data_10265
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein
phosphatase F
;
_BMRB_accession_number 10265
_BMRB_flat_file_name bmr10265.str
_Entry_type new
_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 Sato M. . .
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" 671
"13C chemical shifts" 511
"15N chemical shifts" 122
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-12-14 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein
phosphatase F
;
_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 Sato M. . .
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 'Protein tyrosine phosphatase, receptor type, F'
_Enzyme_commission_number E.C.3.1.3.48
loop_
_Mol_system_component_name
_Mol_label
'Fibronectin type III 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 'Fibronectin type III domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 134
_Mol_residue_sequence
;
GSSGSSGTIEARTAQSTPSA
PPQKVMCVSMGSTTVRVSWV
PPPADSRNGVITQYSVAYEA
VDGEDRGRHVVDGISREHSS
WDLVGLEKWTEYRVWVRAHT
DVGPGPESSPVLVRTDEDVP
SGPPRKVESGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 THR 9 ILE 10 GLU
11 ALA 12 ARG 13 THR 14 ALA 15 GLN
16 SER 17 THR 18 PRO 19 SER 20 ALA
21 PRO 22 PRO 23 GLN 24 LYS 25 VAL
26 MET 27 CYS 28 VAL 29 SER 30 MET
31 GLY 32 SER 33 THR 34 THR 35 VAL
36 ARG 37 VAL 38 SER 39 TRP 40 VAL
41 PRO 42 PRO 43 PRO 44 ALA 45 ASP
46 SER 47 ARG 48 ASN 49 GLY 50 VAL
51 ILE 52 THR 53 GLN 54 TYR 55 SER
56 VAL 57 ALA 58 TYR 59 GLU 60 ALA
61 VAL 62 ASP 63 GLY 64 GLU 65 ASP
66 ARG 67 GLY 68 ARG 69 HIS 70 VAL
71 VAL 72 ASP 73 GLY 74 ILE 75 SER
76 ARG 77 GLU 78 HIS 79 SER 80 SER
81 TRP 82 ASP 83 LEU 84 VAL 85 GLY
86 LEU 87 GLU 88 LYS 89 TRP 90 THR
91 GLU 92 TYR 93 ARG 94 VAL 95 TRP
96 VAL 97 ARG 98 ALA 99 HIS 100 THR
101 ASP 102 VAL 103 GLY 104 PRO 105 GLY
106 PRO 107 GLU 108 SER 109 SER 110 PRO
111 VAL 112 LEU 113 VAL 114 ARG 115 THR
116 ASP 117 GLU 118 ASP 119 VAL 120 PRO
121 SER 122 GLY 123 PRO 124 PRO 125 ARG
126 LYS 127 VAL 128 GLU 129 SER 130 GLY
131 PRO 132 SER 133 SER 134 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-23
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 2EDX "Solution Structures Of The Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F" 100.00 134 100.00 100.00 1.99e-87
PDB 4N5U "Crystal Structure Of The 4th Fn3 Domain Of Human Protein Tyrosine Phosphatase, Receptor Type F [psi-nysgrc-006240]" 78.36 117 100.00 100.00 7.66e-68
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 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P051003-06
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 0.7 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 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 0.932
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
'structure solution'
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 700
_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_
#######################
# 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 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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 'Fibronectin type III 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 4.489 0.030 1
2 6 6 SER HB2 H 3.905 0.030 2
3 6 6 SER C C 175.028 0.300 1
4 6 6 SER CA C 58.777 0.300 1
5 6 6 SER CB C 63.463 0.300 1
6 7 7 GLY H H 8.285 0.030 1
7 7 7 GLY HA2 H 3.983 0.030 1
8 7 7 GLY HA3 H 3.983 0.030 1
9 7 7 GLY C C 174.254 0.300 1
10 7 7 GLY CA C 45.378 0.300 1
11 7 7 GLY N N 110.747 0.300 1
12 8 8 THR H H 8.029 0.030 1
13 8 8 THR HA H 4.325 0.030 1
14 8 8 THR HB H 4.164 0.030 1
15 8 8 THR HG2 H 1.180 0.030 1
16 8 8 THR C C 174.656 0.300 1
17 8 8 THR CA C 61.863 0.300 1
18 8 8 THR CB C 69.955 0.300 1
19 8 8 THR CG2 C 21.610 0.300 1
20 8 8 THR N N 114.277 0.300 1
21 9 9 ILE H H 8.254 0.030 1
22 9 9 ILE HA H 4.103 0.030 1
23 9 9 ILE HB H 1.818 0.030 1
24 9 9 ILE HD1 H 0.821 0.030 1
25 9 9 ILE HG12 H 1.440 0.030 2
26 9 9 ILE HG13 H 1.155 0.030 2
27 9 9 ILE HG2 H 0.861 0.030 1
28 9 9 ILE C C 176.366 0.300 1
29 9 9 ILE CA C 61.353 0.300 1
30 9 9 ILE CB C 38.587 0.300 1
31 9 9 ILE CD1 C 12.837 0.300 1
32 9 9 ILE CG1 C 27.391 0.300 1
33 9 9 ILE CG2 C 17.422 0.300 1
34 9 9 ILE N N 123.587 0.300 1
35 10 10 GLU H H 8.505 0.030 1
36 10 10 GLU HA H 4.194 0.030 1
37 10 10 GLU HB2 H 1.965 0.030 2
38 10 10 GLU HB3 H 1.899 0.030 2
39 10 10 GLU HG2 H 2.257 0.030 2
40 10 10 GLU HG3 H 2.234 0.030 2
41 10 10 GLU C C 176.199 0.300 1
42 10 10 GLU CA C 56.767 0.300 1
43 10 10 GLU CB C 30.157 0.300 1
44 10 10 GLU CG C 36.430 0.300 1
45 10 10 GLU N N 125.414 0.300 1
46 11 11 ALA H H 8.292 0.030 1
47 11 11 ALA HA H 4.260 0.030 1
48 11 11 ALA HB H 1.348 0.030 1
49 11 11 ALA C C 177.792 0.300 1
50 11 11 ALA CA C 52.622 0.300 1
51 11 11 ALA CB C 19.131 0.300 1
52 11 11 ALA N N 125.589 0.300 1
53 12 12 ARG H H 8.310 0.030 1
54 12 12 ARG HA H 4.346 0.030 1
55 12 12 ARG HB2 H 1.842 0.030 2
56 12 12 ARG HB3 H 1.759 0.030 2
57 12 12 ARG HD2 H 3.165 0.030 1
58 12 12 ARG HD3 H 3.165 0.030 1
59 12 12 ARG HG2 H 1.608 0.030 1
60 12 12 ARG HG3 H 1.608 0.030 1
61 12 12 ARG C C 176.707 0.300 1
62 12 12 ARG CA C 56.291 0.300 1
63 12 12 ARG CB C 30.785 0.300 1
64 12 12 ARG CD C 43.414 0.300 1
65 12 12 ARG CG C 27.035 0.300 1
66 12 12 ARG N N 120.350 0.300 1
67 13 13 THR H H 8.179 0.030 1
68 13 13 THR HA H 4.281 0.030 1
69 13 13 THR HB H 4.185 0.030 1
70 13 13 THR HG2 H 1.167 0.030 1
71 13 13 THR C C 174.407 0.300 1
72 13 13 THR CA C 61.951 0.300 1
73 13 13 THR CB C 69.924 0.300 1
74 13 13 THR CG2 C 21.761 0.300 1
75 13 13 THR N N 115.200 0.300 1
76 14 14 ALA H H 8.329 0.030 1
77 14 14 ALA HA H 4.296 0.030 1
78 14 14 ALA HB H 1.385 0.030 1
79 14 14 ALA C C 177.476 0.300 1
80 14 14 ALA CA C 52.643 0.300 1
81 14 14 ALA CB C 19.247 0.300 1
82 14 14 ALA N N 126.376 0.300 1
83 15 15 GLN H H 8.292 0.030 1
84 15 15 GLN HA H 4.346 0.030 1
85 15 15 GLN HB2 H 2.106 0.030 2
86 15 15 GLN HB3 H 1.934 0.030 2
87 15 15 GLN HE21 H 7.469 0.030 2
88 15 15 GLN HE22 H 6.859 0.030 2
89 15 15 GLN HG2 H 2.351 0.030 1
90 15 15 GLN HG3 H 2.351 0.030 1
91 15 15 GLN C C 175.882 0.300 1
92 15 15 GLN CA C 55.851 0.300 1
93 15 15 GLN CB C 29.751 0.300 1
94 15 15 GLN CG C 34.032 0.300 1
95 15 15 GLN N N 119.282 0.300 1
96 15 15 GLN NE2 N 112.546 0.300 1
97 16 16 SER H H 8.382 0.030 1
98 16 16 SER HA H 4.606 0.030 1
99 16 16 SER HB2 H 3.813 0.030 1
100 16 16 SER HB3 H 3.813 0.030 1
101 16 16 SER C C 174.229 0.300 1
102 16 16 SER CA C 57.614 0.300 1
103 16 16 SER CB C 64.040 0.300 1
104 16 16 SER N N 116.030 0.300 1
105 17 17 THR H H 8.012 0.030 1
106 17 17 THR HA H 4.486 0.030 1
107 17 17 THR HB H 4.044 0.030 1
108 17 17 THR HG2 H 1.017 0.030 1
109 17 17 THR CA C 59.953 0.300 1
110 17 17 THR CB C 68.611 0.300 1
111 17 17 THR CG2 C 21.777 0.300 1
112 17 17 THR N N 114.737 0.300 1
113 18 18 PRO HA H 4.541 0.030 1
114 18 18 PRO HB2 H 2.346 0.030 2
115 18 18 PRO HB3 H 1.829 0.030 2
116 18 18 PRO HD2 H 3.904 0.030 2
117 18 18 PRO HD3 H 3.461 0.030 2
118 18 18 PRO HG2 H 1.808 0.030 1
119 18 18 PRO HG3 H 1.808 0.030 1
120 18 18 PRO C C 176.525 0.300 1
121 18 18 PRO CA C 63.467 0.300 1
122 18 18 PRO CB C 31.996 0.300 1
123 18 18 PRO CD C 50.606 0.300 1
124 18 18 PRO CG C 27.271 0.300 1
125 19 19 SER H H 8.671 0.030 1
126 19 19 SER HA H 4.484 0.030 1
127 19 19 SER HB2 H 3.955 0.030 2
128 19 19 SER HB3 H 3.709 0.030 2
129 19 19 SER C C 173.299 0.300 1
130 19 19 SER CA C 57.790 0.300 1
131 19 19 SER CB C 64.198 0.300 1
132 19 19 SER N N 115.351 0.300 1
133 20 20 ALA H H 7.824 0.030 1
134 20 20 ALA HA H 4.867 0.030 1
135 20 20 ALA HB H 1.431 0.030 1
136 20 20 ALA C C 174.423 0.300 1
137 20 20 ALA CA C 49.856 0.300 1
138 20 20 ALA CB C 20.649 0.300 1
139 20 20 ALA N N 123.616 0.300 1
140 21 21 PRO HB2 H 2.264 0.030 2
141 21 21 PRO HB3 H 1.635 0.030 2
142 21 21 PRO HD2 H 3.687 0.030 2
143 21 21 PRO HD3 H 3.418 0.030 2
144 21 21 PRO HG2 H 1.934 0.030 2
145 21 21 PRO HG3 H 1.978 0.030 2
146 21 21 PRO CA C 64.689 0.300 1
147 21 21 PRO CB C 30.514 0.300 1
148 21 21 PRO CD C 50.468 0.300 1
149 21 21 PRO CG C 27.737 0.300 1
150 22 22 PRO HA H 4.653 0.030 1
151 22 22 PRO HB2 H 4.351 0.030 2
152 22 22 PRO HB3 H 1.498 0.030 2
153 22 22 PRO HD2 H 3.666 0.030 2
154 22 22 PRO HD3 H 4.653 0.030 2
155 22 22 PRO HG2 H 1.615 0.030 1
156 22 22 PRO HG3 H 1.615 0.030 1
157 22 22 PRO C C 174.196 0.300 1
158 22 22 PRO CA C 62.504 0.300 1
159 22 22 PRO CB C 31.980 0.300 1
160 22 22 PRO CD C 50.359 0.300 1
161 22 22 PRO CG C 28.807 0.300 1
162 23 23 GLN H H 8.379 0.030 1
163 23 23 GLN HA H 4.494 0.030 1
164 23 23 GLN HB2 H 2.169 0.030 2
165 23 23 GLN HB3 H 1.803 0.030 2
166 23 23 GLN HE21 H 7.673 0.030 2
167 23 23 GLN HE22 H 7.295 0.030 2
168 23 23 GLN HG2 H 2.387 0.030 1
169 23 23 GLN HG3 H 2.387 0.030 1
170 23 23 GLN C C 173.981 0.300 1
171 23 23 GLN CA C 54.175 0.300 1
172 23 23 GLN CB C 32.763 0.300 1
173 23 23 GLN CG C 34.875 0.300 1
174 23 23 GLN N N 118.794 0.300 1
175 23 23 GLN NE2 N 113.933 0.300 1
176 24 24 LYS H H 8.712 0.030 1
177 24 24 LYS HA H 3.798 0.030 1
178 24 24 LYS HB2 H 1.894 0.030 2
179 24 24 LYS HB3 H 1.684 0.030 2
180 24 24 LYS HD2 H 1.642 0.030 1
181 24 24 LYS HD3 H 1.642 0.030 1
182 24 24 LYS HE2 H 2.959 0.030 1
183 24 24 LYS HE3 H 2.959 0.030 1
184 24 24 LYS HG2 H 1.362 0.030 1
185 24 24 LYS HG3 H 1.362 0.030 1
186 24 24 LYS C C 174.657 0.300 1
187 24 24 LYS CA C 56.220 0.300 1
188 24 24 LYS CB C 30.950 0.300 1
189 24 24 LYS CD C 29.339 0.300 1
190 24 24 LYS CE C 42.282 0.300 1
191 24 24 LYS CG C 25.552 0.300 1
192 24 24 LYS N N 116.539 0.300 1
193 25 25 VAL H H 7.937 0.030 1
194 25 25 VAL HA H 4.761 0.030 1
195 25 25 VAL HB H 1.964 0.030 1
196 25 25 VAL HG1 H 0.930 0.030 1
197 25 25 VAL HG2 H 0.921 0.030 1
198 25 25 VAL C C 176.870 0.300 1
199 25 25 VAL CA C 63.449 0.300 1
200 25 25 VAL CB C 31.238 0.300 1
201 25 25 VAL CG1 C 21.761 0.300 2
202 25 25 VAL CG2 C 21.761 0.300 2
203 25 25 VAL N N 118.791 0.300 1
204 26 26 MET H H 9.022 0.030 1
205 26 26 MET HA H 4.800 0.030 1
206 26 26 MET HB2 H 1.964 0.030 2
207 26 26 MET HB3 H 1.881 0.030 2
208 26 26 MET HE H 1.996 0.030 1
209 26 26 MET HG2 H 2.461 0.030 1
210 26 26 MET HG3 H 2.461 0.030 1
211 26 26 MET C C 174.578 0.300 1
212 26 26 MET CA C 54.246 0.300 1
213 26 26 MET CB C 36.271 0.300 1
214 26 26 MET CE C 16.876 0.300 1
215 26 26 MET CG C 31.650 0.300 1
216 26 26 MET N N 126.964 0.300 1
217 27 27 CYS H H 8.795 0.030 1
218 27 27 CYS HA H 5.554 0.030 1
219 27 27 CYS HB2 H 2.554 0.030 2
220 27 27 CYS HB3 H 2.426 0.030 2
221 27 27 CYS C C 173.118 0.300 1
222 27 27 CYS CA C 56.909 0.300 1
223 27 27 CYS CB C 31.685 0.300 1
224 27 27 CYS N N 118.691 0.300 1
225 28 28 VAL H H 8.684 0.030 1
226 28 28 VAL HA H 4.431 0.030 1
227 28 28 VAL HB H 1.954 0.030 1
228 28 28 VAL HG1 H 0.895 0.030 1
229 28 28 VAL HG2 H 0.895 0.030 1
230 28 28 VAL C C 174.775 0.300 1
231 28 28 VAL CA C 59.896 0.300 1
232 28 28 VAL CB C 35.777 0.300 1
233 28 28 VAL CG1 C 20.854 0.300 2
234 28 28 VAL CG2 C 20.854 0.300 2
235 28 28 VAL N N 119.963 0.300 1
236 29 29 SER H H 9.100 0.030 1
237 29 29 SER HA H 4.404 0.030 1
238 29 29 SER HB2 H 3.965 0.030 1
239 29 29 SER HB3 H 3.965 0.030 1
240 29 29 SER C C 175.452 0.300 1
241 29 29 SER CA C 59.112 0.300 1
242 29 29 SER CB C 62.938 0.300 1
243 29 29 SER N N 121.276 0.300 1
244 30 30 MET H H 8.426 0.030 1
245 30 30 MET HA H 4.826 0.030 1
246 30 30 MET HB2 H 2.159 0.030 2
247 30 30 MET HB3 H 1.414 0.030 2
248 30 30 MET HE H 1.907 0.030 1
249 30 30 MET HG2 H 2.354 0.030 2
250 30 30 MET HG3 H 2.269 0.030 2
251 30 30 MET C C 175.393 0.300 1
252 30 30 MET CA C 53.365 0.300 1
253 30 30 MET CB C 32.433 0.300 1
254 30 30 MET CE C 16.199 0.300 1
255 30 30 MET CG C 32.000 0.300 1
256 30 30 MET N N 125.772 0.300 1
257 31 31 GLY H H 8.170 0.030 1
258 31 31 GLY HA2 H 4.359 0.030 2
259 31 31 GLY HA3 H 3.983 0.030 2
260 31 31 GLY C C 173.316 0.300 1
261 31 31 GLY CA C 45.095 0.300 1
262 31 31 GLY N N 109.868 0.300 1
263 32 32 SER H H 8.690 0.030 1
264 32 32 SER HA H 4.599 0.030 1
265 32 32 SER HB2 H 3.836 0.030 2
266 32 32 SER HB3 H 3.637 0.030 2
267 32 32 SER C C 174.548 0.300 1
268 32 32 SER CA C 59.924 0.300 1
269 32 32 SER CB C 66.109 0.300 1
270 32 32 SER N N 114.729 0.300 1
271 33 33 THR H H 7.672 0.030 1
272 33 33 THR HA H 4.502 0.030 1
273 33 33 THR HB H 4.588 0.030 1
274 33 33 THR HG2 H 1.057 0.030 1
275 33 33 THR C C 173.873 0.300 1
276 33 33 THR CA C 60.205 0.300 1
277 33 33 THR CB C 71.003 0.300 1
278 33 33 THR CG2 C 21.266 0.300 1
279 33 33 THR N N 103.471 0.300 1
280 34 34 THR H H 6.700 0.030 1
281 34 34 THR HA H 5.505 0.030 1
282 34 34 THR HB H 3.689 0.030 1
283 34 34 THR HG2 H 0.906 0.030 1
284 34 34 THR C C 172.993 0.300 1
285 34 34 THR CA C 59.953 0.300 1
286 34 34 THR CB C 71.778 0.300 1
287 34 34 THR CG2 C 20.721 0.300 1
288 34 34 THR N N 113.934 0.300 1
289 35 35 VAL H H 8.329 0.030 1
290 35 35 VAL HA H 4.446 0.030 1
291 35 35 VAL HB H 1.516 0.030 1
292 35 35 VAL HG1 H 0.634 0.030 1
293 35 35 VAL HG2 H 0.488 0.030 1
294 35 35 VAL C C 172.732 0.300 1
295 35 35 VAL CA C 59.821 0.300 1
296 35 35 VAL CB C 36.727 0.300 1
297 35 35 VAL CG1 C 21.774 0.300 2
298 35 35 VAL CG2 C 22.254 0.300 2
299 35 35 VAL N N 124.022 0.300 1
300 36 36 ARG H H 9.080 0.030 1
301 36 36 ARG HA H 5.060 0.030 1
302 36 36 ARG HB2 H 1.686 0.030 1
303 36 36 ARG HB3 H 1.686 0.030 1
304 36 36 ARG HD2 H 3.012 0.030 2
305 36 36 ARG HD3 H 2.880 0.030 2
306 36 36 ARG HE H 9.310 0.030 1
307 36 36 ARG HG2 H 1.421 0.030 2
308 36 36 ARG HG3 H 1.367 0.030 2
309 36 36 ARG C C 175.138 0.300 1
310 36 36 ARG CA C 55.481 0.300 1
311 36 36 ARG CB C 32.142 0.300 1
312 36 36 ARG CD C 43.008 0.300 1
313 36 36 ARG CG C 25.767 0.300 1
314 36 36 ARG N N 127.089 0.300 1
315 36 36 ARG NE N 86.476 0.300 1
316 37 37 VAL H H 9.510 0.030 1
317 37 37 VAL HA H 5.092 0.030 1
318 37 37 VAL HB H 2.346 0.030 1
319 37 37 VAL HG1 H 1.104 0.030 1
320 37 37 VAL HG2 H 1.178 0.030 1
321 37 37 VAL C C 174.040 0.300 1
322 37 37 VAL CA C 60.100 0.300 1
323 37 37 VAL CB C 34.329 0.300 1
324 37 37 VAL CG1 C 22.471 0.300 2
325 37 37 VAL CG2 C 21.142 0.300 2
326 37 37 VAL N N 133.064 0.300 1
327 38 38 SER H H 9.474 0.030 1
328 38 38 SER HA H 5.099 0.030 1
329 38 38 SER HB2 H 3.816 0.030 2
330 38 38 SER HB3 H 3.619 0.030 2
331 38 38 SER C C 172.529 0.300 1
332 38 38 SER CA C 57.508 0.300 1
333 38 38 SER CB C 66.430 0.300 1
334 38 38 SER N N 120.559 0.300 1
335 39 39 TRP H H 7.777 0.030 1
336 39 39 TRP HA H 5.044 0.030 1
337 39 39 TRP HB2 H 3.369 0.030 2
338 39 39 TRP HB3 H 2.923 0.030 2
339 39 39 TRP HD1 H 6.149 0.030 1
340 39 39 TRP HE1 H 6.776 0.030 1
341 39 39 TRP HE3 H 7.595 0.030 1
342 39 39 TRP HH2 H 6.635 0.030 1
343 39 39 TRP HZ2 H 6.472 0.030 1
344 39 39 TRP HZ3 H 6.916 0.030 1
345 39 39 TRP CA C 57.002 0.300 1
346 39 39 TRP CB C 31.344 0.300 1
347 39 39 TRP CD1 C 124.034 0.300 1
348 39 39 TRP CE3 C 121.150 0.300 1
349 39 39 TRP CH2 C 122.919 0.300 1
350 39 39 TRP CZ2 C 113.888 0.300 1
351 39 39 TRP CZ3 C 119.971 0.300 1
352 39 39 TRP N N 116.125 0.300 1
353 39 39 TRP NE1 N 125.284 0.300 1
354 40 40 VAL H H 8.722 0.030 1
355 40 40 VAL HA H 4.750 0.030 1
356 40 40 VAL HB H 1.953 0.030 1
357 40 40 VAL HG1 H 0.928 0.030 1
358 40 40 VAL HG2 H 1.052 0.030 1
359 40 40 VAL CA C 58.914 0.300 1
360 40 40 VAL CB C 34.239 0.300 1
361 40 40 VAL CG1 C 21.707 0.300 2
362 40 40 VAL CG2 C 20.716 0.300 2
363 40 40 VAL N N 118.634 0.300 1
364 41 41 PRO HA H 4.867 0.030 1
365 41 41 PRO HB2 H 2.616 0.030 2
366 41 41 PRO HB3 H 1.834 0.030 2
367 41 41 PRO HD2 H 3.997 0.030 2
368 41 41 PRO HD3 H 3.651 0.030 2
369 41 41 PRO HG2 H 2.145 0.030 1
370 41 41 PRO HG3 H 2.145 0.030 1
371 41 41 PRO CA C 62.469 0.300 1
372 41 41 PRO CB C 30.631 0.300 1
373 41 41 PRO CD C 51.486 0.300 1
374 41 41 PRO CG C 27.928 0.300 1
375 42 42 PRO HD2 H 3.761 0.030 2
376 42 42 PRO CD C 50.461 0.300 1
377 43 43 PRO CB C 33.340 0.300 1
378 43 43 PRO CD C 49.433 0.300 1
379 44 44 ALA HA H 3.904 0.030 1
380 44 44 ALA HB H 1.423 0.030 1
381 44 44 ALA CA C 54.806 0.300 1
382 44 44 ALA CB C 18.727 0.300 1
383 45 45 ASP H H 8.436 0.030 1
384 45 45 ASP HA H 4.542 0.030 1
385 45 45 ASP HB2 H 2.768 0.030 2
386 45 45 ASP HB3 H 2.691 0.030 2
387 45 45 ASP CA C 54.661 0.300 1
388 45 45 ASP CB C 40.840 0.300 1
389 45 45 ASP N N 117.190 0.300 1
390 47 47 ARG HA H 5.037 0.030 1
391 47 47 ARG HB2 H 2.018 0.030 2
392 47 47 ARG HB3 H 1.944 0.030 2
393 47 47 ARG HD2 H 3.303 0.030 2
394 47 47 ARG HD3 H 3.186 0.030 2
395 47 47 ARG HG2 H 1.857 0.030 2
396 47 47 ARG HG3 H 1.396 0.030 2
397 47 47 ARG CA C 61.268 0.300 1
398 47 47 ARG CB C 30.610 0.300 1
399 47 47 ARG CD C 43.967 0.300 1
400 47 47 ARG CG C 27.603 0.300 1
401 48 48 ASN H H 8.208 0.030 1
402 48 48 ASN HA H 4.424 0.030 1
403 48 48 ASN HB2 H 2.774 0.030 2
404 48 48 ASN HB3 H 2.703 0.030 2
405 48 48 ASN HD21 H 7.643 0.030 2
406 48 48 ASN HD22 H 6.852 0.030 2
407 48 48 ASN C C 174.226 0.300 1
408 48 48 ASN CA C 53.629 0.300 1
409 48 48 ASN CB C 37.952 0.300 1
410 48 48 ASN N N 112.494 0.300 1
411 48 48 ASN ND2 N 113.784 0.300 1
412 49 49 GLY H H 7.700 0.030 1
413 49 49 GLY HA2 H 4.099 0.030 2
414 49 49 GLY HA3 H 3.905 0.030 2
415 49 49 GLY C C 172.760 0.300 1
416 49 49 GLY CA C 44.443 0.300 1
417 49 49 GLY N N 105.565 0.300 1
418 50 50 VAL H H 8.138 0.030 1
419 50 50 VAL HA H 3.983 0.030 1
420 50 50 VAL HB H 1.911 0.030 1
421 50 50 VAL HG1 H 0.934 0.030 1
422 50 50 VAL HG2 H 0.856 0.030 1
423 50 50 VAL C C 176.427 0.300 1
424 50 50 VAL CA C 62.233 0.300 1
425 50 50 VAL CB C 32.969 0.300 1
426 50 50 VAL CG1 C 21.266 0.300 2
427 50 50 VAL CG2 C 21.081 0.300 2
428 50 50 VAL N N 119.898 0.300 1
429 51 51 ILE H H 8.391 0.030 1
430 51 51 ILE HA H 4.286 0.030 1
431 51 51 ILE HB H 1.865 0.030 1
432 51 51 ILE HD1 H 0.786 0.030 1
433 51 51 ILE HG12 H 1.525 0.030 2
434 51 51 ILE HG13 H 1.198 0.030 2
435 51 51 ILE HG2 H 0.644 0.030 1
436 51 51 ILE C C 176.753 0.300 1
437 51 51 ILE CA C 60.664 0.300 1
438 51 51 ILE CB C 37.089 0.300 1
439 51 51 ILE CD1 C 12.200 0.300 1
440 51 51 ILE CG1 C 28.292 0.300 1
441 51 51 ILE CG2 C 17.075 0.300 1
442 51 51 ILE N N 127.010 0.300 1
443 52 52 THR H H 8.861 0.030 1
444 52 52 THR HA H 4.251 0.030 1
445 52 52 THR HB H 4.074 0.030 1
446 52 52 THR HG2 H 1.087 0.030 1
447 52 52 THR C C 175.773 0.300 1
448 52 52 THR CA C 61.881 0.300 1
449 52 52 THR CB C 68.845 0.300 1
450 52 52 THR CG2 C 23.162 0.300 1
451 52 52 THR N N 117.640 0.300 1
452 53 53 GLN H H 7.297 0.030 1
453 53 53 GLN HA H 4.813 0.030 1
454 53 53 GLN HB2 H 2.070 0.030 2
455 53 53 GLN HB3 H 1.686 0.030 2
456 53 53 GLN HE21 H 6.591 0.030 2
457 53 53 GLN HE22 H 6.340 0.030 2
458 53 53 GLN HG2 H 1.920 0.030 2
459 53 53 GLN HG3 H 1.505 0.030 2
460 53 53 GLN C C 172.331 0.300 1
461 53 53 GLN CA C 54.828 0.300 1
462 53 53 GLN CB C 31.280 0.300 1
463 53 53 GLN CG C 31.961 0.300 1
464 53 53 GLN N N 117.415 0.300 1
465 53 53 GLN NE2 N 110.042 0.300 1
466 54 54 TYR H H 9.024 0.030 1
467 54 54 TYR HA H 5.254 0.030 1
468 54 54 TYR HB2 H 2.353 0.030 2
469 54 54 TYR HB3 H 2.163 0.030 2
470 54 54 TYR HD1 H 6.827 0.030 1
471 54 54 TYR HD2 H 6.827 0.030 1
472 54 54 TYR HE1 H 6.800 0.030 1
473 54 54 TYR HE2 H 6.800 0.030 1
474 54 54 TYR C C 174.424 0.300 1
475 54 54 TYR CA C 57.314 0.300 1
476 54 54 TYR CB C 42.452 0.300 1
477 54 54 TYR CD1 C 133.512 0.300 1
478 54 54 TYR CD2 C 133.512 0.300 1
479 54 54 TYR CE1 C 117.662 0.300 1
480 54 54 TYR CE2 C 117.662 0.300 1
481 54 54 TYR N N 116.834 0.300 1
482 55 55 SER H H 8.666 0.030 1
483 55 55 SER HA H 5.098 0.030 1
484 55 55 SER HB2 H 3.685 0.030 2
485 55 55 SER HB3 H 3.581 0.030 2
486 55 55 SER C C 172.322 0.300 1
487 55 55 SER CA C 57.543 0.300 1
488 55 55 SER CB C 65.642 0.300 1
489 55 55 SER N N 110.608 0.300 1
490 56 56 VAL H H 8.598 0.030 1
491 56 56 VAL HA H 4.722 0.030 1
492 56 56 VAL HB H 1.678 0.030 1
493 56 56 VAL HG1 H 1.041 0.030 1
494 56 56 VAL HG2 H 0.635 0.030 1
495 56 56 VAL C C 173.467 0.300 1
496 56 56 VAL CA C 60.293 0.300 1
497 56 56 VAL CB C 35.276 0.300 1
498 56 56 VAL CG1 C 23.244 0.300 2
499 56 56 VAL CG2 C 21.979 0.300 2
500 56 56 VAL N N 121.235 0.300 1
501 57 57 ALA H H 9.429 0.030 1
502 57 57 ALA HA H 5.950 0.030 1
503 57 57 ALA HB H 1.292 0.030 1
504 57 57 ALA C C 176.208 0.300 1
505 57 57 ALA CA C 49.204 0.300 1
506 57 57 ALA CB C 23.303 0.300 1
507 57 57 ALA N N 128.726 0.300 1
508 58 58 TYR H H 9.155 0.030 1
509 58 58 TYR HA H 6.445 0.030 1
510 58 58 TYR HB2 H 3.048 0.030 2
511 58 58 TYR HB3 H 2.848 0.030 2
512 58 58 TYR HD1 H 6.829 0.030 1
513 58 58 TYR HD2 H 6.829 0.030 1
514 58 58 TYR HE1 H 6.547 0.030 1
515 58 58 TYR HE2 H 6.547 0.030 1
516 58 58 TYR C C 173.727 0.300 1
517 58 58 TYR CA C 55.797 0.300 1
518 58 58 TYR CB C 41.662 0.300 1
519 58 58 TYR CD1 C 133.868 0.300 1
520 58 58 TYR CD2 C 133.868 0.300 1
521 58 58 TYR CE1 C 117.978 0.300 1
522 58 58 TYR CE2 C 117.978 0.300 1
523 58 58 TYR N N 115.719 0.300 1
524 59 59 GLU H H 9.020 0.030 1
525 59 59 GLU HA H 4.969 0.030 1
526 59 59 GLU HB2 H 2.219 0.030 2
527 59 59 GLU HB3 H 1.993 0.030 2
528 59 59 GLU HG2 H 2.261 0.030 2
529 59 59 GLU HG3 H 2.096 0.030 2
530 59 59 GLU C C 174.734 0.300 1
531 59 59 GLU CA C 54.916 0.300 1
532 59 59 GLU CB C 35.128 0.300 1
533 59 59 GLU CG C 35.979 0.300 1
534 59 59 GLU N N 118.594 0.300 1
535 60 60 ALA H H 9.830 0.030 1
536 60 60 ALA HA H 4.086 0.030 1
537 60 60 ALA HB H 1.160 0.030 1
538 60 60 ALA C C 177.582 0.300 1
539 60 60 ALA CA C 51.982 0.300 1
540 60 60 ALA CB C 18.463 0.300 1
541 60 60 ALA N N 130.146 0.300 1
542 61 61 VAL H H 9.214 0.030 1
543 61 61 VAL HA H 3.684 0.030 1
544 61 61 VAL HB H 1.712 0.030 1
545 61 61 VAL HG1 H 0.752 0.030 1
546 61 61 VAL HG2 H 0.830 0.030 1
547 61 61 VAL C C 177.270 0.300 1
548 61 61 VAL CA C 64.155 0.300 1
549 61 61 VAL CB C 32.639 0.300 1
550 61 61 VAL CG1 C 21.900 0.300 2
551 61 61 VAL CG2 C 21.039 0.300 2
552 61 61 VAL N N 123.896 0.300 1
553 62 62 ASP H H 7.812 0.030 1
554 62 62 ASP HA H 4.644 0.030 1
555 62 62 ASP HB2 H 2.866 0.030 2
556 62 62 ASP HB3 H 2.432 0.030 2
557 62 62 ASP C C 176.186 0.300 1
558 62 62 ASP CA C 52.413 0.300 1
559 62 62 ASP CB C 40.610 0.300 1
560 62 62 ASP N N 116.490 0.300 1
561 63 63 GLY H H 6.845 0.030 1
562 63 63 GLY HA2 H 4.359 0.030 2
563 63 63 GLY HA3 H 3.569 0.030 2
564 63 63 GLY C C 173.650 0.300 1
565 63 63 GLY CA C 44.390 0.300 1
566 63 63 GLY N N 104.575 0.300 1
567 64 64 GLU H H 10.338 0.030 1
568 64 64 GLU HA H 4.125 0.030 1
569 64 64 GLU HB2 H 2.033 0.030 2
570 64 64 GLU HB3 H 1.955 0.030 2
571 64 64 GLU HG2 H 2.314 0.030 2
572 64 64 GLU HG3 H 2.220 0.030 2
573 64 64 GLU C C 177.652 0.300 1
574 64 64 GLU CA C 58.442 0.300 1
575 64 64 GLU CB C 30.126 0.300 1
576 64 64 GLU CG C 36.587 0.300 1
577 64 64 GLU N N 121.992 0.300 1
578 65 65 ASP H H 8.689 0.030 1
579 65 65 ASP HA H 4.787 0.030 1
580 65 65 ASP HB2 H 3.035 0.030 2
581 65 65 ASP HB3 H 2.678 0.030 2
582 65 65 ASP C C 176.710 0.300 1
583 65 65 ASP CA C 52.994 0.300 1
584 65 65 ASP CB C 40.813 0.300 1
585 65 65 ASP N N 119.438 0.300 1
586 66 66 ARG H H 8.624 0.030 1
587 66 66 ARG HA H 4.592 0.030 1
588 66 66 ARG HB2 H 2.166 0.030 2
589 66 66 ARG HB3 H 1.596 0.030 2
590 66 66 ARG HD2 H 3.074 0.030 1
591 66 66 ARG HD3 H 3.074 0.030 1
592 66 66 ARG HG2 H 1.555 0.030 2
593 66 66 ARG HG3 H 1.341 0.030 2
594 66 66 ARG C C 176.694 0.300 1
595 66 66 ARG CA C 55.092 0.300 1
596 66 66 ARG CB C 29.772 0.300 1
597 66 66 ARG CD C 43.271 0.300 1
598 66 66 ARG CG C 27.156 0.300 1
599 66 66 ARG N N 124.795 0.300 1
600 67 67 GLY H H 8.445 0.030 1
601 67 67 GLY HA2 H 3.944 0.030 2
602 67 67 GLY HA3 H 3.606 0.030 2
603 67 67 GLY C C 172.338 0.300 1
604 67 67 GLY CA C 44.637 0.300 1
605 67 67 GLY N N 108.038 0.300 1
606 68 68 ARG H H 8.204 0.030 1
607 68 68 ARG HA H 4.644 0.030 1
608 68 68 ARG HB2 H 1.725 0.030 2
609 68 68 ARG HB3 H 1.518 0.030 2
610 68 68 ARG HD2 H 2.719 0.030 1
611 68 68 ARG HD3 H 2.719 0.030 1
612 68 68 ARG HE H 6.548 0.030 1
613 68 68 ARG HG2 H 1.233 0.030 1
614 68 68 ARG HG3 H 1.233 0.030 1
615 68 68 ARG C C 176.109 0.300 1
616 68 68 ARG CA C 55.639 0.300 1
617 68 68 ARG CB C 30.703 0.300 1
618 68 68 ARG CD C 42.955 0.300 1
619 68 68 ARG CG C 28.024 0.300 1
620 68 68 ARG N N 121.766 0.300 1
621 68 68 ARG NE N 83.652 0.300 1
622 69 69 HIS H H 8.937 0.030 1
623 69 69 HIS HA H 4.631 0.030 1
624 69 69 HIS HB2 H 2.615 0.030 2
625 69 69 HIS HB3 H 1.542 0.030 2
626 69 69 HIS HD2 H 6.964 0.030 1
627 69 69 HIS C C 173.112 0.300 1
628 69 69 HIS CA C 54.529 0.300 1
629 69 69 HIS CB C 31.119 0.300 1
630 69 69 HIS CD2 C 120.455 0.300 1
631 69 69 HIS N N 127.148 0.300 1
632 70 70 VAL H H 8.404 0.030 1
633 70 70 VAL HA H 4.865 0.030 1
634 70 70 VAL HB H 1.815 0.030 1
635 70 70 VAL HG1 H 0.765 0.030 1
636 70 70 VAL HG2 H 0.765 0.030 1
637 70 70 VAL C C 175.831 0.300 1
638 70 70 VAL CA C 61.281 0.300 1
639 70 70 VAL CB C 35.277 0.300 1
640 70 70 VAL CG1 C 21.184 0.300 2
641 70 70 VAL CG2 C 21.184 0.300 2
642 70 70 VAL N N 119.608 0.300 1
643 71 71 VAL H H 9.651 0.030 1
644 71 71 VAL HA H 4.177 0.030 1
645 71 71 VAL HB H 1.946 0.030 1
646 71 71 VAL HG1 H 1.128 0.030 1
647 71 71 VAL HG2 H 0.752 0.030 1
648 71 71 VAL C C 173.845 0.300 1
649 71 71 VAL CA C 62.145 0.300 1
650 71 71 VAL CB C 32.927 0.300 1
651 71 71 VAL CG1 C 20.513 0.300 2
652 71 71 VAL CG2 C 21.048 0.300 2
653 71 71 VAL N N 130.614 0.300 1
654 72 72 ASP H H 8.167 0.030 1
655 72 72 ASP HA H 4.839 0.030 1
656 72 72 ASP HB2 H 2.521 0.030 2
657 72 72 ASP HB3 H 2.395 0.030 2
658 72 72 ASP C C 176.302 0.300 1
659 72 72 ASP CA C 51.671 0.300 1
660 72 72 ASP CB C 43.147 0.300 1
661 72 72 ASP N N 124.911 0.300 1
662 73 73 GLY H H 8.374 0.030 1
663 73 73 GLY HA2 H 3.723 0.030 2
664 73 73 GLY HA3 H 3.464 0.030 2
665 73 73 GLY C C 174.877 0.300 1
666 73 73 GLY CA C 46.329 0.300 1
667 73 73 GLY N N 104.865 0.300 1
668 74 74 ILE H H 7.409 0.030 1
669 74 74 ILE HA H 3.421 0.030 1
670 74 74 ILE HB H 1.553 0.030 1
671 74 74 ILE HD1 H -0.065 0.030 1
672 74 74 ILE HG12 H 0.516 0.030 2
673 74 74 ILE HG13 H -1.005 0.030 2
674 74 74 ILE HG2 H 0.999 0.030 1
675 74 74 ILE C C 176.211 0.300 1
676 74 74 ILE CA C 61.652 0.300 1
677 74 74 ILE CB C 37.669 0.300 1
678 74 74 ILE CD1 C 14.282 0.300 1
679 74 74 ILE CG1 C 26.107 0.300 1
680 74 74 ILE CG2 C 16.837 0.300 1
681 74 74 ILE N N 122.105 0.300 1
682 75 75 SER H H 8.510 0.030 1
683 75 75 SER HA H 4.463 0.030 1
684 75 75 SER HB2 H 4.307 0.030 2
685 75 75 SER HB3 H 4.038 0.030 2
686 75 75 SER C C 175.389 0.300 1
687 75 75 SER CA C 59.570 0.300 1
688 75 75 SER CB C 64.009 0.300 1
689 75 75 SER N N 123.210 0.300 1
690 76 76 ARG H H 8.273 0.030 1
691 76 76 ARG HA H 4.315 0.030 1
692 76 76 ARG HB2 H 1.982 0.030 2
693 76 76 ARG HB3 H 1.578 0.030 2
694 76 76 ARG HD2 H 3.297 0.030 1
695 76 76 ARG HD3 H 3.297 0.030 1
696 76 76 ARG HG2 H 1.812 0.030 2
697 76 76 ARG HG3 H 1.538 0.030 2
698 76 76 ARG C C 175.646 0.300 1
699 76 76 ARG CA C 57.967 0.300 1
700 76 76 ARG CB C 29.508 0.300 1
701 76 76 ARG CD C 43.271 0.300 1
702 76 76 ARG CG C 25.634 0.300 1
703 76 76 ARG N N 118.273 0.300 1
704 77 77 GLU H H 8.595 0.030 1
705 77 77 GLU HA H 4.363 0.030 1
706 77 77 GLU HB2 H 2.075 0.030 2
707 77 77 GLU HB3 H 1.777 0.030 2
708 77 77 GLU HG2 H 2.199 0.030 2
709 77 77 GLU HG3 H 2.101 0.030 2
710 77 77 GLU C C 177.088 0.300 1
711 77 77 GLU CA C 56.856 0.300 1
712 77 77 GLU CB C 29.311 0.300 1
713 77 77 GLU CG C 36.183 0.300 1
714 77 77 GLU N N 119.303 0.300 1
715 78 78 HIS H H 8.196 0.030 1
716 78 78 HIS HA H 4.564 0.030 1
717 78 78 HIS HB2 H 3.574 0.030 2
718 78 78 HIS HB3 H 3.370 0.030 2
719 78 78 HIS HD2 H 7.587 0.030 1
720 78 78 HIS C C 174.760 0.300 1
721 78 78 HIS CA C 57.772 0.300 1
722 78 78 HIS CB C 31.715 0.300 1
723 78 78 HIS CD2 C 120.986 0.300 1
724 78 78 HIS N N 120.909 0.300 1
725 79 79 SER H H 8.501 0.030 1
726 79 79 SER HA H 3.279 0.030 1
727 79 79 SER HB2 H 3.787 0.030 2
728 79 79 SER HB3 H 3.471 0.030 2
729 79 79 SER C C 171.109 0.300 1
730 79 79 SER CA C 56.115 0.300 1
731 79 79 SER CB C 64.215 0.300 1
732 79 79 SER N N 113.284 0.300 1
733 80 80 SER H H 7.010 0.030 1
734 80 80 SER HA H 4.891 0.030 1
735 80 80 SER HB2 H 3.495 0.030 1
736 80 80 SER HB3 H 3.495 0.030 1
737 80 80 SER C C 173.025 0.300 1
738 80 80 SER CA C 56.768 0.300 1
739 80 80 SER CB C 66.033 0.300 1
740 80 80 SER N N 112.581 0.300 1
741 81 81 TRP H H 9.470 0.030 1
742 81 81 TRP HA H 4.567 0.030 1
743 81 81 TRP HB2 H 3.526 0.030 2
744 81 81 TRP HB3 H 2.893 0.030 2
745 81 81 TRP HD1 H 6.644 0.030 1
746 81 81 TRP HE1 H 10.094 0.030 1
747 81 81 TRP HE3 H 6.622 0.030 1
748 81 81 TRP HH2 H 7.189 0.030 1
749 81 81 TRP HZ2 H 7.477 0.030 1
750 81 81 TRP HZ3 H 7.748 0.030 1
751 81 81 TRP C C 173.270 0.300 1
752 81 81 TRP CA C 57.631 0.300 1
753 81 81 TRP CB C 34.170 0.300 1
754 81 81 TRP CD1 C 125.876 0.300 1
755 81 81 TRP CE3 C 121.623 0.300 1
756 81 81 TRP CH2 C 124.534 0.300 1
757 81 81 TRP CZ2 C 114.698 0.300 1
758 81 81 TRP CZ3 C 121.607 0.300 1
759 81 81 TRP N N 121.558 0.300 1
760 81 81 TRP NE1 N 128.794 0.300 1
761 82 82 ASP H H 7.134 0.030 1
762 82 82 ASP HA H 5.295 0.030 1
763 82 82 ASP HB2 H 2.094 0.030 2
764 82 82 ASP HB3 H 1.832 0.030 2
765 82 82 ASP C C 174.795 0.300 1
766 82 82 ASP CA C 52.805 0.300 1
767 82 82 ASP CB C 39.658 0.300 1
768 82 82 ASP N N 126.697 0.300 1
769 83 83 LEU H H 9.201 0.030 1
770 83 83 LEU HA H 4.462 0.030 1
771 83 83 LEU HB2 H 1.590 0.030 2
772 83 83 LEU HB3 H 0.756 0.030 2
773 83 83 LEU HD1 H 0.283 0.030 1
774 83 83 LEU HD2 H 0.798 0.030 1
775 83 83 LEU HG H 1.606 0.030 1
776 83 83 LEU C C 175.306 0.300 1
777 83 83 LEU CA C 53.584 0.300 1
778 83 83 LEU CB C 42.219 0.300 1
779 83 83 LEU CD1 C 24.508 0.300 2
780 83 83 LEU CD2 C 22.718 0.300 2
781 83 83 LEU CG C 26.234 0.300 1
782 83 83 LEU N N 125.249 0.300 1
783 84 84 VAL H H 7.585 0.030 1
784 84 84 VAL HA H 4.852 0.030 1
785 84 84 VAL HB H 2.141 0.030 1
786 84 84 VAL HG1 H 0.730 0.030 1
787 84 84 VAL HG2 H 0.762 0.030 1
788 84 84 VAL C C 176.618 0.300 1
789 84 84 VAL CA C 59.113 0.300 1
790 84 84 VAL CB C 34.122 0.300 1
791 84 84 VAL CG1 C 21.339 0.300 2
792 84 84 VAL CG2 C 17.899 0.300 2
793 84 84 VAL N N 114.687 0.300 1
794 85 85 GLY H H 8.820 0.030 1
795 85 85 GLY HA2 H 3.812 0.030 1
796 85 85 GLY HA3 H 3.812 0.030 1
797 85 85 GLY C C 175.340 0.300 1
798 85 85 GLY CA C 46.294 0.300 1
799 85 85 GLY N N 108.894 0.300 1
800 86 86 LEU H H 8.263 0.030 1
801 86 86 LEU HA H 4.174 0.030 1
802 86 86 LEU HB2 H 1.363 0.030 2
803 86 86 LEU HB3 H 0.999 0.030 2
804 86 86 LEU HD1 H -0.155 0.030 1
805 86 86 LEU HD2 H -0.194 0.030 1
806 86 86 LEU HG H 0.909 0.030 1
807 86 86 LEU C C 175.444 0.300 1
808 86 86 LEU CA C 53.805 0.300 1
809 86 86 LEU CB C 40.799 0.300 1
810 86 86 LEU CD1 C 25.560 0.300 2
811 86 86 LEU CD2 C 20.543 0.300 2
812 86 86 LEU CG C 26.475 0.300 1
813 86 86 LEU N N 119.630 0.300 1
814 87 87 GLU H H 8.378 0.030 1
815 87 87 GLU HA H 4.307 0.030 1
816 87 87 GLU HB2 H 2.174 0.030 2
817 87 87 GLU HB3 H 2.004 0.030 2
818 87 87 GLU HG2 H 2.461 0.030 2
819 87 87 GLU HG3 H 2.359 0.030 2
820 87 87 GLU C C 176.285 0.300 1
821 87 87 GLU CA C 55.991 0.300 1
822 87 87 GLU CB C 31.402 0.300 1
823 87 87 GLU CG C 37.274 0.300 1
824 87 87 GLU N N 118.306 0.300 1
825 88 88 LYS H H 8.256 0.030 1
826 88 88 LYS HA H 4.969 0.030 1
827 88 88 LYS HB2 H 1.741 0.030 2
828 88 88 LYS HB3 H 1.601 0.030 2
829 88 88 LYS HD2 H 1.592 0.030 1
830 88 88 LYS HD3 H 1.592 0.030 1
831 88 88 LYS HE2 H 2.855 0.030 1
832 88 88 LYS HE3 H 2.855 0.030 1
833 88 88 LYS HG2 H 1.422 0.030 2
834 88 88 LYS HG3 H 1.290 0.030 2
835 88 88 LYS C C 177.687 0.300 1
836 88 88 LYS CA C 56.380 0.300 1
837 88 88 LYS CB C 33.422 0.300 1
838 88 88 LYS CD C 29.916 0.300 1
839 88 88 LYS CE C 42.076 0.300 1
840 88 88 LYS CG C 24.975 0.300 1
841 88 88 LYS N N 120.459 0.300 1
842 89 89 TRP H H 8.076 0.030 1
843 89 89 TRP HA H 4.438 0.030 1
844 89 89 TRP HB2 H 3.649 0.030 2
845 89 89 TRP HB3 H 2.724 0.030 2
846 89 89 TRP HD1 H 7.317 0.030 1
847 89 89 TRP HE1 H 10.062 0.030 1
848 89 89 TRP HE3 H 7.130 0.030 1
849 89 89 TRP HH2 H 7.146 0.030 1
850 89 89 TRP HZ2 H 7.379 0.030 1
851 89 89 TRP HZ3 H 7.735 0.030 1
852 89 89 TRP C C 175.110 0.300 1
853 89 89 TRP CA C 56.943 0.300 1
854 89 89 TRP CB C 28.839 0.300 1
855 89 89 TRP CD1 C 126.464 0.300 1
856 89 89 TRP CE3 C 121.734 0.300 1
857 89 89 TRP CH2 C 124.488 0.300 1
858 89 89 TRP CZ2 C 114.349 0.300 1
859 89 89 TRP CZ3 C 121.719 0.300 1
860 89 89 TRP N N 130.532 0.300 1
861 89 89 TRP NE1 N 128.367 0.300 1
862 90 90 THR H H 8.296 0.030 1
863 90 90 THR HA H 4.283 0.030 1
864 90 90 THR HB H 3.727 0.030 1
865 90 90 THR HG2 H 0.726 0.030 1
866 90 90 THR C C 171.345 0.300 1
867 90 90 THR CA C 62.939 0.300 1
868 90 90 THR CB C 71.945 0.300 1
869 90 90 THR CG2 C 19.865 0.300 1
870 90 90 THR N N 117.075 0.300 1
871 91 91 GLU H H 9.403 0.030 1
872 91 91 GLU HA H 4.865 0.030 1
873 91 91 GLU HB2 H 1.832 0.030 2
874 91 91 GLU HB3 H 1.503 0.030 2
875 91 91 GLU HG2 H 1.849 0.030 1
876 91 91 GLU HG3 H 1.849 0.030 1
877 91 91 GLU C C 174.179 0.300 1
878 91 91 GLU CA C 55.251 0.300 1
879 91 91 GLU CB C 31.898 0.300 1
880 91 91 GLU CG C 38.326 0.300 1
881 91 91 GLU N N 130.017 0.300 1
882 92 92 TYR H H 9.563 0.030 1
883 92 92 TYR HA H 4.982 0.030 1
884 92 92 TYR HB2 H 2.638 0.030 2
885 92 92 TYR HB3 H 2.478 0.030 2
886 92 92 TYR HD1 H 6.985 0.030 1
887 92 92 TYR HD2 H 6.985 0.030 1
888 92 92 TYR HE1 H 6.875 0.030 1
889 92 92 TYR HE2 H 6.875 0.030 1
890 92 92 TYR C C 174.485 0.300 1
891 92 92 TYR CA C 57.966 0.300 1
892 92 92 TYR CB C 42.488 0.300 1
893 92 92 TYR CD1 C 132.627 0.300 1
894 92 92 TYR CD2 C 132.627 0.300 1
895 92 92 TYR CE1 C 118.819 0.300 1
896 92 92 TYR CE2 C 118.819 0.300 1
897 92 92 TYR N N 124.584 0.300 1
898 93 93 ARG H H 8.696 0.030 1
899 93 93 ARG HA H 4.683 0.030 1
900 93 93 ARG HB2 H 1.269 0.030 2
901 93 93 ARG HB3 H 0.711 0.030 2
902 93 93 ARG HD2 H 3.034 0.030 2
903 93 93 ARG HD3 H 2.907 0.030 2
904 93 93 ARG HG2 H 1.142 0.030 2
905 93 93 ARG HG3 H 0.767 0.030 2
906 93 93 ARG C C 175.567 0.300 1
907 93 93 ARG CA C 55.004 0.300 1
908 93 93 ARG CB C 33.217 0.300 1
909 93 93 ARG CD C 43.926 0.300 1
910 93 93 ARG CG C 28.698 0.300 1
911 93 93 ARG N N 119.072 0.300 1
912 94 94 VAL H H 8.297 0.030 1
913 94 94 VAL HA H 5.082 0.030 1
914 94 94 VAL HB H 1.694 0.030 1
915 94 94 VAL HG1 H 0.830 0.030 1
916 94 94 VAL HG2 H 0.697 0.030 1
917 94 94 VAL C C 174.997 0.300 1
918 94 94 VAL CA C 61.264 0.300 1
919 94 94 VAL CB C 35.524 0.300 1
920 94 94 VAL CG1 C 21.886 0.300 2
921 94 94 VAL CG2 C 20.890 0.300 2
922 94 94 VAL N N 120.896 0.300 1
923 95 95 TRP H H 9.513 0.030 1
924 95 95 TRP HA H 4.657 0.030 1
925 95 95 TRP HB2 H 2.983 0.030 1
926 95 95 TRP HB3 H 2.983 0.030 1
927 95 95 TRP HD1 H 7.745 0.030 1
928 95 95 TRP HE1 H 10.181 0.030 1
929 95 95 TRP HE3 H 6.668 0.030 1
930 95 95 TRP HH2 H 7.089 0.030 1
931 95 95 TRP HZ2 H 7.307 0.030 1
932 95 95 TRP HZ3 H 7.519 0.030 1
933 95 95 TRP C C 175.041 0.300 1
934 95 95 TRP CA C 57.613 0.300 1
935 95 95 TRP CB C 35.524 0.300 1
936 95 95 TRP CD1 C 129.108 0.300 1
937 95 95 TRP CE3 C 121.494 0.300 1
938 95 95 TRP CH2 C 123.984 0.300 1
939 95 95 TRP CZ2 C 113.834 0.300 1
940 95 95 TRP CZ3 C 121.555 0.300 1
941 95 95 TRP N N 125.615 0.300 1
942 95 95 TRP NE1 N 129.715 0.300 1
943 96 96 VAL H H 8.699 0.030 1
944 96 96 VAL HA H 4.917 0.030 1
945 96 96 VAL HB H 1.386 0.030 1
946 96 96 VAL HG1 H 0.678 0.030 1
947 96 96 VAL HG2 H 0.012 0.030 1
948 96 96 VAL C C 174.109 0.300 1
949 96 96 VAL CA C 60.911 0.300 1
950 96 96 VAL CB C 34.695 0.300 1
951 96 96 VAL CG1 C 22.832 0.300 2
952 96 96 VAL CG2 C 20.030 0.300 2
953 96 96 VAL N N 121.627 0.300 1
954 97 97 ARG H H 8.859 0.030 1
955 97 97 ARG HA H 4.722 0.030 1
956 97 97 ARG HB2 H 1.690 0.030 2
957 97 97 ARG HB3 H 1.390 0.030 2
958 97 97 ARG HD2 H 2.881 0.030 1
959 97 97 ARG HD3 H 2.881 0.030 1
960 97 97 ARG HE H 7.063 0.030 1
961 97 97 ARG HG2 H 1.581 0.030 2
962 97 97 ARG HG3 H 1.084 0.030 2
963 97 97 ARG C C 172.756 0.300 1
964 97 97 ARG CA C 54.457 0.300 1
965 97 97 ARG CB C 34.677 0.300 1
966 97 97 ARG CD C 44.240 0.300 1
967 97 97 ARG CG C 24.304 0.300 1
968 97 97 ARG N N 123.714 0.300 1
969 97 97 ARG NE N 81.898 0.300 1
970 98 98 ALA H H 8.767 0.030 1
971 98 98 ALA HA H 4.788 0.030 1
972 98 98 ALA HB H 1.283 0.030 1
973 98 98 ALA C C 175.562 0.300 1
974 98 98 ALA CA C 50.156 0.300 1
975 98 98 ALA CB C 22.038 0.300 1
976 98 98 ALA N N 123.523 0.300 1
977 99 99 HIS H H 8.302 0.030 1
978 99 99 HIS HA H 4.960 0.030 1
979 99 99 HIS HB2 H 2.886 0.030 2
980 99 99 HIS HB3 H 2.675 0.030 2
981 99 99 HIS HE1 H 7.536 0.030 1
982 99 99 HIS C C 175.609 0.300 1
983 99 99 HIS CA C 54.812 0.300 1
984 99 99 HIS CB C 32.722 0.300 1
985 99 99 HIS CE1 C 137.651 0.300 1
986 99 99 HIS N N 117.930 0.300 1
987 100 100 THR H H 7.987 0.030 1
988 100 100 THR HA H 5.150 0.030 1
989 100 100 THR HB H 4.618 0.030 1
990 100 100 THR HG2 H 1.008 0.030 1
991 100 100 THR C C 175.931 0.300 1
992 100 100 THR CA C 60.118 0.300 1
993 100 100 THR CB C 72.611 0.300 1
994 100 100 THR CG2 C 21.184 0.300 1
995 100 100 THR N N 110.165 0.300 1
996 101 101 ASP H H 9.387 0.030 1
997 101 101 ASP HA H 4.333 0.030 1
998 101 101 ASP HB2 H 2.648 0.030 1
999 101 101 ASP HB3 H 2.648 0.030 1
1000 101 101 ASP C C 177.225 0.300 1
1001 101 101 ASP CA C 56.732 0.300 1
1002 101 101 ASP CB C 40.204 0.300 1
1003 101 101 ASP N N 119.322 0.300 1
1004 102 102 VAL H H 7.579 0.030 1
1005 102 102 VAL HA H 3.962 0.030 1
1006 102 102 VAL HB H 1.802 0.030 1
1007 102 102 VAL HG1 H 0.820 0.030 1
1008 102 102 VAL HG2 H 0.816 0.030 1
1009 102 102 VAL C C 176.175 0.300 1
1010 102 102 VAL CA C 63.397 0.300 1
1011 102 102 VAL CB C 32.268 0.300 1
1012 102 102 VAL CG1 C 21.446 0.300 2
1013 102 102 VAL CG2 C 21.678 0.300 2
1014 102 102 VAL N N 114.993 0.300 1
1015 103 103 GLY H H 7.272 0.030 1
1016 103 103 GLY HA2 H 4.428 0.030 2
1017 103 103 GLY HA3 H 3.978 0.030 2
1018 103 103 GLY C C 170.611 0.300 1
1019 103 103 GLY CA C 45.040 0.300 1
1020 103 103 GLY N N 107.959 0.300 1
1021 104 104 PRO HA H 4.146 0.030 1
1022 104 104 PRO HB2 H 2.288 0.030 2
1023 104 104 PRO HB3 H 1.863 0.030 2
1024 104 104 PRO HD2 H 3.555 0.030 1
1025 104 104 PRO HD3 H 3.555 0.030 1
1026 104 104 PRO HG2 H 1.984 0.030 1
1027 104 104 PRO HG3 H 1.984 0.030 1
1028 104 104 PRO CA C 62.420 0.300 1
1029 104 104 PRO CB C 30.841 0.300 1
1030 104 104 PRO CD C 49.764 0.300 1
1031 104 104 PRO CG C 27.167 0.300 1
1032 105 105 GLY H H 8.626 0.030 1
1033 105 105 GLY HA2 H 4.346 0.030 2
1034 105 105 GLY HA3 H 3.735 0.030 2
1035 105 105 GLY CA C 44.124 0.300 1
1036 105 105 GLY N N 109.972 0.300 1
1037 106 106 PRO HA H 4.374 0.030 1
1038 106 106 PRO HB2 H 2.218 0.030 2
1039 106 106 PRO HB3 H 1.682 0.030 2
1040 106 106 PRO HD2 H 3.450 0.030 2
1041 106 106 PRO HD3 H 3.176 0.030 2
1042 106 106 PRO HG2 H 1.829 0.030 2
1043 106 106 PRO HG3 H 1.489 0.030 2
1044 106 106 PRO C C 177.163 0.300 1
1045 106 106 PRO CA C 62.413 0.300 1
1046 106 106 PRO CB C 32.201 0.300 1
1047 106 106 PRO CD C 49.479 0.300 1
1048 106 106 PRO CG C 26.953 0.300 1
1049 107 107 GLU H H 8.558 0.030 1
1050 107 107 GLU HA H 4.512 0.030 1
1051 107 107 GLU HB2 H 2.062 0.030 2
1052 107 107 GLU HB3 H 1.870 0.030 2
1053 107 107 GLU HG2 H 2.066 0.030 2
1054 107 107 GLU HG3 H 1.983 0.030 2
1055 107 107 GLU C C 177.313 0.300 1
1056 107 107 GLU CA C 55.727 0.300 1
1057 107 107 GLU CB C 31.839 0.300 1
1058 107 107 GLU CG C 37.499 0.300 1
1059 107 107 GLU N N 119.511 0.300 1
1060 108 108 SER H H 8.907 0.030 1
1061 108 108 SER HA H 4.181 0.030 1
1062 108 108 SER HB2 H 4.366 0.030 2
1063 108 108 SER HB3 H 3.911 0.030 2
1064 108 108 SER C C 173.751 0.300 1
1065 108 108 SER CA C 58.513 0.300 1
1066 108 108 SER CB C 64.905 0.300 1
1067 108 108 SER N N 115.790 0.300 1
1068 109 109 SER H H 8.549 0.030 1
1069 109 109 SER HA H 4.176 0.030 1
1070 109 109 SER HB2 H 4.017 0.030 2
1071 109 109 SER HB3 H 3.914 0.030 2
1072 109 109 SER C C 174.132 0.300 1
1073 109 109 SER CA C 58.512 0.300 1
1074 109 109 SER CB C 62.198 0.300 1
1075 109 109 SER N N 116.448 0.300 1
1076 110 110 PRO HA H 4.053 0.030 1
1077 110 110 PRO HB2 H 0.973 0.030 2
1078 110 110 PRO HB3 H 0.646 0.030 2
1079 110 110 PRO HD2 H 3.907 0.030 2
1080 110 110 PRO HD3 H 3.464 0.030 2
1081 110 110 PRO HG2 H 2.037 0.030 2
1082 110 110 PRO HG3 H 1.980 0.030 2
1083 110 110 PRO C C 176.816 0.300 1
1084 110 110 PRO CA C 62.621 0.300 1
1085 110 110 PRO CB C 30.828 0.300 1
1086 110 110 PRO CD C 50.425 0.300 1
1087 110 110 PRO CG C 27.080 0.300 1
1088 111 111 VAL H H 8.290 0.030 1
1089 111 111 VAL HA H 4.177 0.030 1
1090 111 111 VAL HB H 1.792 0.030 1
1091 111 111 VAL HG1 H 0.895 0.030 1
1092 111 111 VAL HG2 H 0.843 0.030 1
1093 111 111 VAL C C 174.023 0.300 1
1094 111 111 VAL CA C 60.805 0.300 1
1095 111 111 VAL CB C 34.988 0.300 1
1096 111 111 VAL CG1 C 22.909 0.300 2
1097 111 111 VAL CG2 C 21.761 0.300 2
1098 111 111 VAL N N 122.075 0.300 1
1099 112 112 LEU H H 8.107 0.030 1
1100 112 112 LEU HA H 5.487 0.030 1
1101 112 112 LEU HB2 H 1.526 0.030 2
1102 112 112 LEU HB3 H 1.363 0.030 2
1103 112 112 LEU HD1 H 0.753 0.030 1
1104 112 112 LEU HD2 H 0.651 0.030 1
1105 112 112 LEU HG H 1.456 0.030 1
1106 112 112 LEU C C 177.073 0.300 1
1107 112 112 LEU CA C 53.447 0.300 1
1108 112 112 LEU CB C 43.992 0.300 1
1109 112 112 LEU CD1 C 25.176 0.300 2
1110 112 112 LEU CD2 C 24.379 0.300 2
1111 112 112 LEU CG C 27.607 0.300 1
1112 112 112 LEU N N 125.142 0.300 1
1113 113 113 VAL H H 8.963 0.030 1
1114 113 113 VAL HA H 4.447 0.030 1
1115 113 113 VAL HB H 1.793 0.030 1
1116 113 113 VAL HG1 H 0.734 0.030 1
1117 113 113 VAL HG2 H 0.743 0.030 1
1118 113 113 VAL C C 170.095 0.300 1
1119 113 113 VAL CA C 59.694 0.300 1
1120 113 113 VAL CB C 34.618 0.300 1
1121 113 113 VAL CG1 C 21.266 0.300 2
1122 113 113 VAL CG2 C 19.114 0.300 2
1123 113 113 VAL N N 122.211 0.300 1
1124 114 114 ARG H H 8.349 0.030 1
1125 114 114 ARG HA H 5.449 0.030 1
1126 114 114 ARG HB2 H 1.573 0.030 2
1127 114 114 ARG HB3 H 1.412 0.030 2
1128 114 114 ARG HD2 H 2.451 0.030 2
1129 114 114 ARG HD3 H 2.101 0.030 2
1130 114 114 ARG HE H 6.426 0.030 1
1131 114 114 ARG HG2 H 1.812 0.030 2
1132 114 114 ARG HG3 H 0.939 0.030 2
1133 114 114 ARG C C 176.979 0.300 1
1134 114 114 ARG CA C 53.717 0.300 1
1135 114 114 ARG CB C 33.217 0.300 1
1136 114 114 ARG CD C 42.535 0.300 1
1137 114 114 ARG CG C 27.215 0.300 1
1138 114 114 ARG N N 128.874 0.300 1
1139 114 114 ARG NE N 82.684 0.300 1
1140 115 115 THR H H 8.613 0.030 1
1141 115 115 THR HA H 4.423 0.030 1
1142 115 115 THR HB H 4.618 0.030 1
1143 115 115 THR HG2 H 1.055 0.030 1
1144 115 115 THR C C 174.686 0.300 1
1145 115 115 THR CA C 61.307 0.300 1
1146 115 115 THR CB C 69.387 0.300 1
1147 115 115 THR CG2 C 24.150 0.300 1
1148 115 115 THR N N 116.779 0.300 1
1149 116 116 ASP H H 7.341 0.030 1
1150 116 116 ASP HA H 4.601 0.030 1
1151 116 116 ASP HB2 H 2.839 0.030 2
1152 116 116 ASP HB3 H 2.147 0.030 2
1153 116 116 ASP C C 175.878 0.300 1
1154 116 116 ASP CA C 54.599 0.300 1
1155 116 116 ASP CB C 41.690 0.300 1
1156 116 116 ASP N N 117.889 0.300 1
1157 117 117 GLU H H 8.228 0.030 1
1158 117 117 GLU HA H 4.089 0.030 1
1159 117 117 GLU HB2 H 1.637 0.030 2
1160 117 117 GLU HB3 H 1.460 0.030 2
1161 117 117 GLU HG2 H 1.691 0.030 1
1162 117 117 GLU HG3 H 1.691 0.030 1
1163 117 117 GLU C C 176.284 0.300 1
1164 117 117 GLU CA C 56.238 0.300 1
1165 117 117 GLU CB C 30.946 0.300 1
1166 117 117 GLU CG C 35.914 0.300 1
1167 117 117 GLU N N 117.554 0.300 1
1168 118 118 ASP H H 8.596 0.030 1
1169 118 118 ASP HA H 4.580 0.030 1
1170 118 118 ASP HB2 H 2.662 0.030 2
1171 118 118 ASP HB3 H 2.456 0.030 2
1172 118 118 ASP C C 175.625 0.300 1
1173 118 118 ASP CA C 54.147 0.300 1
1174 118 118 ASP CB C 41.864 0.300 1
1175 118 118 ASP N N 121.875 0.300 1
1176 119 119 VAL H H 8.059 0.030 1
1177 119 119 VAL HA H 4.347 0.030 1
1178 119 119 VAL HB H 2.003 0.030 1
1179 119 119 VAL HG1 H 0.880 0.030 1
1180 119 119 VAL HG2 H 0.840 0.030 1
1181 119 119 VAL C C 174.351 0.300 1
1182 119 119 VAL CA C 59.655 0.300 1
1183 119 119 VAL CB C 32.804 0.300 1
1184 119 119 VAL CG1 C 21.083 0.300 2
1185 119 119 VAL CG2 C 20.132 0.300 2
1186 119 119 VAL N N 121.676 0.300 1
1187 120 120 PRO HA H 4.390 0.030 1
1188 120 120 PRO HB2 H 2.272 0.030 2
1189 120 120 PRO HB3 H 1.878 0.030 2
1190 120 120 PRO HD2 H 3.765 0.030 2
1191 120 120 PRO HD3 H 3.615 0.030 2
1192 120 120 PRO HG2 H 1.988 0.030 2
1193 120 120 PRO HG3 H 1.864 0.030 2
1194 120 120 PRO CA C 63.198 0.300 1
1195 120 120 PRO CB C 32.008 0.300 1
1196 120 120 PRO CD C 50.906 0.300 1
1197 120 120 PRO CG C 27.469 0.300 1
1198 121 121 SER H H 8.419 0.030 1
1199 121 121 SER HA H 4.406 0.030 1
1200 121 121 SER HB2 H 3.845 0.030 2
1201 121 121 SER CA C 59.189 0.300 1
1202 121 121 SER CB C 64.788 0.300 1
1203 121 121 SER N N 116.462 0.300 1
1204 122 122 GLY H H 8.165 0.030 1
1205 122 122 GLY HA2 H 4.056 0.030 1
1206 122 122 GLY HA3 H 4.056 0.030 1
1207 122 122 GLY CA C 44.575 0.300 1
1208 122 122 GLY N N 110.687 0.300 1
1209 123 123 PRO HA H 4.660 0.030 1
1210 123 123 PRO HB2 H 1.584 0.030 1
1211 123 123 PRO HB3 H 1.584 0.030 1
1212 123 123 PRO HD2 H 4.153 0.030 2
1213 123 123 PRO HD3 H 3.580 0.030 2
1214 123 123 PRO HG2 H 1.934 0.030 2
1215 123 123 PRO HG3 H 1.884 0.030 2
1216 123 123 PRO CA C 61.420 0.300 1
1217 123 123 PRO CB C 32.011 0.300 1
1218 123 123 PRO CD C 49.709 0.300 1
1219 123 123 PRO CG C 26.376 0.300 1
1220 124 124 PRO HA H 4.372 0.030 1
1221 124 124 PRO HB2 H 2.257 0.030 2
1222 124 124 PRO HB3 H 1.868 0.030 2
1223 124 124 PRO HD2 H 3.762 0.030 2
1224 124 124 PRO HD3 H 3.593 0.030 2
1225 124 124 PRO HG2 H 1.984 0.030 2
1226 124 124 PRO HG3 H 1.923 0.030 2
1227 124 124 PRO C C 176.834 0.300 1
1228 124 124 PRO CA C 62.868 0.300 1
1229 124 124 PRO CB C 32.062 0.300 1
1230 124 124 PRO CD C 50.389 0.300 1
1231 124 124 PRO CG C 27.447 0.300 1
1232 125 125 ARG H H 8.389 0.030 1
1233 125 125 ARG HA H 4.241 0.030 1
1234 125 125 ARG HB2 H 1.707 0.030 1
1235 125 125 ARG HB3 H 1.707 0.030 1
1236 125 125 ARG HD2 H 3.139 0.030 2
1237 125 125 ARG HG2 H 1.603 0.030 1
1238 125 125 ARG HG3 H 1.603 0.030 1
1239 125 125 ARG C C 176.152 0.300 1
1240 125 125 ARG CA C 55.904 0.300 1
1241 125 125 ARG CB C 30.938 0.300 1
1242 125 125 ARG CD C 43.271 0.300 1
1243 125 125 ARG CG C 27.035 0.300 1
1244 125 125 ARG N N 121.856 0.300 1
1245 126 126 LYS H H 8.396 0.030 1
1246 126 126 LYS HA H 4.294 0.030 1
1247 126 126 LYS HB2 H 1.725 0.030 2
1248 126 126 LYS HE2 H 2.945 0.030 2
1249 126 126 LYS HG2 H 1.362 0.030 2
1250 126 126 LYS C C 176.228 0.300 1
1251 126 126 LYS CA C 56.203 0.300 1
1252 126 126 LYS CB C 33.175 0.300 1
1253 126 126 LYS CD C 29.425 0.300 1
1254 126 126 LYS CE C 42.200 0.300 1
1255 126 126 LYS CG C 24.810 0.300 1
1256 126 126 LYS N N 123.910 0.300 1
1257 127 127 VAL H H 8.308 0.030 1
1258 127 127 VAL HA H 4.056 0.030 1
1259 127 127 VAL HB H 2.011 0.030 1
1260 127 127 VAL HG1 H 0.895 0.030 1
1261 127 127 VAL HG2 H 0.895 0.030 1
1262 127 127 VAL C C 176.122 0.300 1
1263 127 127 VAL CA C 62.303 0.300 1
1264 127 127 VAL CB C 32.846 0.300 1
1265 127 127 VAL CG1 C 20.936 0.300 2
1266 127 127 VAL CG2 C 20.936 0.300 2
1267 127 127 VAL N N 123.154 0.300 1
1268 128 128 GLU H H 8.587 0.030 1
1269 128 128 GLU HA H 4.365 0.030 1
1270 128 128 GLU HB2 H 2.062 0.030 2
1271 128 128 GLU HB3 H 1.920 0.030 2
1272 128 128 GLU HG2 H 2.231 0.030 2
1273 128 128 GLU C C 176.309 0.300 1
1274 128 128 GLU CA C 56.345 0.300 1
1275 128 128 GLU CB C 30.373 0.300 1
1276 128 128 GLU CG C 36.018 0.300 1
1277 128 128 GLU N N 125.485 0.300 1
1278 129 129 SER H H 8.396 0.030 1
1279 129 129 SER HA H 4.463 0.030 1
1280 129 129 SER HB2 H 3.879 0.030 1
1281 129 129 SER HB3 H 3.879 0.030 1
1282 129 129 SER C C 174.517 0.300 1
1283 129 129 SER CA C 58.231 0.300 1
1284 129 129 SER CB C 63.874 0.300 1
1285 129 129 SER N N 117.339 0.300 1
1286 130 130 GLY H H 8.289 0.030 1
1287 130 130 GLY HA2 H 4.434 0.030 2
1288 130 130 GLY HA3 H 4.117 0.030 2
1289 130 130 GLY C C 171.777 0.300 1
1290 130 130 GLY CA C 44.637 0.300 1
1291 130 130 GLY N N 110.818 0.300 1
1292 131 131 PRO HA H 4.450 0.030 1
1293 131 131 PRO HB2 H 2.268 0.030 1
1294 131 131 PRO HB3 H 2.268 0.030 1
1295 131 131 PRO HD2 H 3.590 0.030 1
1296 131 131 PRO HD3 H 3.590 0.030 1
1297 131 131 PRO HG2 H 1.989 0.030 1
1298 131 131 PRO HG3 H 1.989 0.030 1
1299 131 131 PRO CA C 63.215 0.300 1
1300 131 131 PRO CB C 32.047 0.300 1
1301 131 131 PRO CD C 49.782 0.300 1
1302 131 131 PRO CG C 27.282 0.300 1
1303 132 132 SER H H 8.522 0.030 1
1304 132 132 SER N N 116.445 0.300 1
stop_
save_