data_10278
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the PH domain of Pleckstrin homology domain-containing
protein family B member 1 from mouse
;
_BMRB_accession_number 10278
_BMRB_flat_file_name bmr10278.str
_Entry_type original
_Submission_date 2008-12-15
_Accession_date 2008-12-15
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Li H. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 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" 685
"13C chemical shifts" 518
"15N chemical shifts" 129
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-12-14 original BMRB .
stop_
_Original_release_date 2008-12-15
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the PH domain of Pleckstrin homology domain-containing
protein family B member 1 from mouse
;
_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 Li H. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 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 'Pleckstrin homology domain-containing protein family B member 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PH domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'PH domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 130
_Mol_residue_sequence
;
GSSGSSGLVRGGWLWRQSSI
LRRWKRNWFALWLDGTLGYY
HDETAQDEEDRVVIHFNVRD
IKVGQECQDVQPPEGRSRDG
LLTVNLREGSRLHLCAETRD
DAIAWKTALMEANSTPAPAG
ATVPSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 LEU 9 VAL 10 ARG
11 GLY 12 GLY 13 TRP 14 LEU 15 TRP
16 ARG 17 GLN 18 SER 19 SER 20 ILE
21 LEU 22 ARG 23 ARG 24 TRP 25 LYS
26 ARG 27 ASN 28 TRP 29 PHE 30 ALA
31 LEU 32 TRP 33 LEU 34 ASP 35 GLY
36 THR 37 LEU 38 GLY 39 TYR 40 TYR
41 HIS 42 ASP 43 GLU 44 THR 45 ALA
46 GLN 47 ASP 48 GLU 49 GLU 50 ASP
51 ARG 52 VAL 53 VAL 54 ILE 55 HIS
56 PHE 57 ASN 58 VAL 59 ARG 60 ASP
61 ILE 62 LYS 63 VAL 64 GLY 65 GLN
66 GLU 67 CYS 68 GLN 69 ASP 70 VAL
71 GLN 72 PRO 73 PRO 74 GLU 75 GLY
76 ARG 77 SER 78 ARG 79 ASP 80 GLY
81 LEU 82 LEU 83 THR 84 VAL 85 ASN
86 LEU 87 ARG 88 GLU 89 GLY 90 SER
91 ARG 92 LEU 93 HIS 94 LEU 95 CYS
96 ALA 97 GLU 98 THR 99 ARG 100 ASP
101 ASP 102 ALA 103 ILE 104 ALA 105 TRP
106 LYS 107 THR 108 ALA 109 LEU 110 MET
111 GLU 112 ALA 113 ASN 114 SER 115 THR
116 PRO 117 ALA 118 PRO 119 ALA 120 GLY
121 ALA 122 THR 123 VAL 124 PRO 125 SER
126 GLY 127 PRO 128 SER 129 SER 130 GLY
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
$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 P050302-02
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 1.12 mM '[U-13C; U-15N]'
d-Tris-HCl 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 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20030801
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 0.932
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_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
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 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 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 15N-separated NOESY'
'3D 13C-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 'PH domain'
_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 6 6 SER HA H 4.445 0.030 1
2 6 6 SER HB2 H 3.798 0.030 1
3 6 6 SER HB3 H 3.798 0.030 1
4 6 6 SER C C 174.707 0.300 1
5 6 6 SER CA C 58.482 0.300 1
6 6 6 SER CB C 63.848 0.300 1
7 7 7 GLY H H 8.494 0.030 1
8 7 7 GLY HA2 H 4.105 0.030 1
9 7 7 GLY HA3 H 4.105 0.030 1
10 7 7 GLY C C 172.961 0.300 1
11 7 7 GLY CA C 45.864 0.300 1
12 7 7 GLY N N 110.325 0.300 1
13 8 8 LEU H H 8.295 0.030 1
14 8 8 LEU HA H 4.268 0.030 1
15 8 8 LEU HB2 H 1.827 0.030 2
16 8 8 LEU HB3 H 1.415 0.030 2
17 8 8 LEU HD1 H 0.200 0.030 1
18 8 8 LEU HD2 H 0.765 0.030 1
19 8 8 LEU HG H 0.936 0.030 1
20 8 8 LEU C C 176.773 0.300 1
21 8 8 LEU CA C 55.587 0.300 1
22 8 8 LEU CB C 43.367 0.300 1
23 8 8 LEU CD1 C 24.139 0.300 2
24 8 8 LEU CD2 C 26.013 0.300 2
25 8 8 LEU CG C 27.192 0.300 1
26 8 8 LEU N N 123.800 0.300 1
27 9 9 VAL H H 9.290 0.030 1
28 9 9 VAL HA H 3.826 0.030 1
29 9 9 VAL HB H 1.605 0.030 1
30 9 9 VAL HG1 H 0.858 0.030 1
31 9 9 VAL HG2 H 0.865 0.030 1
32 9 9 VAL C C 176.540 0.300 1
33 9 9 VAL CA C 64.888 0.300 1
34 9 9 VAL CB C 32.264 0.300 1
35 9 9 VAL CG1 C 20.995 0.300 2
36 9 9 VAL CG2 C 21.240 0.300 2
37 9 9 VAL N N 129.415 0.300 1
38 10 10 ARG H H 7.135 0.030 1
39 10 10 ARG HA H 4.126 0.030 1
40 10 10 ARG HB2 H 1.243 0.030 2
41 10 10 ARG HB3 H 0.745 0.030 2
42 10 10 ARG HD2 H 2.264 0.030 2
43 10 10 ARG HD3 H 1.008 0.030 2
44 10 10 ARG HE H 3.555 0.030 1
45 10 10 ARG HG2 H 0.025 0.030 2
46 10 10 ARG HG3 H 0.926 0.030 2
47 10 10 ARG C C 171.942 0.300 1
48 10 10 ARG CA C 55.800 0.300 1
49 10 10 ARG CB C 32.223 0.300 1
50 10 10 ARG CD C 42.709 0.300 1
51 10 10 ARG CG C 27.246 0.300 1
52 10 10 ARG N N 117.246 0.300 1
53 10 10 ARG NE N 81.233 0.300 1
54 11 11 GLY H H 8.390 0.030 1
55 11 11 GLY HA2 H 3.204 0.030 2
56 11 11 GLY HA3 H 5.336 0.030 2
57 11 11 GLY C C 172.895 0.300 1
58 11 11 GLY CA C 43.481 0.300 1
59 11 11 GLY N N 113.527 0.300 1
60 12 12 GLY H H 7.935 0.030 1
61 12 12 GLY C C 171.502 0.300 1
62 12 12 GLY CA C 46.093 0.300 1
63 13 13 TRP H H 8.904 0.030 1
64 13 13 TRP HA H 5.205 0.030 1
65 13 13 TRP HB2 H 3.175 0.030 2
66 13 13 TRP HB3 H 2.975 0.030 2
67 13 13 TRP HD1 H 7.615 0.030 1
68 13 13 TRP HE1 H 10.505 0.030 1
69 13 13 TRP HE3 H 7.303 0.030 1
70 13 13 TRP HH2 H 7.394 0.030 1
71 13 13 TRP HZ2 H 7.683 0.030 1
72 13 13 TRP HZ3 H 6.892 0.030 1
73 13 13 TRP C C 177.926 0.300 1
74 13 13 TRP CA C 57.846 0.300 1
75 13 13 TRP CB C 30.290 0.300 1
76 13 13 TRP CD1 C 127.566 0.300 1
77 13 13 TRP CE3 C 120.215 0.300 1
78 13 13 TRP CH2 C 124.642 0.300 1
79 13 13 TRP CZ2 C 114.580 0.300 1
80 13 13 TRP CZ3 C 121.818 0.300 1
81 13 13 TRP N N 121.758 0.300 1
82 13 13 TRP NE1 N 130.205 0.300 1
83 14 14 LEU H H 9.295 0.030 1
84 14 14 LEU HA H 4.683 0.030 1
85 14 14 LEU HB2 H 1.204 0.030 2
86 14 14 LEU HB3 H 0.856 0.030 2
87 14 14 LEU HD1 H -1.234 0.030 1
88 14 14 LEU HD2 H 0.625 0.030 1
89 14 14 LEU HG H 0.855 0.030 1
90 14 14 LEU C C 175.828 0.300 1
91 14 14 LEU CA C 54.670 0.300 1
92 14 14 LEU CB C 47.562 0.300 1
93 14 14 LEU CD1 C 23.245 0.300 2
94 14 14 LEU CD2 C 23.940 0.300 2
95 14 14 LEU CG C 26.342 0.300 1
96 14 14 LEU N N 123.447 0.300 1
97 15 15 TRP H H 8.655 0.030 1
98 15 15 TRP HA H 5.315 0.030 1
99 15 15 TRP HB2 H 3.355 0.030 2
100 15 15 TRP HB3 H 3.024 0.030 2
101 15 15 TRP HD1 H 6.965 0.030 1
102 15 15 TRP HE1 H 10.378 0.030 1
103 15 15 TRP HE3 H 7.419 0.030 1
104 15 15 TRP HH2 H 7.164 0.030 1
105 15 15 TRP HZ2 H 7.362 0.030 1
106 15 15 TRP HZ3 H 7.020 0.030 1
107 15 15 TRP C C 175.899 0.300 1
108 15 15 TRP CA C 57.159 0.300 1
109 15 15 TRP CB C 30.759 0.300 1
110 15 15 TRP CD1 C 126.485 0.300 1
111 15 15 TRP CE3 C 119.830 0.300 1
112 15 15 TRP CH2 C 124.593 0.300 1
113 15 15 TRP CZ2 C 114.289 0.300 1
114 15 15 TRP CZ3 C 121.766 0.300 1
115 15 15 TRP N N 119.571 0.300 1
116 15 15 TRP NE1 N 130.130 0.300 1
117 16 16 ARG H H 10.145 0.030 1
118 16 16 ARG HA H 5.495 0.030 1
119 16 16 ARG HB2 H 1.928 0.030 2
120 16 16 ARG HB3 H 1.563 0.030 2
121 16 16 ARG HD2 H 2.676 0.030 2
122 16 16 ARG HD3 H 2.043 0.030 2
123 16 16 ARG HE H 7.119 0.030 1
124 16 16 ARG HG2 H 1.336 0.030 1
125 16 16 ARG HG3 H 1.336 0.030 1
126 16 16 ARG C C 174.930 0.300 1
127 16 16 ARG CA C 54.334 0.300 1
128 16 16 ARG CB C 34.808 0.300 1
129 16 16 ARG CD C 42.503 0.300 1
130 16 16 ARG CG C 27.082 0.300 1
131 16 16 ARG N N 121.997 0.300 1
132 16 16 ARG NE N 84.530 0.300 1
133 17 17 GLN H H 8.233 0.030 1
134 17 17 GLN HA H 3.797 0.030 1
135 17 17 GLN HB2 H 1.377 0.030 2
136 17 17 GLN HB3 H -0.217 0.030 2
137 17 17 GLN HE21 H 5.888 0.030 2
138 17 17 GLN HE22 H 6.569 0.030 2
139 17 17 GLN HG2 H 1.111 0.030 2
140 17 17 GLN HG3 H 0.575 0.030 2
141 17 17 GLN C C 175.654 0.300 1
142 17 17 GLN CA C 55.446 0.300 1
143 17 17 GLN CB C 29.056 0.300 1
144 17 17 GLN CG C 34.073 0.300 1
145 17 17 GLN N N 128.414 0.300 1
146 17 17 GLN NE2 N 109.129 0.300 1
147 18 18 SER H H 8.635 0.030 1
148 18 18 SER HA H 4.575 0.030 1
149 18 18 SER HB2 H 4.055 0.030 2
150 18 18 SER HB3 H 3.915 0.030 2
151 18 18 SER C C 175.585 0.300 1
152 18 18 SER CA C 57.246 0.300 1
153 18 18 SER CB C 64.012 0.300 1
154 18 18 SER N N 122.600 0.300 1
155 20 20 ILE H H 7.976 0.030 1
156 20 20 ILE HA H 4.036 0.030 1
157 20 20 ILE HB H 1.875 0.030 1
158 20 20 ILE HD1 H 0.863 0.030 1
159 20 20 ILE HG12 H 1.195 0.030 2
160 20 20 ILE HG13 H 1.519 0.030 2
161 20 20 ILE HG2 H 0.896 0.030 1
162 20 20 ILE C C 176.929 0.300 1
163 20 20 ILE CA C 62.929 0.300 1
164 20 20 ILE CB C 37.912 0.300 1
165 20 20 ILE CD1 C 12.440 0.300 1
166 20 20 ILE CG1 C 27.845 0.300 1
167 20 20 ILE CG2 C 17.376 0.300 1
168 20 20 ILE N N 120.700 0.300 1
169 21 21 LEU H H 8.089 0.030 1
170 21 21 LEU HA H 4.159 0.030 1
171 21 21 LEU HB2 H 1.537 0.030 2
172 21 21 LEU HB3 H 1.614 0.030 2
173 21 21 LEU HD1 H 0.921 0.030 1
174 21 21 LEU HD2 H 0.865 0.030 1
175 21 21 LEU HG H 1.627 0.030 1
176 21 21 LEU C C 176.455 0.300 1
177 21 21 LEU CA C 55.287 0.300 1
178 21 21 LEU CB C 42.051 0.300 1
179 21 21 LEU CD1 C 25.215 0.300 2
180 21 21 LEU CD2 C 22.480 0.300 2
181 21 21 LEU CG C 27.164 0.300 1
182 21 21 LEU N N 119.540 0.300 1
183 22 22 ARG H H 7.687 0.030 1
184 22 22 ARG HA H 3.806 0.030 1
185 22 22 ARG HB2 H 1.415 0.030 2
186 22 22 ARG HB3 H 1.493 0.030 2
187 22 22 ARG HD2 H 3.119 0.030 1
188 22 22 ARG HD3 H 3.119 0.030 1
189 22 22 ARG HG2 H 1.746 0.030 2
190 22 22 ARG HG3 H 1.945 0.030 2
191 22 22 ARG C C 175.087 0.300 1
192 22 22 ARG CA C 56.788 0.300 1
193 22 22 ARG CB C 27.130 0.300 1
194 22 22 ARG CD C 43.532 0.300 1
195 22 22 ARG CG C 27.192 0.300 1
196 22 22 ARG N N 114.383 0.300 1
197 23 23 ARG H H 7.392 0.030 1
198 23 23 ARG HA H 4.603 0.030 1
199 23 23 ARG HB2 H 1.945 0.030 2
200 23 23 ARG HB3 H 1.738 0.030 2
201 23 23 ARG HD2 H 3.245 0.030 1
202 23 23 ARG HD3 H 3.245 0.030 1
203 23 23 ARG HG2 H 1.604 0.030 1
204 23 23 ARG HG3 H 1.604 0.030 1
205 23 23 ARG C C 176.112 0.300 1
206 23 23 ARG CA C 54.846 0.300 1
207 23 23 ARG CB C 32.387 0.300 1
208 23 23 ARG CD C 43.696 0.300 1
209 23 23 ARG CG C 26.871 0.300 1
210 23 23 ARG N N 115.846 0.300 1
211 24 24 TRP H H 9.013 0.030 1
212 24 24 TRP HA H 5.154 0.030 1
213 24 24 TRP HB2 H 3.265 0.030 2
214 24 24 TRP HB3 H 3.205 0.030 2
215 24 24 TRP HD1 H 7.314 0.030 1
216 24 24 TRP HE1 H 9.860 0.030 1
217 24 24 TRP HE3 H 7.445 0.030 1
218 24 24 TRP HH2 H 6.618 0.030 1
219 24 24 TRP HZ2 H 7.262 0.030 1
220 24 24 TRP HZ3 H 6.760 0.030 1
221 24 24 TRP C C 176.347 0.300 1
222 24 24 TRP CA C 57.546 0.300 1
223 24 24 TRP CB C 31.112 0.300 1
224 24 24 TRP CD1 C 127.910 0.300 1
225 24 24 TRP CE3 C 120.277 0.300 1
226 24 24 TRP CH2 C 123.212 0.300 1
227 24 24 TRP CZ2 C 115.734 0.300 1
228 24 24 TRP CZ3 C 123.086 0.300 1
229 24 24 TRP N N 123.861 0.300 1
230 24 24 TRP NE1 N 130.844 0.300 1
231 25 25 LYS H H 9.553 0.030 1
232 25 25 LYS HA H 4.992 0.030 1
233 25 25 LYS HB2 H 1.945 0.030 2
234 25 25 LYS HB3 H 1.885 0.030 2
235 25 25 LYS HD2 H 1.816 0.030 2
236 25 25 LYS HD3 H 1.754 0.030 2
237 25 25 LYS HE2 H 3.040 0.030 2
238 25 25 LYS HE3 H 3.113 0.030 2
239 25 25 LYS HG2 H 1.446 0.030 2
240 25 25 LYS HG3 H 1.564 0.030 2
241 25 25 LYS C C 173.887 0.300 1
242 25 25 LYS CA C 55.023 0.300 1
243 25 25 LYS CB C 35.965 0.300 1
244 25 25 LYS CD C 29.320 0.300 1
245 25 25 LYS CE C 41.805 0.300 1
246 25 25 LYS CG C 24.121 0.300 1
247 25 25 LYS N N 123.241 0.300 1
248 26 26 ARG H H 8.705 0.030 1
249 26 26 ARG HA H 4.494 0.030 1
250 26 26 ARG HB2 H 1.385 0.030 1
251 26 26 ARG HB3 H 1.385 0.030 1
252 26 26 ARG HD2 H 2.306 0.030 1
253 26 26 ARG HD3 H 2.306 0.030 1
254 26 26 ARG HG2 H 0.346 0.030 2
255 26 26 ARG HG3 H 0.775 0.030 2
256 26 26 ARG C C 175.755 0.300 1
257 26 26 ARG CA C 56.046 0.300 1
258 26 26 ARG CB C 30.783 0.300 1
259 26 26 ARG CD C 43.132 0.300 1
260 26 26 ARG CG C 27.753 0.300 1
261 26 26 ARG N N 124.843 0.300 1
262 27 27 ASN H H 9.100 0.030 1
263 27 27 ASN HA H 5.235 0.030 1
264 27 27 ASN HB2 H 2.731 0.030 2
265 27 27 ASN HB3 H 2.201 0.030 2
266 27 27 ASN HD21 H 7.555 0.030 2
267 27 27 ASN HD22 H 6.735 0.030 2
268 27 27 ASN CA C 54.041 0.300 1
269 27 27 ASN CB C 46.737 0.300 1
270 27 27 ASN N N 123.044 0.300 1
271 27 27 ASN ND2 N 107.626 0.300 1
272 28 28 TRP H H 7.835 0.030 1
273 28 28 TRP HA H 4.105 0.030 1
274 28 28 TRP HB2 H 2.365 0.030 2
275 28 28 TRP HH2 H 6.874 0.030 1
276 28 28 TRP HZ2 H 7.165 0.030 1
277 28 28 TRP CH2 C 124.050 0.300 1
278 28 28 TRP CZ2 C 113.414 0.300 1
279 28 28 TRP N N 122.540 0.300 1
280 29 29 PHE H H 8.755 0.030 1
281 29 29 PHE HA H 5.001 0.030 1
282 29 29 PHE HB2 H 2.153 0.030 2
283 29 29 PHE HB3 H 2.671 0.030 2
284 29 29 PHE HD1 H 6.897 0.030 1
285 29 29 PHE HD2 H 6.897 0.030 1
286 29 29 PHE HE1 H 6.745 0.030 1
287 29 29 PHE HE2 H 6.745 0.030 1
288 29 29 PHE HZ H 6.305 0.030 1
289 29 29 PHE CA C 56.692 0.300 1
290 29 29 PHE CB C 42.284 0.300 1
291 29 29 PHE CD1 C 131.506 0.300 1
292 29 29 PHE CD2 C 131.506 0.300 1
293 29 29 PHE CE1 C 130.668 0.300 1
294 29 29 PHE CE2 C 130.668 0.300 1
295 29 29 PHE CZ C 128.990 0.300 1
296 29 29 PHE N N 129.716 0.300 1
297 30 30 ALA H H 8.695 0.030 1
298 30 30 ALA HB H 0.385 0.030 1
299 30 30 ALA C C 173.958 0.300 1
300 30 30 ALA CA C 50.611 0.300 1
301 30 30 ALA CB C 22.570 0.300 1
302 31 31 LEU H H 8.815 0.030 1
303 31 31 LEU HA H 5.003 0.030 1
304 31 31 LEU HB2 H 1.888 0.030 2
305 31 31 LEU HB3 H 1.366 0.030 2
306 31 31 LEU HD1 H 0.941 0.030 1
307 31 31 LEU HD2 H 0.795 0.030 1
308 31 31 LEU HG H 1.453 0.030 1
309 31 31 LEU C C 174.414 0.300 1
310 31 31 LEU CA C 53.240 0.300 1
311 31 31 LEU CB C 44.783 0.300 1
312 31 31 LEU CD1 C 22.294 0.300 2
313 31 31 LEU CD2 C 27.246 0.300 2
314 31 31 LEU CG C 27.630 0.300 1
315 31 31 LEU N N 124.610 0.300 1
316 32 32 TRP H H 9.045 0.030 1
317 32 32 TRP HA H 5.499 0.030 1
318 32 32 TRP HB2 H 3.465 0.030 2
319 32 32 TRP HB3 H 3.605 0.030 2
320 32 32 TRP HD1 H 7.252 0.030 1
321 32 32 TRP HE1 H 9.618 0.030 1
322 32 32 TRP HE3 H 7.537 0.030 1
323 32 32 TRP HH2 H 7.014 0.030 1
324 32 32 TRP HZ2 H 7.124 0.030 1
325 32 32 TRP HZ3 H 6.973 0.030 1
326 32 32 TRP C C 178.871 0.300 1
327 32 32 TRP CA C 55.552 0.300 1
328 32 32 TRP CB C 32.346 0.300 1
329 32 32 TRP CD1 C 129.178 0.300 1
330 32 32 TRP CE3 C 120.822 0.300 1
331 32 32 TRP CH2 C 123.762 0.300 1
332 32 32 TRP CZ2 C 114.459 0.300 1
333 32 32 TRP CZ3 C 122.110 0.300 1
334 32 32 TRP N N 128.500 0.300 1
335 32 32 TRP NE1 N 126.324 0.300 1
336 33 33 LEU H H 9.246 0.030 1
337 33 33 LEU HA H 4.075 0.030 1
338 33 33 LEU HB2 H 1.775 0.030 2
339 33 33 LEU HB3 H 1.712 0.030 2
340 33 33 LEU HD1 H 0.918 0.030 1
341 33 33 LEU HD2 H 0.885 0.030 1
342 33 33 LEU HG H 1.685 0.030 1
343 33 33 LEU C C 176.859 0.300 1
344 33 33 LEU CA C 57.035 0.300 1
345 33 33 LEU CB C 42.651 0.300 1
346 33 33 LEU CD1 C 24.892 0.300 2
347 33 33 LEU CD2 C 24.395 0.300 2
348 33 33 LEU CG C 27.164 0.300 1
349 33 33 LEU N N 123.838 0.300 1
350 34 34 ASP H H 7.536 0.030 1
351 34 34 ASP HA H 4.395 0.030 1
352 34 34 ASP HB2 H 3.075 0.030 2
353 34 34 ASP HB3 H 2.564 0.030 2
354 34 34 ASP C C 177.113 0.300 1
355 34 34 ASP CA C 53.805 0.300 1
356 34 34 ASP CB C 39.625 0.300 1
357 34 34 ASP N N 115.948 0.300 1
358 35 35 GLY H H 8.264 0.030 1
359 35 35 GLY HA2 H 4.205 0.030 2
360 35 35 GLY HA3 H 3.895 0.030 2
361 35 35 GLY C C 173.898 0.300 1
362 35 35 GLY CA C 46.216 0.300 1
363 35 35 GLY N N 106.508 0.300 1
364 36 36 THR H H 8.035 0.030 1
365 36 36 THR HA H 5.123 0.030 1
366 36 36 THR HB H 4.044 0.030 1
367 36 36 THR HG2 H 1.083 0.030 1
368 36 36 THR C C 170.669 0.300 1
369 36 36 THR CA C 60.588 0.300 1
370 36 36 THR CB C 72.314 0.300 1
371 36 36 THR CG2 C 21.818 0.300 1
372 36 36 THR N N 112.047 0.300 1
373 37 37 LEU H H 9.344 0.030 1
374 37 37 LEU HA H 5.616 0.030 1
375 37 37 LEU HB2 H 2.035 0.030 2
376 37 37 LEU HB3 H 1.225 0.030 2
377 37 37 LEU HD1 H 1.036 0.030 1
378 37 37 LEU HD2 H 0.775 0.030 1
379 37 37 LEU HG H 1.515 0.030 1
380 37 37 LEU C C 175.787 0.300 1
381 37 37 LEU CA C 52.799 0.300 1
382 37 37 LEU CB C 46.698 0.300 1
383 37 37 LEU CD1 C 24.713 0.300 2
384 37 37 LEU CD2 C 25.308 0.300 2
385 37 37 LEU CG C 27.379 0.300 1
386 37 37 LEU N N 122.915 0.300 1
387 38 38 GLY H H 9.685 0.030 1
388 38 38 GLY HA2 H 5.074 0.030 2
389 38 38 GLY HA3 H 3.825 0.030 2
390 38 38 GLY C C 172.258 0.300 1
391 38 38 GLY CA C 43.676 0.300 1
392 38 38 GLY N N 113.092 0.300 1
393 39 39 TYR H H 7.362 0.030 1
394 39 39 TYR HA H 5.251 0.030 1
395 39 39 TYR HB2 H 1.612 0.030 2
396 39 39 TYR HB3 H 1.172 0.030 2
397 39 39 TYR HD1 H 6.263 0.030 1
398 39 39 TYR HD2 H 6.263 0.030 1
399 39 39 TYR HE1 H 6.395 0.030 1
400 39 39 TYR HE2 H 6.395 0.030 1
401 39 39 TYR C C 175.367 0.300 1
402 39 39 TYR CA C 54.282 0.300 1
403 39 39 TYR CB C 37.774 0.300 1
404 39 39 TYR CD1 C 133.669 0.300 1
405 39 39 TYR CD2 C 133.669 0.300 1
406 39 39 TYR CE1 C 117.161 0.300 1
407 39 39 TYR CE2 C 117.161 0.300 1
408 39 39 TYR N N 113.951 0.300 1
409 40 40 TYR H H 9.315 0.030 1
410 40 40 TYR HA H 5.305 0.030 1
411 40 40 TYR HB2 H 3.455 0.030 1
412 40 40 TYR HB3 H 3.455 0.030 1
413 40 40 TYR HD1 H 7.024 0.030 1
414 40 40 TYR HD2 H 7.024 0.030 1
415 40 40 TYR HE1 H 6.973 0.030 1
416 40 40 TYR HE2 H 6.973 0.030 1
417 40 40 TYR C C 177.694 0.300 1
418 40 40 TYR CA C 57.185 0.300 1
419 40 40 TYR CB C 43.779 0.300 1
420 40 40 TYR CD1 C 133.564 0.300 1
421 40 40 TYR CD2 C 133.564 0.300 1
422 40 40 TYR CE1 C 119.411 0.300 1
423 40 40 TYR CE2 C 119.411 0.300 1
424 40 40 TYR N N 117.930 0.300 1
425 41 41 HIS H H 8.658 0.030 1
426 41 41 HIS HA H 4.654 0.030 1
427 41 41 HIS HB2 H 3.435 0.030 1
428 41 41 HIS HB3 H 3.435 0.030 1
429 41 41 HIS HD2 H 7.122 0.030 1
430 41 41 HIS HE1 H 8.046 0.030 1
431 41 41 HIS C C 174.858 0.300 1
432 41 41 HIS CA C 59.159 0.300 1
433 41 41 HIS CB C 31.094 0.300 1
434 41 41 HIS CD2 C 119.957 0.300 1
435 41 41 HIS CE1 C 138.371 0.300 1
436 41 41 HIS N N 121.927 0.300 1
437 42 42 ASP H H 8.095 0.030 1
438 42 42 ASP HA H 4.795 0.030 1
439 42 42 ASP HB2 H 3.215 0.030 2
440 42 42 ASP HB3 H 2.995 0.030 2
441 42 42 ASP C C 175.052 0.300 1
442 42 42 ASP CA C 53.155 0.300 1
443 42 42 ASP CB C 41.860 0.300 1
444 42 42 ASP N N 112.020 0.300 1
445 43 43 GLU H H 8.899 0.030 1
446 43 43 GLU C C 176.336 0.300 1
447 43 43 GLU CA C 57.021 0.300 1
448 43 43 GLU CB C 27.493 0.300 1
449 43 43 GLU N N 116.402 0.300 1
450 44 44 THR H H 8.093 0.030 1
451 44 44 THR HA H 3.915 0.030 1
452 44 44 THR HB H 4.185 0.030 1
453 44 44 THR HG2 H 1.136 0.030 1
454 44 44 THR CA C 63.143 0.300 1
455 44 44 THR CB C 69.620 0.300 1
456 44 44 THR CG2 C 21.413 0.300 1
457 44 44 THR N N 111.376 0.300 1
458 45 45 ALA H H 7.815 0.030 1
459 45 45 ALA HA H 3.430 0.030 1
460 45 45 ALA HB H 0.854 0.030 1
461 45 45 ALA C C 175.091 0.300 1
462 45 45 ALA CA C 53.434 0.300 1
463 45 45 ALA CB C 15.567 0.300 1
464 46 46 GLN H H 7.869 0.030 1
465 46 46 GLN HA H 4.238 0.030 1
466 46 46 GLN HB2 H 2.083 0.030 2
467 46 46 GLN HB3 H 1.873 0.030 2
468 46 46 GLN HE21 H 7.465 0.030 2
469 46 46 GLN HE22 H 6.832 0.030 2
470 46 46 GLN HG2 H 2.290 0.030 2
471 46 46 GLN HG3 H 2.229 0.030 2
472 46 46 GLN C C 176.190 0.300 1
473 46 46 GLN CA C 56.929 0.300 1
474 46 46 GLN CB C 30.454 0.300 1
475 46 46 GLN CG C 34.302 0.300 1
476 46 46 GLN N N 115.953 0.300 1
477 46 46 GLN NE2 N 112.608 0.300 1
478 47 47 ASP H H 8.326 0.030 1
479 47 47 ASP HA H 4.954 0.030 1
480 47 47 ASP HB2 H 2.595 0.030 2
481 47 47 ASP HB3 H 2.475 0.030 2
482 47 47 ASP C C 173.846 0.300 1
483 47 47 ASP CA C 52.993 0.300 1
484 47 47 ASP CB C 41.558 0.300 1
485 47 47 ASP N N 119.830 0.300 1
486 48 48 GLU H H 8.756 0.030 1
487 48 48 GLU HA H 3.785 0.030 1
488 48 48 GLU HB2 H 2.015 0.030 1
489 48 48 GLU HB3 H 2.015 0.030 1
490 48 48 GLU HG2 H 1.456 0.030 1
491 48 48 GLU HG3 H 1.456 0.030 1
492 48 48 GLU C C 175.892 0.300 1
493 48 48 GLU CA C 56.470 0.300 1
494 48 48 GLU CB C 32.264 0.300 1
495 48 48 GLU CG C 37.445 0.300 1
496 48 48 GLU N N 125.923 0.300 1
497 49 49 GLU H H 8.945 0.030 1
498 49 49 GLU HA H 4.164 0.030 1
499 49 49 GLU HB2 H 1.751 0.030 2
500 49 49 GLU HB3 H 1.495 0.030 2
501 49 49 GLU HG2 H 2.116 0.030 1
502 49 49 GLU HG3 H 2.116 0.030 1
503 49 49 GLU C C 176.040 0.300 1
504 49 49 GLU CA C 58.447 0.300 1
505 49 49 GLU CB C 30.207 0.300 1
506 49 49 GLU CG C 36.623 0.300 1
507 49 49 GLU N N 129.751 0.300 1
508 50 50 ASP H H 6.736 0.030 1
509 50 50 ASP HA H 4.355 0.030 1
510 50 50 ASP HB2 H 2.385 0.030 2
511 50 50 ASP HB3 H 2.033 0.030 2
512 50 50 ASP C C 172.562 0.300 1
513 50 50 ASP CA C 52.729 0.300 1
514 50 50 ASP CB C 43.737 0.300 1
515 50 50 ASP N N 113.574 0.300 1
516 51 51 ARG H H 8.532 0.030 1
517 51 51 ARG HA H 5.005 0.030 1
518 51 51 ARG HB2 H 1.685 0.030 2
519 51 51 ARG HB3 H 1.533 0.030 2
520 51 51 ARG HD2 H 3.188 0.030 2
521 51 51 ARG HD3 H 3.084 0.030 2
522 51 51 ARG HE H 7.918 0.030 1
523 51 51 ARG HG2 H 1.435 0.030 2
524 51 51 ARG HG3 H 1.284 0.030 2
525 51 51 ARG C C 174.656 0.300 1
526 51 51 ARG CA C 55.605 0.300 1
527 51 51 ARG CB C 33.520 0.300 1
528 51 51 ARG CD C 44.060 0.300 1
529 51 51 ARG CG C 26.890 0.300 1
530 51 51 ARG N N 117.888 0.300 1
531 51 51 ARG NE N 84.317 0.300 1
532 52 52 VAL H H 9.155 0.030 1
533 52 52 VAL HA H 4.616 0.030 1
534 52 52 VAL HB H 2.156 0.030 1
535 52 52 VAL HG1 H 0.965 0.030 1
536 52 52 VAL HG2 H 0.985 0.030 1
537 52 52 VAL C C 174.710 0.300 1
538 52 52 VAL CA C 59.382 0.300 1
539 52 52 VAL CB C 35.266 0.300 1
540 52 52 VAL CG1 C 21.489 0.300 2
541 52 52 VAL CG2 C 20.008 0.300 2
542 52 52 VAL N N 121.629 0.300 1
543 53 53 VAL H H 8.956 0.030 1
544 53 53 VAL HA H 3.745 0.030 1
545 53 53 VAL HB H 2.025 0.030 1
546 53 53 VAL HG1 H 1.081 0.030 1
547 53 53 VAL HG2 H 1.025 0.030 1
548 53 53 VAL C C 174.610 0.300 1
549 53 53 VAL CA C 64.676 0.300 1
550 53 53 VAL CB C 32.305 0.300 1
551 53 53 VAL CG1 C 22.065 0.300 2
552 53 53 VAL CG2 C 22.020 0.300 2
553 53 53 VAL N N 125.547 0.300 1
554 54 54 ILE H H 8.705 0.030 1
555 54 54 ILE HA H 4.324 0.030 1
556 54 54 ILE HB H 1.875 0.030 1
557 54 54 ILE HD1 H 0.604 0.030 1
558 54 54 ILE HG12 H 1.114 0.030 2
559 54 54 ILE HG13 H 1.735 0.030 2
560 54 54 ILE HG2 H 0.859 0.030 1
561 54 54 ILE C C 176.747 0.300 1
562 54 54 ILE CA C 58.623 0.300 1
563 54 54 ILE CB C 36.787 0.300 1
564 54 54 ILE CD1 C 7.571 0.300 1
565 54 54 ILE CG1 C 27.658 0.300 1
566 54 54 ILE CG2 C 19.018 0.300 1
567 54 54 ILE N N 126.147 0.300 1
568 55 55 HIS H H 7.913 0.030 1
569 55 55 HIS HA H 4.626 0.030 1
570 55 55 HIS HB2 H 3.165 0.030 1
571 55 55 HIS HB3 H 3.165 0.030 1
572 55 55 HIS HD2 H 7.083 0.030 1
573 55 55 HIS HE1 H 7.755 0.030 1
574 55 55 HIS C C 174.365 0.300 1
575 55 55 HIS CA C 57.917 0.300 1
576 55 55 HIS CB C 29.796 0.300 1
577 55 55 HIS CD2 C 120.988 0.300 1
578 55 55 HIS CE1 C 136.650 0.300 1
579 55 55 HIS N N 119.790 0.300 1
580 56 56 PHE H H 9.382 0.030 1
581 56 56 PHE HA H 4.225 0.030 1
582 56 56 PHE HB2 H 3.439 0.030 2
583 56 56 PHE HB3 H 2.897 0.030 2
584 56 56 PHE HD1 H 7.068 0.030 1
585 56 56 PHE HD2 H 7.068 0.030 1
586 56 56 PHE HE1 H 7.248 0.030 1
587 56 56 PHE HE2 H 7.248 0.030 1
588 56 56 PHE HZ H 7.153 0.030 1
589 56 56 PHE C C 175.781 0.300 1
590 56 56 PHE CA C 57.593 0.300 1
591 56 56 PHE CB C 36.664 0.300 1
592 56 56 PHE CD1 C 130.940 0.300 1
593 56 56 PHE CD2 C 130.940 0.300 1
594 56 56 PHE CE1 C 131.110 0.300 1
595 56 56 PHE CE2 C 131.110 0.300 1
596 56 56 PHE CZ C 129.002 0.300 1
597 56 56 PHE N N 124.614 0.300 1
598 57 57 ASN H H 8.755 0.030 1
599 57 57 ASN HA H 5.319 0.030 1
600 57 57 ASN HB2 H 2.775 0.030 2
601 57 57 ASN HB3 H 2.133 0.030 2
602 57 57 ASN HD21 H 7.403 0.030 2
603 57 57 ASN HD22 H 8.472 0.030 2
604 57 57 ASN C C 175.317 0.300 1
605 57 57 ASN CA C 52.129 0.300 1
606 57 57 ASN CB C 41.640 0.300 1
607 57 57 ASN N N 114.893 0.300 1
608 57 57 ASN ND2 N 113.491 0.300 1
609 58 58 VAL H H 8.606 0.030 1
610 58 58 VAL HA H 4.138 0.030 1
611 58 58 VAL HB H 1.835 0.030 1
612 58 58 VAL HG1 H 0.727 0.030 1
613 58 58 VAL HG2 H 0.984 0.030 1
614 58 58 VAL C C 175.486 0.300 1
615 58 58 VAL CA C 63.035 0.300 1
616 58 58 VAL CB C 32.733 0.300 1
617 58 58 VAL CG1 C 22.540 0.300 2
618 58 58 VAL CG2 C 22.940 0.300 2
619 58 58 VAL N N 121.476 0.300 1
620 59 59 ARG H H 9.233 0.030 1
621 59 59 ARG HA H 4.184 0.030 1
622 59 59 ARG HB2 H 1.625 0.030 2
623 59 59 ARG HB3 H 1.323 0.030 2
624 59 59 ARG HD2 H 3.125 0.030 1
625 59 59 ARG HD3 H 3.125 0.030 1
626 59 59 ARG HG2 H 1.515 0.030 1
627 59 59 ARG HG3 H 1.515 0.030 1
628 59 59 ARG C C 175.572 0.300 1
629 59 59 ARG CA C 58.093 0.300 1
630 59 59 ARG CB C 31.236 0.300 1
631 59 59 ARG CD C 43.367 0.300 1
632 59 59 ARG CG C 27.246 0.300 1
633 59 59 ARG N N 128.965 0.300 1
634 60 60 ASP H H 7.745 0.030 1
635 60 60 ASP HA H 4.485 0.030 1
636 60 60 ASP HB2 H 2.885 0.030 2
637 60 60 ASP HB3 H 2.634 0.030 2
638 60 60 ASP C C 173.047 0.300 1
639 60 60 ASP CA C 53.911 0.300 1
640 60 60 ASP CB C 42.874 0.300 1
641 60 60 ASP N N 113.170 0.300 1
642 61 61 ILE H H 8.398 0.030 1
643 61 61 ILE HA H 5.055 0.030 1
644 61 61 ILE HB H 1.485 0.030 1
645 61 61 ILE HD1 H 0.898 0.030 1
646 61 61 ILE HG12 H 1.020 0.030 2
647 61 61 ILE HG13 H 1.697 0.030 2
648 61 61 ILE HG2 H 0.735 0.030 1
649 61 61 ILE C C 174.897 0.300 1
650 61 61 ILE CA C 60.511 0.300 1
651 61 61 ILE CB C 41.558 0.300 1
652 61 61 ILE CD1 C 16.108 0.300 1
653 61 61 ILE CG1 C 28.560 0.300 1
654 61 61 ILE CG2 C 17.605 0.300 1
655 61 61 ILE N N 118.375 0.300 1
656 62 62 LYS H H 8.619 0.030 1
657 62 62 LYS HA H 4.711 0.030 1
658 62 62 LYS HB2 H 1.676 0.030 1
659 62 62 LYS HB3 H 1.676 0.030 1
660 62 62 LYS HD2 H 1.571 0.030 2
661 62 62 LYS HD3 H 1.665 0.030 2
662 62 62 LYS HE2 H 2.941 0.030 1
663 62 62 LYS HE3 H 2.941 0.030 1
664 62 62 LYS HG2 H 1.315 0.030 2
665 62 62 LYS HG3 H 1.522 0.030 2
666 62 62 LYS C C 174.636 0.300 1
667 62 62 LYS CA C 53.947 0.300 1
668 62 62 LYS CB C 35.677 0.300 1
669 62 62 LYS CD C 28.809 0.300 1
670 62 62 LYS CE C 42.545 0.300 1
671 62 62 LYS CG C 24.927 0.300 1
672 62 62 LYS N N 128.701 0.300 1
673 63 63 VAL H H 8.946 0.030 1
674 63 63 VAL HA H 5.073 0.030 1
675 63 63 VAL HB H 1.836 0.030 1
676 63 63 VAL HG1 H 0.936 0.030 1
677 63 63 VAL HG2 H 0.895 0.030 1
678 63 63 VAL C C 177.772 0.300 1
679 63 63 VAL CA C 59.734 0.300 1
680 63 63 VAL CB C 36.210 0.300 1
681 63 63 VAL CG1 C 21.470 0.300 2
682 63 63 VAL CG2 C 22.394 0.300 2
683 63 63 VAL N N 120.053 0.300 1
684 64 64 GLY H H 9.804 0.030 1
685 64 64 GLY HA2 H 4.415 0.030 2
686 64 64 GLY HA3 H 3.906 0.030 2
687 64 64 GLY C C 176.864 0.300 1
688 64 64 GLY CA C 47.063 0.300 1
689 64 64 GLY N N 118.354 0.300 1
690 65 65 GLN H H 9.045 0.030 1
691 65 65 GLN HA H 3.944 0.030 1
692 65 65 GLN HB2 H 2.214 0.030 2
693 65 65 GLN HB3 H 2.052 0.030 2
694 65 65 GLN HE21 H 7.724 0.030 2
695 65 65 GLN HE22 H 6.901 0.030 2
696 65 65 GLN HG2 H 2.458 0.030 2
697 65 65 GLN HG3 H 2.436 0.030 2
698 65 65 GLN C C 176.698 0.300 1
699 65 65 GLN CA C 57.793 0.300 1
700 65 65 GLN CB C 27.822 0.300 1
701 65 65 GLN CG C 33.497 0.300 1
702 65 65 GLN N N 124.600 0.300 1
703 65 65 GLN NE2 N 112.681 0.300 1
704 66 66 GLU H H 7.886 0.030 1
705 66 66 GLU HA H 4.145 0.030 1
706 66 66 GLU HB2 H 2.195 0.030 2
707 66 66 GLU HB3 H 2.094 0.030 2
708 66 66 GLU HG2 H 2.525 0.030 2
709 66 66 GLU HG3 H 2.315 0.030 2
710 66 66 GLU C C 178.049 0.300 1
711 66 66 GLU CA C 57.564 0.300 1
712 66 66 GLU CB C 31.236 0.300 1
713 66 66 GLU CG C 36.623 0.300 1
714 66 66 GLU N N 116.486 0.300 1
715 67 67 CYS H H 8.015 0.030 1
716 67 67 CYS HA H 4.331 0.030 1
717 67 67 CYS HB2 H 2.677 0.030 2
718 67 67 CYS HB3 H 2.974 0.030 2
719 67 67 CYS C C 175.278 0.300 1
720 67 67 CYS CA C 58.817 0.300 1
721 67 67 CYS CB C 26.342 0.300 1
722 67 67 CYS N N 119.526 0.300 1
723 68 68 GLN H H 7.983 0.030 1
724 68 68 GLN HA H 4.199 0.030 1
725 68 68 GLN HB2 H 2.153 0.030 2
726 68 68 GLN HB3 H 1.904 0.030 2
727 68 68 GLN HE21 H 7.553 0.030 2
728 68 68 GLN HE22 H 6.797 0.030 2
729 68 68 GLN HG2 H 2.366 0.030 2
730 68 68 GLN HG3 H 2.312 0.030 2
731 68 68 GLN C C 175.866 0.300 1
732 68 68 GLN CA C 56.399 0.300 1
733 68 68 GLN CB C 29.837 0.300 1
734 68 68 GLN CG C 33.662 0.300 1
735 68 68 GLN N N 120.826 0.300 1
736 68 68 GLN NE2 N 112.521 0.300 1
737 69 69 ASP H H 8.755 0.030 1
738 69 69 ASP HA H 4.395 0.030 1
739 69 69 ASP HB2 H 2.764 0.030 2
740 69 69 ASP HB3 H 2.695 0.030 2
741 69 69 ASP C C 174.652 0.300 1
742 69 69 ASP CA C 54.546 0.300 1
743 69 69 ASP CB C 39.954 0.300 1
744 69 69 ASP N N 117.691 0.300 1
745 70 70 VAL H H 7.245 0.030 1
746 70 70 VAL HA H 4.173 0.030 1
747 70 70 VAL HB H 1.686 0.030 1
748 70 70 VAL HG1 H 0.595 0.030 1
749 70 70 VAL HG2 H 0.615 0.030 1
750 70 70 VAL C C 173.502 0.300 1
751 70 70 VAL CA C 60.502 0.300 1
752 70 70 VAL CB C 34.397 0.300 1
753 70 70 VAL CG1 C 20.510 0.300 2
754 70 70 VAL CG2 C 20.766 0.300 2
755 70 70 VAL N N 116.632 0.300 1
756 71 71 GLN H H 8.513 0.030 1
757 71 71 GLN HA H 4.758 0.030 1
758 71 71 GLN HB2 H 1.915 0.030 2
759 71 71 GLN HB3 H 2.086 0.030 2
760 71 71 GLN HE21 H 7.563 0.030 2
761 71 71 GLN HE22 H 6.853 0.030 2
762 71 71 GLN HG2 H 2.395 0.030 1
763 71 71 GLN HG3 H 2.395 0.030 1
764 71 71 GLN C C 173.404 0.300 1
765 71 71 GLN CA C 52.093 0.300 1
766 71 71 GLN CB C 29.467 0.300 1
767 71 71 GLN CG C 33.286 0.300 1
768 71 71 GLN N N 125.361 0.300 1
769 71 71 GLN NE2 N 113.017 0.300 1
770 72 72 PRO HA H 3.955 0.030 1
771 72 72 PRO HB2 H 1.484 0.030 2
772 72 72 PRO HB3 H 1.648 0.030 2
773 72 72 PRO HD2 H 3.600 0.030 1
774 72 72 PRO HD3 H 3.600 0.030 1
775 72 72 PRO HG2 H 1.748 0.030 2
776 72 72 PRO HG3 H 1.537 0.030 2
777 72 72 PRO CA C 61.219 0.300 1
778 72 72 PRO CB C 30.548 0.300 1
779 72 72 PRO CD C 50.217 0.300 1
780 72 72 PRO CG C 27.099 0.300 1
781 73 73 PRO HA H 3.584 0.030 1
782 73 73 PRO HB2 H 0.825 0.030 2
783 73 73 PRO HB3 H 0.308 0.030 2
784 73 73 PRO HD2 H 2.475 0.030 2
785 73 73 PRO HD3 H 0.935 0.030 2
786 73 73 PRO HG2 H -0.054 0.030 2
787 73 73 PRO HG3 H 0.174 0.030 2
788 73 73 PRO C C 175.005 0.300 1
789 73 73 PRO CA C 61.764 0.300 1
790 73 73 PRO CB C 30.080 0.300 1
791 73 73 PRO CD C 48.549 0.300 1
792 73 73 PRO CG C 25.460 0.300 1
793 74 74 GLU H H 8.066 0.030 1
794 74 74 GLU HA H 3.766 0.030 1
795 74 74 GLU HB2 H 1.825 0.030 2
796 74 74 GLU HB3 H 1.777 0.030 2
797 74 74 GLU HG2 H 2.166 0.030 1
798 74 74 GLU HG3 H 2.166 0.030 1
799 74 74 GLU C C 177.415 0.300 1
800 74 74 GLU CA C 58.005 0.300 1
801 74 74 GLU CB C 29.340 0.300 1
802 74 74 GLU CG C 35.965 0.300 1
803 74 74 GLU N N 120.425 0.300 1
804 75 75 GLY H H 8.576 0.030 1
805 75 75 GLY HA2 H 4.024 0.030 2
806 75 75 GLY HA3 H 3.568 0.030 2
807 75 75 GLY C C 174.093 0.300 1
808 75 75 GLY CA C 45.299 0.300 1
809 75 75 GLY N N 112.779 0.300 1
810 76 76 ARG H H 7.791 0.030 1
811 76 76 ARG HA H 4.444 0.030 1
812 76 76 ARG HB2 H 1.565 0.030 2
813 76 76 ARG HB3 H 1.315 0.030 2
814 76 76 ARG HD2 H 2.578 0.030 2
815 76 76 ARG HD3 H 2.294 0.030 2
816 76 76 ARG HE H 8.350 0.030 1
817 76 76 ARG HG2 H 1.197 0.030 2
818 76 76 ARG HG3 H 1.023 0.030 2
819 76 76 ARG C C 175.188 0.300 1
820 76 76 ARG CA C 54.617 0.300 1
821 76 76 ARG CB C 31.030 0.300 1
822 76 76 ARG CD C 42.134 0.300 1
823 76 76 ARG CG C 27.920 0.300 1
824 76 76 ARG N N 121.088 0.300 1
825 76 76 ARG NE N 86.430 0.300 1
826 77 77 SER H H 8.235 0.030 1
827 77 77 SER HA H 4.405 0.030 1
828 77 77 SER HB2 H 4.036 0.030 2
829 77 77 SER HB3 H 3.725 0.030 2
830 77 77 SER C C 176.069 0.300 1
831 77 77 SER CA C 56.805 0.300 1
832 77 77 SER CB C 64.136 0.300 1
833 77 77 SER N N 113.991 0.300 1
834 78 78 ARG H H 8.745 0.030 1
835 78 78 ARG HA H 3.774 0.030 1
836 78 78 ARG HB2 H 1.735 0.030 1
837 78 78 ARG HB3 H 1.735 0.030 1
838 78 78 ARG HD2 H 3.215 0.030 2
839 78 78 ARG HG2 H 1.413 0.030 2
840 78 78 ARG HG3 H 1.739 0.030 2
841 78 78 ARG C C 176.758 0.300 1
842 78 78 ARG CA C 58.341 0.300 1
843 78 78 ARG CB C 30.043 0.300 1
844 78 78 ARG CD C 43.121 0.300 1
845 78 78 ARG CG C 28.300 0.300 1
846 78 78 ARG N N 122.262 0.300 1
847 79 79 ASP H H 8.106 0.030 1
848 79 79 ASP HA H 4.175 0.030 1
849 79 79 ASP HB2 H 2.564 0.030 2
850 79 79 ASP HB3 H 2.496 0.030 2
851 79 79 ASP C C 175.579 0.300 1
852 79 79 ASP CA C 57.159 0.300 1
853 79 79 ASP CB C 40.900 0.300 1
854 79 79 ASP N N 115.963 0.300 1
855 80 80 GLY H H 7.305 0.030 1
856 80 80 GLY HA2 H 4.047 0.030 2
857 80 80 GLY HA3 H 3.387 0.030 2
858 80 80 GLY C C 174.263 0.300 1
859 80 80 GLY CA C 44.276 0.300 1
860 80 80 GLY N N 101.592 0.300 1
861 81 81 LEU H H 7.307 0.030 1
862 81 81 LEU HA H 4.494 0.030 1
863 81 81 LEU HB2 H 1.990 0.030 2
864 81 81 LEU HB3 H 1.655 0.030 2
865 81 81 LEU HD1 H 0.821 0.030 1
866 81 81 LEU HD2 H 0.898 0.030 1
867 81 81 LEU HG H 1.655 0.030 1
868 81 81 LEU C C 176.212 0.300 1
869 81 81 LEU CA C 56.346 0.300 1
870 81 81 LEU CB C 44.025 0.300 1
871 81 81 LEU CD1 C 23.874 0.300 2
872 81 81 LEU CD2 C 27.411 0.300 2
873 81 81 LEU CG C 27.620 0.300 1
874 81 81 LEU N N 121.062 0.300 1
875 82 82 LEU H H 8.286 0.030 1
876 82 82 LEU HA H 5.260 0.030 1
877 82 82 LEU HB2 H 1.422 0.030 1
878 82 82 LEU HB3 H 1.422 0.030 1
879 82 82 LEU HD1 H 0.743 0.030 1
880 82 82 LEU HD2 H 0.753 0.030 1
881 82 82 LEU HG H 1.525 0.030 1
882 82 82 LEU C C 175.122 0.300 1
883 82 82 LEU CA C 55.334 0.300 1
884 82 82 LEU CB C 46.064 0.300 1
885 82 82 LEU CD1 C 26.150 0.300 2
886 82 82 LEU CD2 C 25.910 0.300 2
887 82 82 LEU CG C 27.137 0.300 1
888 82 82 LEU N N 118.524 0.300 1
889 83 83 THR H H 9.095 0.030 1
890 83 83 THR HA H 5.305 0.030 1
891 83 83 THR HB H 3.876 0.030 1
892 83 83 THR HG2 H 0.985 0.030 1
893 83 83 THR C C 173.754 0.300 1
894 83 83 THR CA C 61.076 0.300 1
895 83 83 THR CB C 71.268 0.300 1
896 83 83 THR CG2 C 22.394 0.300 1
897 83 83 THR N N 120.894 0.300 1
898 84 84 VAL H H 9.175 0.030 1
899 84 84 VAL HA H 4.205 0.030 1
900 84 84 VAL HB H 2.125 0.030 1
901 84 84 VAL HG1 H 0.766 0.030 1
902 84 84 VAL HG2 H 0.688 0.030 1
903 84 84 VAL C C 173.741 0.300 1
904 84 84 VAL CA C 61.182 0.300 1
905 84 84 VAL CB C 32.921 0.300 1
906 84 84 VAL CG1 C 20.995 0.300 2
907 84 84 VAL CG2 C 20.161 0.300 2
908 84 84 VAL N N 127.342 0.300 1
909 85 85 ASN H H 8.597 0.030 1
910 85 85 ASN HA H 4.960 0.030 1
911 85 85 ASN HB2 H 2.955 0.030 2
912 85 85 ASN HB3 H 2.637 0.030 2
913 85 85 ASN HD21 H 6.704 0.030 2
914 85 85 ASN HD22 H 8.095 0.030 2
915 85 85 ASN C C 174.440 0.300 1
916 85 85 ASN CA C 52.870 0.300 1
917 85 85 ASN CB C 39.214 0.300 1
918 85 85 ASN N N 125.999 0.300 1
919 85 85 ASN ND2 N 114.057 0.300 1
920 86 86 LEU H H 8.283 0.030 1
921 86 86 LEU HA H 5.176 0.030 1
922 86 86 LEU HB2 H 1.615 0.030 1
923 86 86 LEU HB3 H 1.615 0.030 1
924 86 86 LEU HD1 H 0.883 0.030 1
925 86 86 LEU HD2 H 0.784 0.030 1
926 86 86 LEU HG H 1.570 0.030 1
927 86 86 LEU C C 178.644 0.300 1
928 86 86 LEU CA C 53.700 0.300 1
929 86 86 LEU CB C 42.298 0.300 1
930 86 86 LEU CD1 C 25.660 0.300 2
931 86 86 LEU CD2 C 23.134 0.300 2
932 86 86 LEU CG C 27.493 0.300 1
933 86 86 LEU N N 125.763 0.300 1
934 87 87 ARG H H 8.655 0.030 1
935 87 87 ARG HA H 3.905 0.030 1
936 87 87 ARG HB2 H 2.005 0.030 1
937 87 87 ARG HB3 H 2.005 0.030 1
938 87 87 ARG HD2 H 3.203 0.030 2
939 87 87 ARG HD3 H 3.125 0.030 2
940 87 87 ARG HG2 H 1.282 0.030 2
941 87 87 ARG HG3 H 1.475 0.030 2
942 87 87 ARG C C 177.223 0.300 1
943 87 87 ARG CA C 59.717 0.300 1
944 87 87 ARG CB C 29.280 0.300 1
945 87 87 ARG CD C 43.367 0.300 1
946 87 87 ARG CG C 28.850 0.300 1
947 87 87 ARG N N 123.105 0.300 1
948 88 88 GLU H H 8.525 0.030 1
949 88 88 GLU HA H 4.515 0.030 1
950 88 88 GLU HB2 H 2.097 0.030 1
951 88 88 GLU HB3 H 2.097 0.030 1
952 88 88 GLU HG2 H 2.235 0.030 1
953 88 88 GLU HG3 H 2.235 0.030 1
954 88 88 GLU C C 175.762 0.300 1
955 88 88 GLU CA C 55.852 0.300 1
956 88 88 GLU CB C 30.249 0.300 1
957 88 88 GLU CG C 36.047 0.300 1
958 88 88 GLU N N 117.722 0.300 1
959 89 89 GLY H H 8.063 0.030 1
960 89 89 GLY HA2 H 3.735 0.030 2
961 89 89 GLY HA3 H 4.536 0.030 2
962 89 89 GLY C C 173.864 0.300 1
963 89 89 GLY CA C 44.222 0.300 1
964 89 89 GLY N N 110.616 0.300 1
965 90 90 SER H H 8.094 0.030 1
966 90 90 SER HA H 4.484 0.030 1
967 90 90 SER HB2 H 3.874 0.030 2
968 90 90 SER HB3 H 3.844 0.030 2
969 90 90 SER C C 172.813 0.300 1
970 90 90 SER CA C 58.552 0.300 1
971 90 90 SER CB C 63.915 0.300 1
972 90 90 SER N N 116.620 0.300 1
973 91 91 ARG H H 8.285 0.030 1
974 91 91 ARG HA H 4.725 0.030 1
975 91 91 ARG HB2 H 1.595 0.030 2
976 91 91 ARG HB3 H 1.535 0.030 2
977 91 91 ARG HD2 H 3.011 0.030 2
978 91 91 ARG HD3 H 3.054 0.030 2
979 91 91 ARG HG2 H 1.275 0.030 1
980 91 91 ARG HG3 H 1.275 0.030 1
981 91 91 ARG C C 175.511 0.300 1
982 91 91 ARG CA C 55.870 0.300 1
983 91 91 ARG CB C 32.058 0.300 1
984 91 91 ARG CD C 44.108 0.300 1
985 91 91 ARG CG C 26.424 0.300 1
986 91 91 ARG N N 121.045 0.300 1
987 92 92 LEU H H 8.485 0.030 1
988 92 92 LEU HA H 4.555 0.030 1
989 92 92 LEU HB2 H 1.506 0.030 2
990 92 92 LEU HB3 H 1.314 0.030 2
991 92 92 LEU HD1 H 0.883 0.030 1
992 92 92 LEU HD2 H 0.836 0.030 1
993 92 92 LEU HG H 1.582 0.030 1
994 92 92 LEU C C 174.815 0.300 1
995 92 92 LEU CA C 53.629 0.300 1
996 92 92 LEU CB C 44.066 0.300 1
997 92 92 LEU CD1 C 25.566 0.300 2
998 92 92 LEU CD2 C 24.779 0.300 2
999 92 92 LEU CG C 27.137 0.300 1
1000 92 92 LEU N N 123.633 0.300 1
1001 93 93 HIS H H 8.871 0.030 1
1002 93 93 HIS HA H 5.135 0.030 1
1003 93 93 HIS HB2 H 2.749 0.030 1
1004 93 93 HIS HB3 H 2.749 0.030 1
1005 93 93 HIS HD2 H 6.875 0.030 1
1006 93 93 HIS HE1 H 7.645 0.030 1
1007 93 93 HIS C C 173.251 0.300 1
1008 93 93 HIS CA C 56.135 0.300 1
1009 93 93 HIS CB C 30.701 0.300 1
1010 93 93 HIS CE1 C 138.089 0.300 1
1011 93 93 HIS N N 124.492 0.300 1
1012 94 94 LEU H H 9.105 0.030 1
1013 94 94 LEU HA H 5.940 0.030 1
1014 94 94 LEU HB2 H 1.848 0.030 2
1015 94 94 LEU HB3 H 1.129 0.030 2
1016 94 94 LEU HD1 H 0.142 0.030 1
1017 94 94 LEU HD2 H 0.585 0.030 1
1018 94 94 LEU HG H 1.355 0.030 1
1019 94 94 LEU C C 177.396 0.300 1
1020 94 94 LEU CA C 52.552 0.300 1
1021 94 94 LEU CB C 45.465 0.300 1
1022 94 94 LEU CD1 C 23.710 0.300 2
1023 94 94 LEU CD2 C 24.650 0.300 2
1024 94 94 LEU CG C 27.164 0.300 1
1025 94 94 LEU N N 122.911 0.300 1
1026 95 95 CYS H H 8.953 0.030 1
1027 95 95 CYS HA H 4.863 0.030 1
1028 95 95 CYS HB2 H 2.272 0.030 2
1029 95 95 CYS HB3 H 1.905 0.030 2
1030 95 95 CYS C C 172.585 0.300 1
1031 95 95 CYS CA C 59.964 0.300 1
1032 95 95 CYS CB C 29.220 0.300 1
1033 95 95 CYS N N 118.920 0.300 1
1034 96 96 ALA H H 9.465 0.030 1
1035 96 96 ALA HA H 5.035 0.030 1
1036 96 96 ALA HB H 1.710 0.030 1
1037 96 96 ALA C C 177.396 0.300 1
1038 96 96 ALA CA C 50.205 0.300 1
1039 96 96 ALA CB C 21.571 0.300 1
1040 96 96 ALA N N 132.924 0.300 1
1041 97 97 GLU H H 9.636 0.030 1
1042 97 97 GLU HA H 4.344 0.030 1
1043 97 97 GLU HB2 H 2.345 0.030 2
1044 97 97 GLU HB3 H 2.097 0.030 2
1045 97 97 GLU HG2 H 2.603 0.030 2
1046 97 97 GLU HG3 H 2.496 0.030 2
1047 97 97 GLU C C 176.882 0.300 1
1048 97 97 GLU CA C 58.040 0.300 1
1049 97 97 GLU CB C 30.207 0.300 1
1050 97 97 GLU CG C 35.718 0.300 1
1051 97 97 GLU N N 116.636 0.300 1
1052 98 98 THR H H 7.155 0.030 1
1053 98 98 THR HA H 4.684 0.030 1
1054 98 98 THR HB H 4.580 0.030 1
1055 98 98 THR HG2 H 1.257 0.030 1
1056 98 98 THR C C 174.259 0.300 1
1057 98 98 THR CA C 58.323 0.300 1
1058 98 98 THR CB C 73.529 0.300 1
1059 98 98 THR CG2 C 22.107 0.300 1
1060 98 98 THR N N 102.167 0.300 1
1061 99 99 ARG H H 9.025 0.030 1
1062 99 99 ARG HA H 4.056 0.030 1
1063 99 99 ARG HB2 H 1.765 0.030 1
1064 99 99 ARG HB3 H 1.765 0.030 1
1065 99 99 ARG HD2 H 3.245 0.030 2
1066 99 99 ARG HD3 H 3.193 0.030 2
1067 99 99 ARG HG2 H 1.775 0.030 2
1068 99 99 ARG HG3 H 1.535 0.030 2
1069 99 99 ARG C C 177.995 0.300 1
1070 99 99 ARG CA C 59.029 0.300 1
1071 99 99 ARG CB C 30.208 0.300 1
1072 99 99 ARG CD C 43.470 0.300 1
1073 99 99 ARG CG C 27.164 0.300 1
1074 99 99 ARG N N 122.747 0.300 1
1075 100 100 ASP H H 8.387 0.030 1
1076 100 100 ASP HA H 4.306 0.030 1
1077 100 100 ASP HB2 H 2.635 0.030 2
1078 100 100 ASP HB3 H 2.546 0.030 2
1079 100 100 ASP C C 179.110 0.300 1
1080 100 100 ASP CA C 57.475 0.300 1
1081 100 100 ASP CB C 40.201 0.300 1
1082 100 100 ASP N N 116.422 0.300 1
1083 101 101 ASP H H 8.046 0.030 1
1084 101 101 ASP HA H 4.576 0.030 1
1085 101 101 ASP HB2 H 2.804 0.030 2
1086 101 101 ASP HB3 H 2.735 0.030 2
1087 101 101 ASP C C 177.751 0.300 1
1088 101 101 ASP CA C 57.229 0.300 1
1089 101 101 ASP CB C 42.093 0.300 1
1090 101 101 ASP N N 120.742 0.300 1
1091 102 102 ALA H H 7.674 0.030 1
1092 102 102 ALA HA H 4.084 0.030 1
1093 102 102 ALA HB H 1.635 0.030 1
1094 102 102 ALA C C 179.609 0.300 1
1095 102 102 ALA CA C 56.364 0.300 1
1096 102 102 ALA CB C 17.952 0.300 1
1097 102 102 ALA N N 122.523 0.300 1
1098 103 103 ILE H H 8.499 0.030 1
1099 103 103 ILE HA H 3.681 0.030 1
1100 103 103 ILE HB H 2.005 0.030 1
1101 103 103 ILE HD1 H 0.855 0.030 1
1102 103 103 ILE HG12 H 1.346 0.030 2
1103 103 103 ILE HG13 H 1.727 0.030 2
1104 103 103 ILE HG2 H 0.914 0.030 1
1105 103 103 ILE C C 178.622 0.300 1
1106 103 103 ILE CA C 64.182 0.300 1
1107 103 103 ILE CB C 37.240 0.300 1
1108 103 103 ILE CD1 C 12.277 0.300 1
1109 103 103 ILE CG1 C 28.850 0.300 1
1110 103 103 ILE CG2 C 17.070 0.300 1
1111 103 103 ILE N N 117.417 0.300 1
1112 104 104 ALA H H 8.174 0.030 1
1113 104 104 ALA HA H 4.095 0.030 1
1114 104 104 ALA HB H 1.406 0.030 1
1115 104 104 ALA C C 181.998 0.300 1
1116 104 104 ALA CA C 55.517 0.300 1
1117 104 104 ALA CB C 17.294 0.300 1
1118 104 104 ALA N N 124.916 0.300 1
1119 105 105 TRP H H 8.365 0.030 1
1120 105 105 TRP HA H 4.025 0.030 1
1121 105 105 TRP HB2 H 3.325 0.030 2
1122 105 105 TRP HB3 H 2.816 0.030 2
1123 105 105 TRP HD1 H 7.195 0.030 1
1124 105 105 TRP HE1 H 10.975 0.030 1
1125 105 105 TRP HE3 H 7.205 0.030 1
1126 105 105 TRP HH2 H 6.620 0.030 1
1127 105 105 TRP HZ2 H 6.776 0.030 1
1128 105 105 TRP HZ3 H 6.683 0.030 1
1129 105 105 TRP C C 177.969 0.300 1
1130 105 105 TRP CA C 62.011 0.300 1
1131 105 105 TRP CB C 29.179 0.300 1
1132 105 105 TRP CD1 C 127.185 0.300 1
1133 105 105 TRP CE3 C 118.375 0.300 1
1134 105 105 TRP CH2 C 125.168 0.300 1
1135 105 105 TRP CZ2 C 114.556 0.300 1
1136 105 105 TRP CZ3 C 121.511 0.300 1
1137 105 105 TRP N N 119.726 0.300 1
1138 105 105 TRP NE1 N 130.418 0.300 1
1139 106 106 LYS H H 8.746 0.030 1
1140 106 106 LYS HA H 3.805 0.030 1
1141 106 106 LYS HB2 H 2.195 0.030 2
1142 106 106 LYS HB3 H 1.716 0.030 2
1143 106 106 LYS HD2 H 1.619 0.030 2
1144 106 106 LYS HD3 H 1.455 0.030 2
1145 106 106 LYS HE2 H 2.936 0.030 1
1146 106 106 LYS HE3 H 2.936 0.030 1
1147 106 106 LYS HG2 H 1.284 0.030 2
1148 106 106 LYS HG3 H 1.200 0.030 2
1149 106 106 LYS C C 177.626 0.300 1
1150 106 106 LYS CA C 60.865 0.300 1
1151 106 106 LYS CB C 31.606 0.300 1
1152 106 106 LYS CD C 30.080 0.300 1
1153 106 106 LYS CE C 42.298 0.300 1
1154 106 106 LYS CG C 25.601 0.300 1
1155 106 106 LYS N N 120.565 0.300 1
1156 107 107 THR H H 8.714 0.030 1
1157 107 107 THR HA H 3.774 0.030 1
1158 107 107 THR HB H 4.200 0.030 1
1159 107 107 THR HG2 H 1.193 0.030 1
1160 107 107 THR C C 176.238 0.300 1
1161 107 107 THR CA C 66.688 0.300 1
1162 107 107 THR CB C 69.065 0.300 1
1163 107 107 THR CG2 C 21.324 0.300 1
1164 107 107 THR N N 115.018 0.300 1
1165 108 108 ALA H H 7.769 0.030 1
1166 108 108 ALA HA H 4.094 0.030 1
1167 108 108 ALA HB H 1.176 0.030 1
1168 108 108 ALA C C 180.611 0.300 1
1169 108 108 ALA CA C 55.005 0.300 1
1170 108 108 ALA CB C 18.015 0.300 1
1171 108 108 ALA N N 123.150 0.300 1
1172 109 109 LEU H H 8.795 0.030 1
1173 109 109 LEU HA H 4.045 0.030 1
1174 109 109 LEU HB2 H 2.076 0.030 2
1175 109 109 LEU HB3 H 1.135 0.030 2
1176 109 109 LEU HD1 H 0.766 0.030 1
1177 109 109 LEU HD2 H 1.033 0.030 1
1178 109 109 LEU HG H 2.265 0.030 1
1179 109 109 LEU C C 178.758 0.300 1
1180 109 109 LEU CA C 58.093 0.300 1
1181 109 109 LEU CB C 42.298 0.300 1
1182 109 109 LEU CD1 C 25.601 0.300 2
1183 109 109 LEU CD2 C 24.395 0.300 2
1184 109 109 LEU CG C 27.411 0.300 1
1185 109 109 LEU N N 118.714 0.300 1
1186 110 110 MET H H 8.582 0.030 1
1187 110 110 MET HA H 4.404 0.030 1
1188 110 110 MET HB2 H 2.245 0.030 2
1189 110 110 MET HB3 H 2.135 0.030 2
1190 110 110 MET HE H 2.074 0.030 1
1191 110 110 MET HG2 H 2.764 0.030 1
1192 110 110 MET HG3 H 2.764 0.030 1
1193 110 110 MET C C 180.290 0.300 1
1194 110 110 MET CA C 56.876 0.300 1
1195 110 110 MET CB C 30.002 0.300 1
1196 110 110 MET CE C 15.638 0.300 1
1197 110 110 MET CG C 32.017 0.300 1
1198 110 110 MET N N 117.122 0.300 1
1199 111 111 GLU H H 8.062 0.030 1
1200 111 111 GLU HA H 4.126 0.030 1
1201 111 111 GLU HB2 H 2.125 0.030 2
1202 111 111 GLU HB3 H 2.055 0.030 2
1203 111 111 GLU HG2 H 2.386 0.030 2
1204 111 111 GLU HG3 H 2.215 0.030 2
1205 111 111 GLU C C 179.237 0.300 1
1206 111 111 GLU CA C 59.435 0.300 1
1207 111 111 GLU CB C 29.015 0.300 1
1208 111 111 GLU CG C 36.376 0.300 1
1209 111 111 GLU N N 121.532 0.300 1
1210 112 112 ALA H H 7.975 0.030 1
1211 112 112 ALA HA H 4.265 0.030 1
1212 112 112 ALA HB H 1.583 0.030 1
1213 112 112 ALA C C 179.608 0.300 1
1214 112 112 ALA CA C 54.158 0.300 1
1215 112 112 ALA CB C 19.530 0.300 1
1216 112 112 ALA N N 121.838 0.300 1
1217 113 113 ASN H H 8.115 0.030 1
1218 113 113 ASN HA H 4.822 0.030 1
1219 113 113 ASN HB2 H 3.162 0.030 2
1220 113 113 ASN HB3 H 2.709 0.030 2
1221 113 113 ASN HD21 H 6.623 0.030 2
1222 113 113 ASN HD22 H 7.775 0.030 2
1223 113 113 ASN C C 176.296 0.300 1
1224 113 113 ASN CA C 56.311 0.300 1
1225 113 113 ASN CB C 40.283 0.300 1
1226 113 113 ASN N N 115.563 0.300 1
1227 113 113 ASN ND2 N 115.614 0.300 1
1228 114 114 SER H H 7.365 0.030 1
1229 114 114 SER HA H 4.545 0.030 1
1230 114 114 SER HB2 H 4.025 0.030 1
1231 114 114 SER HB3 H 4.025 0.030 1
1232 114 114 SER C C 174.126 0.300 1
1233 114 114 SER CA C 58.464 0.300 1
1234 114 114 SER CB C 64.400 0.300 1
1235 114 114 SER N N 108.652 0.300 1
1236 115 115 THR H H 7.849 0.030 1
1237 115 115 THR HA H 4.599 0.030 1
1238 115 115 THR HB H 4.098 0.030 1
1239 115 115 THR HG2 H 1.283 0.030 1
1240 115 115 THR C C 172.337 0.300 1
1241 115 115 THR CA C 60.817 0.300 1
1242 115 115 THR CB C 70.016 0.300 1
1243 115 115 THR CG2 C 21.155 0.300 1
1244 115 115 THR N N 118.885 0.300 1
1245 116 116 PRO HA H 4.404 0.030 1
1246 116 116 PRO HB2 H 2.275 0.030 2
1247 116 116 PRO HB3 H 1.894 0.030 2
1248 116 116 PRO HD2 H 3.745 0.030 2
1249 116 116 PRO HD3 H 3.985 0.030 2
1250 116 116 PRO HG2 H 2.035 0.030 2
1251 116 116 PRO HG3 H 1.984 0.030 2
1252 116 116 PRO CA C 63.007 0.300 1
1253 116 116 PRO CB C 32.346 0.300 1
1254 116 116 PRO CD C 51.246 0.300 1
1255 116 116 PRO CG C 27.493 0.300 1
1256 117 117 ALA H H 8.429 0.030 1
1257 117 117 ALA HA H 4.535 0.030 1
1258 117 117 ALA HB H 1.335 0.030 1
1259 117 117 ALA CA C 50.359 0.300 1
1260 117 117 ALA CB C 18.069 0.300 1
1261 117 117 ALA N N 125.693 0.300 1
1262 118 118 PRO HA H 4.377 0.030 1
1263 118 118 PRO HB2 H 2.268 0.030 2
1264 118 118 PRO HB3 H 1.935 0.030 2
1265 118 118 PRO HD2 H 3.765 0.030 2
1266 118 118 PRO HD3 H 3.627 0.030 2
1267 118 118 PRO HG2 H 2.016 0.030 2
1268 118 118 PRO HG3 H 1.985 0.030 2
1269 118 118 PRO C C 176.656 0.300 1
1270 118 118 PRO CA C 63.105 0.300 1
1271 118 118 PRO CB C 31.935 0.300 1
1272 118 118 PRO CD C 50.468 0.300 1
1273 118 118 PRO CG C 27.379 0.300 1
1274 119 119 ALA H H 8.430 0.030 1
1275 119 119 ALA HA H 4.255 0.030 1
1276 119 119 ALA HB H 1.364 0.030 1
1277 119 119 ALA C C 178.416 0.300 1
1278 119 119 ALA CA C 52.744 0.300 1
1279 119 119 ALA CB C 19.186 0.300 1
1280 119 119 ALA N N 124.565 0.300 1
1281 120 120 GLY H H 8.375 0.030 1
1282 120 120 GLY HA2 H 3.934 0.030 1
1283 120 120 GLY HA3 H 3.934 0.030 1
1284 120 120 GLY C C 173.810 0.300 1
1285 120 120 GLY CA C 45.176 0.300 1
1286 120 120 GLY N N 108.353 0.300 1
1287 121 121 ALA H H 8.116 0.030 1
1288 121 121 ALA HA H 4.379 0.030 1
1289 121 121 ALA HB H 1.350 0.030 1
1290 121 121 ALA C C 177.908 0.300 1
1291 121 121 ALA CA C 52.446 0.300 1
1292 121 121 ALA CB C 19.433 0.300 1
1293 121 121 ALA N N 123.561 0.300 1
1294 122 122 THR H H 8.212 0.030 1
1295 122 122 THR C C 174.317 0.300 1
1296 122 122 THR CA C 61.888 0.300 1
1297 122 122 THR CB C 69.648 0.300 1
1298 122 122 THR CG2 C 21.653 0.300 1
1299 122 122 THR N N 114.319 0.300 1
1300 123 123 VAL H H 8.222 0.030 1
1301 123 123 VAL HA H 4.455 0.030 1
1302 123 123 VAL HB H 2.086 0.030 1
1303 123 123 VAL HG1 H 0.930 0.030 1
1304 123 123 VAL HG2 H 0.972 0.030 1
1305 123 123 VAL C C 174.373 0.300 1
1306 123 123 VAL CA C 59.717 0.300 1
1307 123 123 VAL CB C 32.593 0.300 1
1308 123 123 VAL CG1 C 20.175 0.300 2
1309 123 123 VAL CG2 C 20.988 0.300 2
1310 123 123 VAL N N 124.311 0.300 1
1311 124 124 PRO HA H 4.403 0.030 1
1312 124 124 PRO HB2 H 2.265 0.030 2
1313 124 124 PRO HB3 H 1.917 0.030 2
1314 124 124 PRO HD2 H 3.695 0.030 2
1315 124 124 PRO HD3 H 3.875 0.030 2
1316 124 124 PRO C C 176.873 0.300 1
1317 124 124 PRO CA C 63.211 0.300 1
1318 124 124 PRO CB C 32.017 0.300 1
1319 124 124 PRO CD C 51.099 0.300 1
1320 124 124 PRO CG C 27.329 0.300 1
1321 125 125 SER H H 8.426 0.030 1
1322 125 125 SER HA H 4.448 0.030 1
1323 125 125 SER HB2 H 3.854 0.030 1
1324 125 125 SER HB3 H 3.854 0.030 1
1325 125 125 SER C C 174.598 0.300 1
1326 125 125 SER CA C 58.341 0.300 1
1327 125 125 SER CB C 64.054 0.300 1
1328 125 125 SER N N 116.463 0.300 1
1329 126 126 GLY H H 8.233 0.030 1
1330 126 126 GLY C C 171.756 0.300 1
1331 126 126 GLY CA C 44.611 0.300 1
1332 126 126 GLY N N 110.662 0.300 1
stop_
save_