71 71 CYS N N 116.198 0.300 1
755 72 72 VAL H H 9.096 0.030 1
756 72 72 VAL HA H 4.827 0.030 1
757 72 72 VAL HB H 1.882 0.030 1
758 72 72 VAL HG1 H 0.476 0.030 1
759 72 72 VAL HG2 H 0.839 0.030 1
760 72 72 VAL C C 173.107 0.300 1
761 72 72 VAL CA C 60.928 0.300 1
762 72 72 VAL CB C 34.652 0.300 1
763 72 72 VAL CG1 C 20.628 0.300 2
764 72 72 VAL CG2 C 22.405 0.300 2
765 72 72 VAL N N 121.770 0.300 1
766 73 73 PHE H H 9.381 0.030 1
767 73 73 PHE HA H 5.842 0.030 1
768 73 73 PHE HB2 H 2.989 0.030 2
769 73 73 PHE HB3 H 2.760 0.030 2
770 73 73 PHE HD1 H 7.146 0.030 1
771 73 73 PHE HD2 H 7.146 0.030 1
772 73 73 PHE HE1 H 7.086 0.030 1
773 73 73 PHE HE2 H 7.086 0.030 1
774 73 73 PHE HZ H 6.797 0.030 1
775 73 73 PHE C C 173.544 0.300 1
776 73 73 PHE CA C 54.590 0.300 1
777 73 73 PHE CB C 42.471 0.300 1
778 73 73 PHE CD1 C 132.138 0.300 1
779 73 73 PHE CD2 C 132.138 0.300 1
780 73 73 PHE CE1 C 130.497 0.300 1
781 73 73 PHE CE2 C 130.497 0.300 1
782 73 73 PHE CZ C 128.434 0.300 1
783 73 73 PHE N N 128.531 0.300 1
784 74 74 ILE H H 9.089 0.030 1
785 74 74 ILE HA H 4.611 0.030 1
786 74 74 ILE HB H 1.513 0.030 1
787 74 74 ILE HG12 H 1.466 0.030 2
788 74 74 ILE HG13 H 0.493 0.030 2
789 74 74 ILE HG2 H 0.705 0.030 1
790 74 74 ILE HD1 H 0.351 0.030 1
791 74 74 ILE C C 172.403 0.300 1
792 74 74 ILE CA C 59.959 0.300 1
793 74 74 ILE CB C 39.202 0.300 1
794 74 74 ILE CG1 C 27.638 0.300 1
795 74 74 ILE CG2 C 18.191 0.300 1
796 74 74 ILE CD1 C 14.269 0.300 1
797 74 74 ILE N N 126.342 0.300 1
798 75 75 TYR H H 8.882 0.030 1
799 75 75 TYR HA H 4.183 0.030 1
800 75 75 TYR HB2 H 3.373 0.030 2
801 75 75 TYR HB3 H 2.537 0.030 2
802 75 75 TYR HD1 H 7.153 0.030 1
803 75 75 TYR HD2 H 7.153 0.030 1
804 75 75 TYR HE1 H 6.732 0.030 1
805 75 75 TYR HE2 H 6.732 0.030 1
806 75 75 TYR C C 173.423 0.300 1
807 75 75 TYR CA C 56.721 0.300 1
808 75 75 TYR CB C 38.603 0.300 1
809 75 75 TYR CD1 C 132.806 0.300 1
810 75 75 TYR CD2 C 132.806 0.300 1
811 75 75 TYR CE1 C 117.918 0.300 1
812 75 75 TYR CE2 C 117.918 0.300 1
813 75 75 TYR N N 130.868 0.300 1
814 76 76 CYS H H 9.011 0.030 1
815 76 76 CYS HA H 5.116 0.030 1
816 76 76 CYS HB2 H 2.460 0.030 2
817 76 76 CYS HB3 H 1.972 0.030 2
818 76 76 CYS C C 173.909 0.300 1
819 76 76 CYS CA C 56.389 0.300 1
820 76 76 CYS CB C 28.612 0.300 1
821 76 76 CYS N N 128.722 0.300 1
822 77 77 GLN H H 8.343 0.030 1
823 77 77 GLN HA H 4.664 0.030 1
824 77 77 GLN HB2 H 2.400 0.030 2
825 77 77 GLN HB3 H 2.133 0.030 2
826 77 77 GLN HG2 H 2.600 0.030 2
827 77 77 GLN HG3 H 2.033 0.030 2
828 77 77 GLN HE21 H 8.047 0.030 2
829 77 77 GLN HE22 H 7.145 0.030 2
830 77 77 GLN C C 176.725 0.300 1
831 77 77 GLN CA C 55.102 0.300 1
832 77 77 GLN CB C 30.823 0.300 1
833 77 77 GLN CG C 35.561 0.300 1
834 77 77 GLN N N 129.163 0.300 1
835 77 77 GLN NE2 N 113.668 0.300 1
836 78 78 VAL H H 8.507 0.030 1
837 78 78 VAL HA H 3.846 0.030 1
838 78 78 VAL HB H 1.983 0.030 1
839 78 78 VAL HG1 H 0.022 0.030 1
840 78 78 VAL HG2 H 0.631 0.030 1
841 78 78 VAL C C 174.357 0.300 1
842 78 78 VAL CA C 62.705 0.300 1
843 78 78 VAL CB C 32.129 0.300 1
844 78 78 VAL CG1 C 21.195 0.300 2
845 78 78 VAL CG2 C 18.138 0.300 2
846 78 78 VAL N N 116.844 0.300 1
847 79 79 GLY H H 7.093 0.030 1
848 79 79 GLY HA2 H 3.847 0.030 2
849 79 79 GLY HA3 H 4.724 0.030 2
850 79 79 GLY C C 173.994 0.300 1
851 79 79 GLY CA C 43.789 0.300 1
852 79 79 GLY N N 103.469 0.300 1
853 80 80 ASP H H 8.639 0.030 1
854 80 80 ASP HA H 4.689 0.030 1
855 80 80 ASP HB2 H 3.085 0.030 2
856 80 80 ASP HB3 H 2.890 0.030 2
857 80 80 ASP C C 173.787 0.300 1
858 80 80 ASP CA C 53.519 0.300 1
859 80 80 ASP CB C 41.078 0.300 1
860 80 80 ASP N N 121.425 0.300 1
861 81 81 LYS H H 7.861 0.030 1
862 81 81 LYS HA H 2.956 0.030 1
863 81 81 LYS HB2 H 1.382 0.030 2
864 81 81 LYS HB3 H 0.339 0.030 2
865 81 81 LYS HG2 H 0.775 0.030 2
866 81 81 LYS HG3 H 0.427 0.030 2
867 81 81 LYS HD2 H 1.536 0.030 2
868 81 81 LYS C C 174.625 0.300 1
869 81 81 LYS CA C 61.926 0.300 1
870 81 81 LYS CB C 29.886 0.300 1
871 81 81 LYS CG C 25.165 0.300 1
872 81 81 LYS CD C 29.770 0.300 1
873 81 81 LYS N N 118.803 0.300 1
874 82 82 PRO HA H 4.073 0.030 1
875 82 82 PRO HB2 H 2.237 0.030 2
876 82 82 PRO HB3 H 1.851 0.030 2
877 82 82 PRO HG2 H 2.115 0.030 2
878 82 82 PRO HG3 H 1.833 0.030 2
879 82 82 PRO HD2 H 3.573 0.030 2
880 82 82 PRO HD3 H 3.473 0.030 2
881 82 82 PRO CA C 66.067 0.300 1
882 82 82 PRO CB C 30.451 0.300 1
883 82 82 PRO CG C 28.292 0.300 1
884 82 82 PRO CD C 49.397 0.300 1
885 83 83 TYR H H 7.588 0.030 1
886 83 83 TYR HA H 4.267 0.030 1
887 83 83 TYR HB2 H 3.397 0.030 2
888 83 83 TYR HB3 H 3.278 0.030 2
889 83 83 TYR HD1 H 7.342 0.030 1
890 83 83 TYR HD2 H 7.342 0.030 1
891 83 83 TYR HE1 H 7.236 0.030 1
892 83 83 TYR HE2 H 7.236 0.030 1
893 83 83 TYR C C 177.769 0.300 1
894 83 83 TYR CA C 61.403 0.300 1
895 83 83 TYR CB C 38.723 0.300 1
896 83 83 TYR CD1 C 133.747 0.300 1
897 83 83 TYR CD2 C 133.747 0.300 1
898 83 83 TYR CE1 C 119.199 0.300 1
899 83 83 TYR CE2 C 119.199 0.300 1
900 83 83 TYR N N 118.006 0.300 1
901 84 84 TRP H H 8.632 0.030 1
902 84 84 TRP HA H 4.328 0.030 1
903 84 84 TRP HB2 H 3.431 0.030 2
904 84 84 TRP HB3 H 3.307 0.030 2
905 84 84 TRP HD1 H 7.318 0.030 1
906 84 84 TRP HE1 H 10.041 0.030 1
907 84 84 TRP HE3 H 7.345 0.030 1
908 84 84 TRP HZ2 H 6.729 0.030 1
909 84 84 TRP HH2 H 6.651 0.030 1
910 84 84 TRP C C 177.332 0.300 1
911 84 84 TRP CA C 58.573 0.300 1
912 84 84 TRP CB C 30.772 0.300 1
913 84 84 TRP CD1 C 126.466 0.300 1
914 84 84 TRP CE3 C 120.456 0.300 1
915 84 84 TRP CZ2 C 114.243 0.300 1
916 84 84 TRP CZ3 C 120.429 0.300 1
917 84 84 TRP CH2 C 124.179 0.300 1
918 84 84 TRP N N 119.162 0.300 1
919 84 84 TRP NE1 N 128.289 0.300 1
920 85 85 LYS H H 8.329 0.030 1
921 85 85 LYS HA H 3.472 0.030 1
922 85 85 LYS HB2 H 1.742 0.030 2
923 85 85 LYS HB3 H 1.707 0.030 2
924 85 85 LYS HG2 H 1.518 0.030 2
925 85 85 LYS HG3 H 1.435 0.030 2
926 85 85 LYS HE2 H 2.946 0.030 2
927 85 85 LYS C C 176.093 0.300 1
928 85 85 LYS CA C 57.166 0.300 1
929 85 85 LYS CB C 31.968 0.300 1
930 85 85 LYS CG C 25.096 0.300 1
931 85 85 LYS CD C 28.638 0.300 1
932 85 85 LYS CE C 41.901 0.300 1
933 85 85 LYS N N 115.760 0.300 1
934 86 86 ASP H H 6.942 0.030 1
935 86 86 ASP HA H 4.535 0.030 1
936 86 86 ASP HB2 H 3.009 0.030 2
937 86 86 ASP HB3 H 2.560 0.030 2
938 86 86 ASP C C 175.912 0.300 1
939 86 86 ASP CA C 51.530 0.300 1
940 86 86 ASP CB C 41.381 0.300 1
941 86 86 ASP N N 121.591 0.300 1
942 87 87 PRO HA H 3.896 0.030 1
943 87 87 PRO HB2 H 2.198 0.030 2
944 87 87 PRO HB3 H 1.821 0.030 2
945 87 87 PRO HG2 H 1.919 0.030 2
946 87 87 PRO HG3 H 1.833 0.030 2
947 87 87 PRO HD2 H 3.987 0.030 2
948 87 87 PRO HD3 H 3.868 0.030 2
949 87 87 PRO C C 176.737 0.300 1
950 87 87 PRO CA C 63.696 0.300 1
951 87 87 PRO CB C 32.388 0.300 1
952 87 87 PRO CG C 26.854 0.300 1
953 87 87 PRO CD C 51.242 0.300 1
954 88 88 ASN H H 8.437 0.030 1
955 88 88 ASN HA H 4.666 0.030 1
956 88 88 ASN HB2 H 2.864 0.030 2
957 88 88 ASN HB3 H 2.592 0.030 2
958 88 88 ASN HD21 H 7.783 0.030 2
959 88 88 ASN HD22 H 6.864 0.030 2
960 88 88 ASN C C 174.819 0.300 1
961 88 88 ASN CA C 52.375 0.300 1
962 88 88 ASN CB C 39.135 0.300 1
963 88 88 ASN N N 114.581 0.300 1
964 88 88 ASN ND2 N 114.599 0.300 1
965 89 89 ASN H H 7.187 0.030 1
966 89 89 ASN HA H 4.344 0.030 1
967 89 89 ASN HB2 H 2.749 0.030 2
968 89 89 ASN HB3 H 2.256 0.030 2
969 89 89 ASN HD21 H 6.995 0.030 1
970 89 89 ASN HD22 H 6.995 0.030 1
971 89 89 ASN C C 174.868 0.300 1
972 89 89 ASN CA C 54.047 0.300 1
973 89 89 ASN CB C 37.663 0.300 1
974 89 89 ASN N N 118.496 0.300 1
975 89 89 ASN ND2 N 116.799 0.300 1
976 90 90 ASP H H 8.075 0.030 1
977 90 90 ASP HA H 4.085 0.030 1
978 90 90 ASP HB2 H 1.660 0.030 2
979 90 90 ASP HB3 H 1.080 0.030 2
980 90 90 ASP C C 178.703 0.300 1
981 90 90 ASP CA C 58.053 0.300 1
982 90 90 ASP CB C 41.410 0.300 1
983 90 90 ASP N N 117.347 0.300 1
984 91 91 PHE H H 8.090 0.030 1
985 91 91 PHE HA H 3.980 0.030 1
986 91 91 PHE HB2 H 3.635 0.030 2
987 91 91 PHE HB3 H 2.950 0.030 2
988 91 91 PHE HD1 H 7.451 0.030 1
989 91 91 PHE HD2 H 7.451 0.030 1
990 91 91 PHE HE1 H 7.687 0.030 1
991 91 91 PHE HE2 H 7.687 0.030 1
992 91 91 PHE HZ H 6.906 0.030 1
993 91 91 PHE C C 178.315 0.300 1
994 91 91 PHE CA C 63.434 0.300 1
995 91 91 PHE CB C 38.842 0.300 1
996 91 91 PHE CD1 C 131.927 0.300 1
997 91 91 PHE CD2 C 131.927 0.300 1
998 91 91 PHE CE1 C 132.681 0.300 1
999 91 91 PHE CE2 C 132.681 0.300 1
1000 91 91 PHE CZ C 129.573 0.300 1
1001 91 91 PHE N N 117.005 0.300 1
1002 92 92 ARG H H 7.667 0.030 1
1003 92 92 ARG HA H 4.253 0.030 1
1004 92 92 ARG HB2 H 1.541 0.030 2
1005 92 92 ARG HB3 H 1.419 0.030 2
1006 92 92 ARG HG2 H 1.640 0.030 2
1007 92 92 ARG HG3 H 1.070 0.030 2
1008 92 92 ARG HD2 H 2.845 0.030 2
1009 92 92 ARG HD3 H 2.827 0.030 2
1010 92 92 ARG HE H 5.707 0.030 1
1011 92 92 ARG C C 179.942 0.300 1
1012 92 92 ARG CA C 58.798 0.300 1
1013 92 92 ARG CB C 30.649 0.300 1
1014 92 92 ARG CG C 27.364 0.300 1
1015 92 92 ARG CD C 43.947 0.300 1
1016 92 92 ARG N N 119.529 0.300 1
1017 92 92 ARG NE N 81.430 0.300 1
1018 93 93 GLN H H 8.142 0.030 1
1019 93 93 GLN HA H 3.994 0.030 1
1020 93 93 GLN HB2 H 2.091 0.030 2
1021 93 93 GLN HB3 H 1.795 0.030 2
1022 93 93 GLN HG2 H 2.320 0.030 2
1023 93 93 GLN HG3 H 2.208 0.030 2
1024 93 93 GLN HE21 H 7.411 0.030 2
1025 93 93 GLN HE22 H 6.801 0.030 2
1026 93 93 GLN C C 177.696 0.300 1
1027 93 93 GLN CA C 58.077 0.300 1
1028 93 93 GLN CB C 29.639 0.300 1
1029 93 93 GLN CG C 33.615 0.300 1
1030 93 93 GLN N N 114.397 0.300 1
1031 93 93 GLN NE2 N 113.198 0.300 1
1032 94 94 LYS H H 8.361 0.030 1
1033 94 94 LYS HA H 4.378 0.030 1
1034 94 94 LYS HB2 H 1.821 0.030 2
1035 94 94 LYS HG2 H 1.265 0.030 2
1036 94 94 LYS HG3 H 1.225 0.030 2
1037 94 94 LYS HD2 H 1.483 0.030 2
1038 94 94 LYS HD3 H 1.079 0.030 2
1039 94 94 LYS HE2 H 2.796 0.030 2
1040 94 94 LYS C C 178.145 0.300 1
1041 94 94 LYS CA C 58.006 0.300 1
1042 94 94 LYS CB C 32.463 0.300 1
1043 94 94 LYS CG C 26.111 0.300 1
1044 94 94 LYS CD C 29.347 0.300 1
1045 94 94 LYS CE C 42.230 0.300 1
1046 94 94 LYS N N 115.041 0.300 1
1047 95 95 LEU H H 6.716 0.030 1
1048 95 95 LEU HA H 4.652 0.030 1
1049 95 95 LEU HB2 H 2.088 0.030 2
1050 95 95 LEU HB3 H 1.818 0.030 2
1051 95 95 LEU HG H 1.865 0.030 1
1052 95 95 LEU HD1 H 1.171 0.030 1
1053 95 95 LEU HD2 H 1.226 0.030 1
1054 95 95 LEU C C 175.754 0.300 1
1055 95 95 LEU CA C 54.187 0.300 1
1056 95 95 LEU CB C 44.383 0.300 1
1057 95 95 LEU CG C 27.601 0.300 1
1058 95 95 LEU CD1 C 27.292 0.300 2
1059 95 95 LEU CD2 C 24.156 0.300 2
1060 95 95 LEU N N 115.718 0.300 1
1061 96 96 LYS H H 6.947 0.030 1
1062 96 96 LYS HA H 4.019 0.030 1
1063 96 96 LYS HB2 H 2.100 0.030 2
1064 96 96 LYS HB3 H 1.910 0.030 2
1065 96 96 LYS HG2 H 1.311 0.030 2
1066 96 96 LYS HG3 H 1.183 0.030 2
1067 96 96 LYS HD2 H 1.602 0.030 2
1068 96 96 LYS HD3 H 1.552 0.030 2
1069 96 96 LYS HE2 H 2.946 0.030 2
1070 96 96 LYS C C 175.790 0.300 1
1071 96 96 LYS CA C 56.870 0.300 1
1072 96 96 LYS CB C 28.220 0.300 1
1073 96 96 LYS CG C 24.766 0.300 1
1074 96 96 LYS CD C 28.733 0.300 1
1075 96 96 LYS CE C 42.725 0.300 1
1076 96 96 LYS N N 112.205 0.300 1
1077 97 97 ILE H H 7.578 0.030 1
1078 97 97 ILE HA H 4.279 0.030 1
1079 97 97 ILE HB H 1.751 0.030 1
1080 97 97 ILE HG12 H 1.156 0.030 2
1081 97 97 ILE HG13 H 0.530 0.030 2
1082 97 97 ILE HG2 H 0.626 0.030 1
1083 97 97 ILE HD1 H 0.184 0.030 1
1084 97 97 ILE C C 175.936 0.300 1
1085 97 97 ILE CA C 59.361 0.300 1
1086 97 97 ILE CB C 36.542 0.300 1
1087 97 97 ILE CG1 C 26.130 0.300 1
1088 97 97 ILE CG2 C 17.480 0.300 1
1089 97 97 ILE CD1 C 10.801 0.300 1
1090 97 97 ILE N N 118.252 0.300 1
1091 98 98 THR H H 8.251 0.030 1
1092 98 98 THR HA H 4.489 0.030 1
1093 98 98 THR HB H 4.452 0.030 1
1094 98 98 THR HG2 H 1.076 0.030 1
1095 98 98 THR C C 174.285 0.300 1
1096 98 98 THR CA C 61.262 0.300 1
1097 98 98 THR CB C 69.707 0.300 1
1098 98 98 THR CG2 C 21.664 0.300 1
1099 98 98 THR N N 112.549 0.300 1
1100 99 99 ALA H H 7.740 0.030 1
1101 99 99 ALA HA H 4.977 0.030 1
1102 99 99 ALA HB H 1.365 0.030 1
1103 99 99 ALA C C 175.535 0.300 1
1104 99 99 ALA CA C 52.050 0.300 1
1105 99 99 ALA CB C 23.136 0.300 1
1106 99 99 ALA N N 123.047 0.300 1
1107 100 100 VAL H H 8.055 0.030 1
1108 100 100 VAL HA H 4.201 0.030 1
1109 100 100 VAL HB H 1.195 0.030 1
1110 100 100 VAL HG1 H -0.422 0.030 1
1111 100 100 VAL HG2 H -0.056 0.030 1
1112 100 100 VAL C C 172.343 0.300 1
1113 100 100 VAL CA C 57.573 0.300 1
1114 100 100 VAL CB C 33.290 0.300 1
1115 100 100 VAL CG1 C 21.691 0.300 2
1116 100 100 VAL CG2 C 16.893 0.300 2
1117 100 100 VAL N N 112.190 0.300 1
1118 101 101 PRO HA H 4.951 0.030 1
1119 101 101 PRO HB2 H 2.732 0.030 2
1120 101 101 PRO HB3 H 2.355 0.030 2
1121 101 101 PRO HG2 H 2.119 0.030 2
1122 101 101 PRO HG3 H 1.590 0.030 2
1123 101 101 PRO HD2 H 3.620 0.030 2
1124 101 101 PRO HD3 H 3.228 0.030 2
1125 101 101 PRO C C 176.276 0.300 1
1126 101 101 PRO CA C 62.054 0.300 1
1127 101 101 PRO CB C 35.428 0.300 1
1128 101 101 PRO CG C 23.631 0.300 1
1129 101 101 PRO CD C 51.045 0.300 1
1130 102 102 THR H H 7.670 0.030 1
1131 102 102 THR HA H 5.212 0.030 1
1132 102 102 THR HB H 3.991 0.030 1
1133 102 102 THR HG2 H 1.343 0.030 1
1134 102 102 THR C C 171.869 0.300 1
1135 102 102 THR CA C 63.744 0.300 1
1136 102 102 THR CB C 74.675 0.300 1
1137 102 102 THR CG2 C 22.100 0.300 1
1138 102 102 THR N N 115.064 0.300 1
1139 103 103 LEU H H 9.326 0.030 1
1140 103 103 LEU HA H 5.755 0.030 1
1141 103 103 LEU HB2 H 1.973 0.030 2
1142 103 103 LEU HB3 H 1.509 0.030 2
1143 103 103 LEU HG H 1.469 0.030 1
1144 103 103 LEU HD1 H 1.128 0.030 1
1145 103 103 LEU HD2 H 0.665 0.030 1
1146 103 103 LEU C C 173.374 0.300 1
1147 103 103 LEU CA C 53.730 0.300 1
1148 103 103 LEU CB C 46.257 0.300 1
1149 103 103 LEU CG C 28.175 0.300 1
1150 103 103 LEU CD1 C 23.088 0.300 2
1151 103 103 LEU CD2 C 27.020 0.300 2
1152 103 103 LEU N N 129.298 0.300 1
1153 104 104 LEU H H 9.917 0.030 1
1154 104 104 LEU HA H 5.165 0.030 1
1155 104 104 LEU HB2 H 2.185 0.030 2
1156 104 104 LEU HB3 H 1.814 0.030 2
1157 104 104 LEU HG H 1.793 0.030 1
1158 104 104 LEU HD1 H 1.184 0.030 1
1159 104 104 LEU HD2 H 1.234 0.030 1
1160 104 104 LEU C C 175.402 0.300 1
1161 104 104 LEU CA C 53.870 0.300 1
1162 104 104 LEU CB C 47.743 0.300 1
1163 104 104 LEU CG C 27.391 0.300 1
1164 104 104 LEU CD1 C 24.112 0.300 2
1165 104 104 LEU CD2 C 26.619 0.300 2
1166 104 104 LEU N N 126.613 0.300 1
1167 105 105 LYS H H 8.209 0.030 1
1168 105 105 LYS HA H 4.825 0.030 1
1169 105 105 LYS HB2 H 2.213 0.030 2
1170 105 105 LYS HB3 H 1.383 0.030 2
1171 105 105 LYS HG2 H 1.124 0.030 2
1172 105 105 LYS HG3 H 0.664 0.030 2
1173 105 105 LYS HD2 H 1.810 0.030 2
1174 105 105 LYS HD3 H 1.774 0.030 2
1175 105 105 LYS HE2 H 2.955 0.030 2
1176 105 105 LYS HE3 H 2.829 0.030 2
1177 105 105 LYS C C 175.232 0.300 1
1178 105 105 LYS CA C 56.035 0.300 1
1179 105 105 LYS CB C 32.170 0.300 1
1180 105 105 LYS CG C 24.959 0.300 1
1181 105 105 LYS CD C 30.046 0.300 1
1182 105 105 LYS CE C 42.225 0.300 1
1183 105 105 LYS N N 126.756 0.300 1
1184 106 106 TYR H H 8.755 0.030 1
1185 106 106 TYR HA H 4.035 0.030 1
1186 106 106 TYR HB2 H 3.149 0.030 2
1187 106 106 TYR HB3 H 2.760 0.030 2
1188 106 106 TYR HD1 H 7.149 0.030 1
1189 106 106 TYR HD2 H 7.149 0.030 1
1190 106 106 TYR HE1 H 6.991 0.030 1
1191 106 106 TYR HE2 H 6.991 0.030 1
1192 106 106 TYR C C 176.155 0.300 1
1193 106 106 TYR CA C 61.772 0.300 1
1194 106 106 TYR CB C 39.671 0.300 1
1195 106 106 TYR CD1 C 132.592 0.300 1
1196 106 106 TYR CD2 C 132.592 0.300 1
1197 106 106 TYR CE1 C 118.801 0.300 1
1198 106 106 TYR CE2 C 118.801 0.300 1
1199 106 106 TYR N N 130.583 0.300 1
1200 107 107 GLY H H 8.612 0.030 1
1201 107 107 GLY HA2 H 4.153 0.030 2
1202 107 107 GLY HA3 H 3.451 0.030 2
1203 107 107 GLY C C 173.544 0.300 1
1204 107 107 GLY CA C 44.835 0.300 1
1205 107 107 GLY N N 114.986 0.300 1
1206 108 108 THR H H 7.944 0.030 1
1207 108 108 THR HA H 5.212 0.030 1
1208 108 108 THR HB H 4.587 0.030 1
1209 108 108 THR HG2 H 1.109 0.030 1
1210 108 108 THR C C 173.435 0.300 1
1211 108 108 THR CA C 59.627 0.300 1
1212 108 108 THR CB C 70.333 0.300 1
1213 108 108 THR CG2 C 20.844 0.300 1
1214 108 108 THR N N 111.599 0.300 1
1215 109 109 PRO HA H 4.702 0.030 1
1216 109 109 PRO HB2 H 2.377 0.030 2
1217 109 109 PRO HB3 H 2.091 0.030 2
1218 109 109 PRO HG2 H 2.005 0.030 1
1219 109 109 PRO HG3 H 2.005 0.030 1
1220 109 109 PRO HD2 H 3.916 0.030 2
1221 109 109 PRO HD3 H 3.821 0.030 2
1222 109 109 PRO C C 177.247 0.300 1
1223 109 109 PRO CA C 62.582 0.300 1
1224 109 109 PRO CB C 31.869 0.300 1
1225 109 109 PRO CG C 27.297 0.300 1
1226 109 109 PRO CD C 50.771 0.300 1
1227 110 110 GLN H H 8.431 0.030 1
1228 110 110 GLN HA H 4.333 0.030 1
1229 110 110 GLN HB2 H 2.240 0.030 2
1230 110 110 GLN HB3 H 1.975 0.030 2
1231 110 110 GLN HG2 H 2.377 0.030 2
1232 110 110 GLN HE21 H 7.547 0.030 2
1233 110 110 GLN HE22 H 7.076 0.030 2
1234 110 110 GLN C C 174.030 0.300 1
1235 110 110 GLN CA C 57.126 0.300 1
1236 110 110 GLN CB C 29.245 0.300 1
1237 110 110 GLN CG C 34.442 0.300 1
1238 110 110 GLN N N 119.645 0.300 1
1239 110 110 GLN NE2 N 111.535 0.300 1
1240 111 111 LYS H H 8.068 0.030 1
1241 111 111 LYS HA H 5.317 0.030 1
1242 111 111 LYS HB2 H 1.926 0.030 2
1243 111 111 LYS HB3 H 1.657 0.030 2
1244 111 111 LYS HG2 H 1.422 0.030 2
1245 111 111 LYS HG3 H 1.228 0.030 2
1246 111 111 LYS HD2 H 1.598 0.030 1
1247 111 111 LYS HD3 H 1.598 0.030 1
1248 111 111 LYS HE2 H 2.966 0.030 2
1249 111 111 LYS C C 173.921 0.300 1
1250 111 111 LYS CA C 54.694 0.300 1
1251 111 111 LYS CB C 36.509 0.300 1
1252 111 111 LYS CG C 23.278 0.300 1
1253 111 111 LYS CD C 29.874 0.300 1
1254 111 111 LYS CE C 42.148 0.300 1
1255 111 111 LYS N N 122.137 0.300 1
1256 112 112 LEU H H 9.318 0.030 1
1257 112 112 LEU HA H 4.987 0.030 1
1258 112 112 LEU HB2 H 1.851 0.030 2
1259 112 112 LEU HB3 H 1.288 0.030 2
1260 112 112 LEU HG H 1.536 0.030 1
1261 112 112 LEU HD1 H 0.729 0.030 1
1262 112 112 LEU HD2 H 0.900 0.030 1
1263 112 112 LEU C C 175.814 0.300 1
1264 112 112 LEU CA C 53.078 0.300 1
1265 112 112 LEU CB C 45.386 0.300 1
1266 112 112 LEU CG C 27.002 0.300 1
1267 112 112 LEU CD1 C 27.068 0.300 2
1268 112 112 LEU CD2 C 23.167 0.300 2
1269 112 112 LEU N N 122.479 0.300 1
1270 113 113 VAL H H 9.487 0.030 1
1271 113 113 VAL HA H 4.815 0.030 1
1272 113 113 VAL HB H 1.957 0.030 1
1273 113 113 VAL HG1 H 0.999 0.030 1
1274 113 113 VAL HG2 H 0.941 0.030 1
1275 113 113 VAL C C 176.033 0.300 1
1276 113 113 VAL CA C 60.488 0.300 1
1277 113 113 VAL CB C 35.905 0.300 1
1278 113 113 VAL CG1 C 22.114 0.300 2
1279 113 113 VAL CG2 C 20.400 0.300 2
1280 113 113 VAL N N 119.098 0.300 1
1281 114 114 GLU H H 9.086 0.030 1
1282 114 114 GLU HA H 3.379 0.030 1
1283 114 114 GLU HB2 H 2.378 0.030 2
1284 114 114 GLU HB3 H 2.209 0.030 2
1285 114 114 GLU HG2 H 2.192 0.030 1
1286 114 114 GLU HG3 H 2.192 0.030 1
1287 114 114 GLU C C 176.919 0.300 1
1288 114 114 GLU CA C 58.903 0.300 1
1289 114 114 GLU CB C 28.398 0.300 1
1290 114 114 GLU CG C 38.441 0.300 1
1291 114 114 GLU N N 122.904 0.300 1
1292 115 115 SER H H 8.289 0.030 1
1293 115 115 SER HA H 4.244 0.030 1
1294 115 115 SER HB2 H 4.065 0.030 1
1295 115 115 SER HB3 H 4.065 0.030 1
1296 115 115 SER C C 177.441 0.300 1
1297 115 115 SER CA C 61.916 0.300 1
1298 115 115 SER CB C 62.652 0.300 1
1299 115 115 SER N N 117.721 0.300 1
1300 116 116 GLU H H 8.101 0.030 1
1301 116 116 GLU HA H 4.037 0.030 1
1302 116 116 GLU HB2 H 2.266 0.030 2
1303 116 116 GLU HB3 H 2.074 0.030 2
1304 116 116 GLU HG2 H 2.623 0.030 2
1305 116 116 GLU HG3 H 2.163 0.030 2
1306 116 116 GLU C C 178.546 0.300 1
1307 116 116 GLU CA C 59.502 0.300 1
1308 116 116 GLU CB C 31.419 0.300 1
1309 116 116 GLU CG C 36.614 0.300 1
1310 116 116 GLU N N 122.972 0.300 1
1311 117 117 CYS H H 7.631 0.030 1
1312 117 117 CYS HA H 3.770 0.030 1
1313 117 117 CYS HB2 H 2.865 0.030 1
1314 117 117 CYS HB3 H 2.865 0.030 1
1315 117 117 CYS C C 171.323 0.300 1
1316 117 117 CYS CA C 61.575 0.300 1
1317 117 117 CYS CB C 27.912 0.300 1
1318 117 117 CYS N N 110.263 0.300 1
1319 118 118 CYS H H 7.141 0.030 1
1320 118 118 CYS HA H 4.377 0.030 1
1321 118 118 CYS HB2 H 3.159 0.030 2
1322 118 118 CYS HB3 H 3.028 0.030 2
1323 118 118 CYS C C 174.212 0.300 1
1324 118 118 CYS CA C 57.021 0.300 1
1325 118 118 CYS CB C 27.912 0.300 1
1326 118 118 CYS N N 108.639 0.300 1
1327 119 119 GLN H H 7.287 0.030 1
1328 119 119 GLN HA H 4.594 0.030 1
1329 119 119 GLN HB2 H 2.268 0.030 2
1330 119 119 GLN HB3 H 2.189 0.030 2
1331 119 119 GLN HG2 H 2.501 0.030 1
1332 119 119 GLN HG3 H 2.501 0.030 1
1333 119 119 GLN HE21 H 7.099 0.030 2
1334 119 119 GLN HE22 H 6.956 0.030 2
1335 119 119 GLN C C 175.353 0.300 1
1336 119 119 GLN CA C 53.976 0.300 1
1337 119 119 GLN CB C 28.434 0.300 1
1338 119 119 GLN CG C 33.124 0.300 1
1339 119 119 GLN N N 120.225 0.300 1
1340 119 119 GLN NE2 N 112.567 0.300 1
1341 120 120 SER H H 9.083 0.030 1
1342 120 120 SER HB2 H 3.892 0.030 2
1343 120 120 SER HB3 H 3.811 0.030 2
1344 120 120 SER CA C 62.406 0.300 1
1345 120 120 SER CB C 62.390 0.300 1
1346 120 120 SER N N 123.968 0.300 1
1347 121 121 SER H H 8.731 0.030 1
1348 121 121 SER HA H 4.138 0.030 1
1349 121 121 SER HB2 H 3.901 0.030 2
1350 121 121 SER HB3 H 3.862 0.030 2
1351 121 121 SER C C 176.786 0.300 1
1352 121 121 SER CA C 61.350 0.300 1
1353 121 121 SER CB C 62.199 0.300 1
1354 121 121 SER N N 115.712 0.300 1
1355 122 122 LEU H H 6.835 0.030 1
1356 122 122 LEU HA H 4.237 0.030 1
1357 122 122 LEU HB2 H 2.131 0.030 2
1358 122 122 LEU HB3 H 1.543 0.030 2
1359 122 122 LEU HG H 1.686 0.030 1
1360 122 122 LEU HD1 H 1.041 0.030 1
1361 122 122 LEU HD2 H 0.855 0.030 1
1362 122 122 LEU C C 179.201 0.300 1
1363 122 122 LEU CA C 56.993 0.300 1
1364 122 122 LEU CB C 41.177 0.300 1
1365 122 122 LEU CG C 27.155 0.300 1
1366 122 122 LEU CD1 C 25.548 0.300 2
1367 122 122 LEU CD2 C 22.078 0.300 2
1368 122 122 LEU N N 120.895 0.300 1
1369 123 123 VAL H H 7.894 0.030 1
1370 123 123 VAL HA H 3.223 0.030 1
1371 123 123 VAL HB H 1.825 0.030 1
1372 123 123 VAL HG1 H 0.842 0.030 1
1373 123 123 VAL HG2 H 0.790 0.030 1
1374 123 123 VAL C C 177.077 0.300 1
1375 123 123 VAL CA C 66.295 0.300 1
1376 123 123 VAL CB C 32.132 0.300 1
1377 123 123 VAL CG1 C 23.136 0.300 2
1378 123 123 VAL CG2 C 23.588 0.300 2
1379 123 123 VAL N N 121.823 0.300 1
1380 124 124 GLU H H 8.404 0.030 1
1381 124 124 GLU HA H 3.785 0.030 1
1382 124 124 GLU HB2 H 1.949 0.030 2
1383 124 124 GLU HB3 H 1.838 0.030 2
1384 124 124 GLU HG2 H 2.166 0.030 2
1385 124 124 GLU HG3 H 1.926 0.030 2
1386 124 124 GLU C C 179.128 0.300 1
1387 124 124 GLU CA C 59.837 0.300 1
1388 124 124 GLU CB C 29.096 0.300 1
1389 124 124 GLU CG C 36.292 0.300 1
1390 124 124 GLU N N 117.048 0.300 1
1391 125 125 MET H H 7.169 0.030 1
1392 125 125 MET HA H 4.168 0.030 1
1393 125 125 MET HB2 H 2.286 0.030 2
1394 125 125 MET HB3 H 2.233 0.030 2
1395 125 125 MET HG2 H 2.768 0.030 2
1396 125 125 MET HG3 H 2.530 0.030 2
1397 125 125 MET HE H 2.103 0.030 1
1398 125 125 MET C C 178.570 0.300 1
1399 125 125 MET CA C 58.745 0.300 1
1400 125 125 MET CB C 32.521 0.300 1
1401 125 125 MET CG C 31.845 0.300 1
1402 125 125 MET CE C 16.814 0.300 1
1403 125 125 MET N N 116.909 0.300 1
1404 126 126 ILE H H 7.588 0.030 1
1405 126 126 ILE HA H 4.041 0.030 1
1406 126 126 ILE HB H 1.719 0.030 1
1407 126 126 ILE HG12 H 1.434 0.030 2
1408 126 126 ILE HG13 H 1.416 0.030 2
1409 126 126 ILE HG2 H 0.531 0.030 1
1410 126 126 ILE HD1 H 0.647 0.030 1
1411 126 126 ILE C C 176.943 0.300 1
1412 126 126 ILE CA C 63.779 0.300 1
1413 126 126 ILE CB C 36.734 0.300 1
1414 126 126 ILE CG1 C 29.627 0.300 1
1415 126 126 ILE CG2 C 16.540 0.300 1
1416 126 126 ILE CD1 C 11.833 0.300 1
1417 126 126 ILE N N 120.105 0.300 1
1418 127 127 PHE H H 7.040 0.030 1
1419 127 127 PHE HA H 4.414 0.030 1
1420 127 127 PHE HB2 H 2.864 0.030 2
1421 127 127 PHE HB3 H 2.519 0.030 2
1422 127 127 PHE HD1 H 6.126 0.030 1
1423 127 127 PHE HD2 H 6.126 0.030 1
1424 127 127 PHE HE1 H 6.479 0.030 1
1425 127 127 PHE HE2 H 6.479 0.030 1
1426 127 127 PHE HZ H 6.409 0.030 1
1427 127 127 PHE C C 176.142 0.300 1
1428 127 127 PHE CA C 58.429 0.300 1
1429 127 127 PHE CB C 39.308 0.300 1
1430 127 127 PHE CD1 C 130.440 0.300 1
1431 127 127 PHE CD2 C 130.440 0.300 1
1432 127 127 PHE CE1 C 129.889 0.300 1
1433 127 127 PHE CE2 C 129.889 0.300 1
1434 127 127 PHE CZ C 127.786 0.300 1
1435 127 127 PHE N N 116.957 0.300 1
1436 128 128 SER H H 7.722 0.030 1
1437 128 128 SER HA H 4.724 0.030 1
1438 128 128 SER HB2 H 4.055 0.030 2
1439 128 128 SER HB3 H 3.988 0.030 2
1440 128 128 SER C C 174.746 0.300 1
1441 128 128 SER CA C 59.150 0.300 1
1442 128 128 SER CB C 65.007 0.300 1
1443 128 128 SER N N 113.009 0.300 1
1444 129 129 GLU H H 8.258 0.030 1
1445 129 129 GLU HA H 4.464 0.030 1
1446 129 129 GLU HB2 H 2.197 0.030 2
1447 129 129 GLU HB3 H 2.126 0.030 2
1448 129 129 GLU HG2 H 2.462 0.030 2
1449 129 129 GLU HG3 H 2.434 0.030 2
1450 129 129 GLU C C 175.596 0.300 1
1451 129 129 GLU CA C 56.687 0.300 1
1452 129 129 GLU CB C 30.330 0.300 1
1453 129 129 GLU CG C 35.907 0.300 1
1454 129 129 GLU N N 122.964 0.300 1
1455 130 130 ASP H H 8.160 0.030 1
1456 130 130 ASP HA H 4.444 0.030 1
1457 130 130 ASP HB2 H 2.734 0.030 2
1458 130 130 ASP HB3 H 2.614 0.030 2
1459 130 130 ASP C C 180.961 0.300 1
1460 130 130 ASP CA C 55.965 0.300 1
1461 130 130 ASP CB C 42.074 0.300 1
1462 130 130 ASP N N 126.965 0.300 1
stop_
save_