data_11128
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the 3rd fibronectin type III domain from mouse biregional
cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein
;
_BMRB_accession_number 11128
_BMRB_flat_file_name bmr11128.str
_Entry_type original
_Submission_date 2010-03-31
_Accession_date 2010-03-31
_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 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
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" 642
"13C chemical shifts" 490
"15N chemical shifts" 113
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-04-01 original author .
stop_
_Original_release_date 2011-04-01
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the 3rd fibronectin type III domain from mouse biregional
cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
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
;
biregional cell adhesion molecule-related/down-regulated oncogenes
(Cdon)binding protein
;
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'fibronectin type III (fn3) 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 (fn3) domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 114
_Mol_residue_sequence
;
GSSGSSGPVAGPYITFTDAV
NETTIMLKWMYIPASNNNTP
IHGFYIYYRPTDSDNDSDYK
KDMVEGDRYWHSISHLQPET
SYDIKMQCFNEGGESEFSNV
MICETKARSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PRO 9 VAL 10 ALA
11 GLY 12 PRO 13 TYR 14 ILE 15 THR
16 PHE 17 THR 18 ASP 19 ALA 20 VAL
21 ASN 22 GLU 23 THR 24 THR 25 ILE
26 MET 27 LEU 28 LYS 29 TRP 30 MET
31 TYR 32 ILE 33 PRO 34 ALA 35 SER
36 ASN 37 ASN 38 ASN 39 THR 40 PRO
41 ILE 42 HIS 43 GLY 44 PHE 45 TYR
46 ILE 47 TYR 48 TYR 49 ARG 50 PRO
51 THR 52 ASP 53 SER 54 ASP 55 ASN
56 ASP 57 SER 58 ASP 59 TYR 60 LYS
61 LYS 62 ASP 63 MET 64 VAL 65 GLU
66 GLY 67 ASP 68 ARG 69 TYR 70 TRP
71 HIS 72 SER 73 ILE 74 SER 75 HIS
76 LEU 77 GLN 78 PRO 79 GLU 80 THR
81 SER 82 TYR 83 ASP 84 ILE 85 LYS
86 MET 87 GLN 88 CYS 89 PHE 90 ASN
91 GLU 92 GLY 93 GLY 94 GLU 95 SER
96 GLU 97 PHE 98 SER 99 ASN 100 VAL
101 MET 102 ILE 103 CYS 104 GLU 105 THR
106 LYS 107 ALA 108 ARG 109 SER 110 GLY
111 PRO 112 SER 113 SER 114 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-01
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 1X4Y "Solution Structure Of The 3rd Fibronectin Type Iii Domain From Mouse Biregional Cell Adhesion Molecule-RelatedDOWN- Regulated O" 100.00 114 100.00 100.00 1.23e-78
PDB 3N1G "Crystal Structure Of Dhhn Bound To Bocfn3" 88.60 111 99.01 100.00 1.58e-69
PDB 3N1M "Crystal Structure Of Ihhn Bound To Bocfn3" 88.60 111 99.01 100.00 1.58e-69
PDB 3N1P "Crystal Structure Of Ihhn Bound To Bocfn3" 88.60 111 99.01 100.00 1.58e-69
GB AAH26443 "Boc protein, partial [Mus musculus]" 88.60 419 100.00 100.00 4.78e-67
GB AAH56138 "Boc protein [Mus musculus]" 88.60 304 100.00 100.00 3.05e-68
GB ELK18171 "Brother of CDO [Pteropus alecto]" 88.60 1026 100.00 100.00 1.86e-64
GB EMP33684 "Brother of CDO [Chelonia mydas]" 88.60 985 98.02 100.00 3.34e-64
GB EOB00737 "Brother of CDO [Anas platyrhynchos]" 88.60 462 98.02 100.00 5.19e-66
REF XP_004323219 "PREDICTED: brother of CDO-like, partial [Tursiops truncatus]" 68.42 382 100.00 100.00 5.25e-49
REF XP_004706542 "PREDICTED: brother of CDO [Echinops telfairi]" 88.60 1106 100.00 100.00 9.69e-64
REF XP_004938270 "PREDICTED: brother of CDO isoform X8 [Gallus gallus]" 87.72 1256 97.00 99.00 4.21e-61
REF XP_004938271 "PREDICTED: brother of CDO isoform X9 [Gallus gallus]" 87.72 1254 97.00 99.00 4.18e-61
REF XP_004938272 "PREDICTED: brother of CDO isoform X10 [Gallus gallus]" 88.60 1170 98.02 100.00 1.55e-63
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 'house mouse' 10090 Eukaryotase Metazoaouse Mus musculususe
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'cell free synthesis' . Escherichia coli . P040719-12
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.84mM fn3 domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;}
0.02% {NaN3;} 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.84 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRview
_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_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9295
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'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_
_Software_label
$XWINNMR
$NMRPipe
$NMRview
$Kujira
$CYANA
stop_
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 'fibronectin type III (fn3) 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 1 1 GLY HA2 H 3.770 0.030 1
2 1 1 GLY HA3 H 3.770 0.030 1
3 1 1 GLY CA C 41.373 0.300 1
4 2 2 SER C C 172.342 0.300 1
5 2 2 SER CA C 56.019 0.300 1
6 2 2 SER CB C 61.375 0.300 1
7 3 3 SER HA H 4.409 0.030 1
8 3 3 SER HB2 H 3.792 0.030 2
9 3 3 SER CA C 56.264 0.300 1
10 3 3 SER CB C 61.375 0.300 1
11 4 4 GLY H H 8.348 0.030 1
12 4 4 GLY HA2 H 3.921 0.030 1
13 4 4 GLY HA3 H 3.921 0.030 1
14 4 4 GLY CA C 42.969 0.300 1
15 4 4 GLY N N 110.543 0.300 1
16 5 5 SER H H 8.165 0.030 1
17 5 5 SER CA C 55.934 0.300 1
18 5 5 SER CB C 61.622 0.300 1
19 5 5 SER N N 115.527 0.300 1
20 6 6 SER H H 8.239 0.030 1
21 6 6 SER HA H 4.421 0.030 1
22 6 6 SER HB2 H 3.762 0.030 2
23 6 6 SER CA C 55.795 0.300 1
24 6 6 SER CB C 61.520 0.300 1
25 6 6 SER N N 117.541 0.300 1
26 7 7 GLY H H 8.246 0.030 1
27 7 7 GLY HA2 H 4.284 0.030 2
28 7 7 GLY HA3 H 3.377 0.030 2
29 7 7 GLY CA C 41.582 0.300 1
30 7 7 GLY N N 110.669 0.300 1
31 8 8 PRO HA H 4.165 0.030 1
32 8 8 PRO HB2 H 1.935 0.030 2
33 8 8 PRO HB3 H 1.601 0.030 2
34 8 8 PRO HD2 H 3.140 0.030 2
35 8 8 PRO HD3 H 3.288 0.030 2
36 8 8 PRO HG2 H 1.664 0.030 2
37 8 8 PRO HG3 H 1.492 0.030 2
38 8 8 PRO C C 173.449 0.300 1
39 8 8 PRO CA C 60.151 0.300 1
40 8 8 PRO CB C 30.264 0.300 1
41 8 8 PRO CD C 46.715 0.300 1
42 8 8 PRO CG C 24.880 0.300 1
43 9 9 VAL H H 7.908 0.030 1
44 9 9 VAL HA H 3.990 0.030 1
45 9 9 VAL HB H 1.947 0.030 1
46 9 9 VAL HG1 H 0.810 0.030 1
47 9 9 VAL HG2 H 0.857 0.030 1
48 9 9 VAL C C 173.050 0.300 1
49 9 9 VAL CA C 61.210 0.300 1
50 9 9 VAL CB C 30.749 0.300 1
51 9 9 VAL CG1 C 18.490 0.300 2
52 9 9 VAL CG2 C 18.744 0.300 2
53 9 9 VAL N N 119.785 0.300 1
54 10 10 ALA H H 8.153 0.030 1
55 10 10 ALA HA H 4.271 0.030 1
56 10 10 ALA HB H 1.381 0.030 1
57 10 10 ALA C C 175.711 0.300 1
58 10 10 ALA CA C 50.413 0.300 1
59 10 10 ALA CB C 17.026 0.300 1
60 10 10 ALA N N 123.732 0.300 1
61 11 11 GLY H H 8.540 0.030 1
62 11 11 GLY HA2 H 3.707 0.030 1
63 11 11 GLY HA3 H 3.707 0.030 1
64 11 11 GLY C C 169.897 0.300 1
65 11 11 GLY CA C 42.076 0.300 1
66 11 11 GLY N N 106.846 0.300 1
67 12 12 PRO HA H 5.177 0.030 1
68 12 12 PRO HB2 H 2.246 0.030 2
69 12 12 PRO HB3 H 1.824 0.030 2
70 12 12 PRO HD2 H 3.363 0.030 2
71 12 12 PRO HD3 H 3.861 0.030 2
72 12 12 PRO HG2 H 1.650 0.030 1
73 12 12 PRO HG3 H 1.650 0.030 1
74 12 12 PRO C C 171.234 0.300 1
75 12 12 PRO CA C 59.951 0.300 1
76 12 12 PRO CB C 30.781 0.300 1
77 12 12 PRO CD C 46.495 0.300 1
78 12 12 PRO CG C 26.079 0.300 1
79 13 13 TYR H H 8.640 0.030 1
80 13 13 TYR HA H 4.936 0.030 1
81 13 13 TYR HB2 H 2.835 0.030 1
82 13 13 TYR HB3 H 2.835 0.030 1
83 13 13 TYR HD1 H 6.959 0.030 1
84 13 13 TYR HD2 H 6.959 0.030 1
85 13 13 TYR HE1 H 6.724 0.030 1
86 13 13 TYR HE2 H 6.724 0.030 1
87 13 13 TYR C C 172.918 0.300 1
88 13 13 TYR CA C 54.674 0.300 1
89 13 13 TYR CB C 39.597 0.300 1
90 13 13 TYR CD1 C 130.901 0.300 1
91 13 13 TYR CD2 C 130.901 0.300 1
92 13 13 TYR CE1 C 115.814 0.300 1
93 13 13 TYR CE2 C 115.814 0.300 1
94 13 13 TYR N N 119.134 0.300 1
95 14 14 ILE H H 9.684 0.030 1
96 14 14 ILE HA H 4.274 0.030 1
97 14 14 ILE HB H 1.543 0.030 1
98 14 14 ILE HD1 H 0.658 0.030 1
99 14 14 ILE HG12 H 0.842 0.030 2
100 14 14 ILE HG13 H 1.596 0.030 2
101 14 14 ILE HG2 H 1.009 0.030 1
102 14 14 ILE C C 173.913 0.300 1
103 14 14 ILE CA C 61.040 0.300 1
104 14 14 ILE CB C 35.928 0.300 1
105 14 14 ILE CD1 C 12.128 0.300 1
106 14 14 ILE CG1 C 25.432 0.300 1
107 14 14 ILE CG2 C 17.183 0.300 1
108 14 14 ILE N N 128.498 0.300 1
109 15 15 THR H H 8.716 0.030 1
110 15 15 THR HA H 4.223 0.030 1
111 15 15 THR HB H 4.222 0.030 1
112 15 15 THR HG2 H 1.265 0.030 1
113 15 15 THR C C 173.439 0.300 1
114 15 15 THR CA C 59.717 0.300 1
115 15 15 THR CB C 66.969 0.300 1
116 15 15 THR CG2 C 21.158 0.300 1
117 15 15 THR N N 117.405 0.300 1
118 16 16 PHE H H 7.513 0.030 1
119 16 16 PHE HA H 4.768 0.030 1
120 16 16 PHE HB2 H 3.146 0.030 2
121 16 16 PHE HB3 H 2.519 0.030 2
122 16 16 PHE HD1 H 7.031 0.030 1
123 16 16 PHE HD2 H 7.031 0.030 1
124 16 16 PHE HE1 H 7.164 0.030 1
125 16 16 PHE HE2 H 7.164 0.030 1
126 16 16 PHE HZ H 7.186 0.030 1
127 16 16 PHE C C 171.911 0.300 1
128 16 16 PHE CA C 55.837 0.300 1
129 16 16 PHE CB C 41.079 0.300 1
130 16 16 PHE CD1 C 129.206 0.300 1
131 16 16 PHE CD2 C 129.206 0.300 1
132 16 16 PHE CE1 C 129.214 0.300 1
133 16 16 PHE CE2 C 129.214 0.300 1
134 16 16 PHE CZ C 128.250 0.300 1
135 16 16 PHE N N 122.288 0.300 1
136 17 17 THR H H 7.812 0.030 1
137 17 17 THR HA H 5.040 0.030 1
138 17 17 THR HB H 3.745 0.030 1
139 17 17 THR HG2 H 0.965 0.030 1
140 17 17 THR C C 170.050 0.300 1
141 17 17 THR CA C 57.531 0.300 1
142 17 17 THR CB C 69.779 0.300 1
143 17 17 THR CG2 C 20.714 0.300 1
144 17 17 THR N N 117.664 0.300 1
145 18 18 ASP H H 8.599 0.030 1
146 18 18 ASP HA H 4.558 0.030 1
147 18 18 ASP HB2 H 2.277 0.030 2
148 18 18 ASP HB3 H 2.216 0.030 2
149 18 18 ASP C C 172.136 0.300 1
150 18 18 ASP CA C 51.367 0.300 1
151 18 18 ASP CB C 43.183 0.300 1
152 18 18 ASP N N 119.598 0.300 1
153 19 19 ALA H H 8.388 0.030 1
154 19 19 ALA HA H 4.534 0.030 1
155 19 19 ALA HB H 1.436 0.030 1
156 19 19 ALA C C 174.245 0.300 1
157 19 19 ALA CA C 49.681 0.300 1
158 19 19 ALA CB C 16.940 0.300 1
159 19 19 ALA N N 126.827 0.300 1
160 20 20 VAL H H 8.147 0.030 1
161 20 20 VAL HA H 3.746 0.030 1
162 20 20 VAL HB H 1.471 0.030 1
163 20 20 VAL HG1 H 0.796 0.030 1
164 20 20 VAL HG2 H 0.794 0.030 1
165 20 20 VAL C C 174.207 0.300 1
166 20 20 VAL CA C 61.445 0.300 1
167 20 20 VAL CB C 31.006 0.300 1
168 20 20 VAL CG1 C 18.498 0.300 2
169 20 20 VAL CG2 C 19.466 0.300 2
170 20 20 VAL N N 123.482 0.300 1
171 21 21 ASN H H 7.739 0.030 1
172 21 21 ASN HA H 4.341 0.030 1
173 21 21 ASN HB2 H 3.219 0.030 2
174 21 21 ASN HB3 H 3.159 0.030 2
175 21 21 ASN HD21 H 6.494 0.030 2
176 21 21 ASN HD22 H 7.714 0.030 2
177 21 21 ASN C C 172.171 0.300 1
178 21 21 ASN CA C 50.664 0.300 1
179 21 21 ASN CB C 34.668 0.300 1
180 21 21 ASN N N 112.916 0.300 1
181 21 21 ASN ND2 N 113.568 0.300 1
182 22 22 GLU H H 9.700 0.030 1
183 22 22 GLU HA H 4.381 0.030 1
184 22 22 GLU HB2 H 1.931 0.030 2
185 22 22 GLU HB3 H 1.773 0.030 2
186 22 22 GLU HG2 H 2.151 0.030 2
187 22 22 GLU HG3 H 2.251 0.030 2
188 22 22 GLU C C 171.963 0.300 1
189 22 22 GLU CA C 56.050 0.300 1
190 22 22 GLU CB C 27.059 0.300 1
191 22 22 GLU CG C 34.231 0.300 1
192 22 22 GLU N N 117.542 0.300 1
193 23 23 THR H H 8.053 0.030 1
194 23 23 THR HA H 4.450 0.030 1
195 23 23 THR HB H 4.350 0.030 1
196 23 23 THR HG2 H 0.999 0.030 1
197 23 23 THR C C 172.213 0.300 1
198 23 23 THR CA C 57.906 0.300 1
199 23 23 THR CB C 69.287 0.300 1
200 23 23 THR CG2 C 18.740 0.300 1
201 23 23 THR N N 102.135 0.300 1
202 24 24 THR H H 6.778 0.030 1
203 24 24 THR HA H 5.506 0.030 1
204 24 24 THR HB H 3.384 0.030 1
205 24 24 THR HG2 H 0.793 0.030 1
206 24 24 THR C C 171.379 0.300 1
207 24 24 THR CA C 59.088 0.300 1
208 24 24 THR CB C 69.285 0.300 1
209 24 24 THR CG2 C 17.521 0.300 1
210 24 24 THR N N 114.983 0.300 1
211 25 25 ILE H H 8.490 0.030 1
212 25 25 ILE HA H 4.394 0.030 1
213 25 25 ILE HB H 1.035 0.030 1
214 25 25 ILE HD1 H 0.461 0.030 1
215 25 25 ILE HG12 H 1.197 0.030 2
216 25 25 ILE HG13 H 0.653 0.030 2
217 25 25 ILE HG2 H 0.550 0.030 1
218 25 25 ILE C C 170.738 0.300 1
219 25 25 ILE CA C 58.008 0.300 1
220 25 25 ILE CB C 40.732 0.300 1
221 25 25 ILE CD1 C 12.258 0.300 1
222 25 25 ILE CG1 C 26.176 0.300 1
223 25 25 ILE CG2 C 14.564 0.300 1
224 25 25 ILE N N 126.641 0.300 1
225 26 26 MET H H 9.059 0.030 1
226 26 26 MET HA H 5.284 0.030 1
227 26 26 MET HB2 H 1.913 0.030 1
228 26 26 MET HB3 H 1.913 0.030 1
229 26 26 MET HE H 1.782 0.030 1
230 26 26 MET HG2 H 2.471 0.030 1
231 26 26 MET HG3 H 2.471 0.030 1
232 26 26 MET C C 171.328 0.300 1
233 26 26 MET CA C 51.611 0.300 1
234 26 26 MET CB C 32.541 0.300 1
235 26 26 MET CE C 14.582 0.300 1
236 26 26 MET CG C 29.695 0.300 1
237 26 26 MET N N 126.522 0.300 1
238 27 27 LEU H H 9.175 0.030 1
239 27 27 LEU HA H 5.583 0.030 1
240 27 27 LEU HB2 H 1.669 0.030 2
241 27 27 LEU HB3 H 2.034 0.030 2
242 27 27 LEU HD1 H 0.894 0.030 1
243 27 27 LEU HD2 H 0.997 0.030 1
244 27 27 LEU HG H 2.064 0.030 1
245 27 27 LEU C C 172.374 0.300 1
246 27 27 LEU CA C 52.169 0.300 1
247 27 27 LEU CB C 44.322 0.300 1
248 27 27 LEU CD1 C 26.424 0.300 2
249 27 27 LEU CD2 C 25.043 0.300 2
250 27 27 LEU CG C 24.898 0.300 1
251 27 27 LEU N N 122.690 0.300 1
252 28 28 LYS H H 8.517 0.030 1
253 28 28 LYS HA H 5.079 0.030 1
254 28 28 LYS HB2 H 1.931 0.030 2
255 28 28 LYS HB3 H 1.586 0.030 2
256 28 28 LYS HD2 H 1.352 0.030 2
257 28 28 LYS HD3 H 1.126 0.030 2
258 28 28 LYS HE2 H 2.197 0.030 2
259 28 28 LYS HE3 H 2.396 0.030 2
260 28 28 LYS HG2 H 1.376 0.030 2
261 28 28 LYS HG3 H 1.211 0.030 2
262 28 28 LYS C C 172.772 0.300 1
263 28 28 LYS CA C 52.855 0.300 1
264 28 28 LYS CB C 34.682 0.300 1
265 28 28 LYS CD C 27.165 0.300 1
266 28 28 LYS CE C 39.583 0.300 1
267 28 28 LYS CG C 23.259 0.300 1
268 28 28 LYS N N 116.799 0.300 1
269 29 29 TRP H H 7.652 0.030 1
270 29 29 TRP HA H 5.604 0.030 1
271 29 29 TRP HB2 H 3.168 0.030 2
272 29 29 TRP HB3 H 2.933 0.030 2
273 29 29 TRP HD1 H 6.125 0.030 1
274 29 29 TRP HE1 H 6.263 0.030 1
275 29 29 TRP HE3 H 6.842 0.030 1
276 29 29 TRP HH2 H 6.405 0.030 1
277 29 29 TRP HZ2 H 6.551 0.030 1
278 29 29 TRP HZ3 H 6.587 0.030 1
279 29 29 TRP C C 171.036 0.300 1
280 29 29 TRP CA C 53.968 0.300 1
281 29 29 TRP CB C 30.710 0.300 1
282 29 29 TRP CD1 C 121.242 0.300 1
283 29 29 TRP CE3 C 118.509 0.300 1
284 29 29 TRP CH2 C 121.556 0.300 1
285 29 29 TRP CZ2 C 112.265 0.300 1
286 29 29 TRP CZ3 C 118.390 0.300 1
287 29 29 TRP N N 115.940 0.300 1
288 29 29 TRP NE1 N 125.061 0.300 1
289 30 30 MET H H 9.268 0.030 1
290 30 30 MET HA H 4.903 0.030 1
291 30 30 MET HB2 H 2.011 0.030 1
292 30 30 MET HB3 H 2.011 0.030 1
293 30 30 MET HE H 1.952 0.030 1
294 30 30 MET HG2 H 2.617 0.030 2
295 30 30 MET HG3 H 2.496 0.030 2
296 30 30 MET C C 172.442 0.300 1
297 30 30 MET CA C 51.381 0.300 1
298 30 30 MET CB C 34.243 0.300 1
299 30 30 MET CE C 14.568 0.300 1
300 30 30 MET CG C 29.099 0.300 1
301 30 30 MET N N 115.840 0.300 1
302 31 31 TYR H H 8.725 0.030 1
303 31 31 TYR HA H 4.840 0.030 1
304 31 31 TYR HB2 H 3.139 0.030 1
305 31 31 TYR HB3 H 3.139 0.030 1
306 31 31 TYR HD1 H 6.968 0.030 1
307 31 31 TYR HD2 H 6.968 0.030 1
308 31 31 TYR HE1 H 6.655 0.030 1
309 31 31 TYR HE2 H 6.655 0.030 1
310 31 31 TYR C C 170.343 0.300 1
311 31 31 TYR CA C 56.365 0.300 1
312 31 31 TYR CB C 39.030 0.300 1
313 31 31 TYR CD1 C 129.944 0.300 1
314 31 31 TYR CD2 C 129.944 0.300 1
315 31 31 TYR CE1 C 116.380 0.300 1
316 31 31 TYR CE2 C 116.380 0.300 1
317 31 31 TYR N N 122.090 0.300 1
318 32 32 ILE H H 8.082 0.030 1
319 32 32 ILE HA H 4.296 0.030 1
320 32 32 ILE HB H 1.668 0.030 1
321 32 32 ILE HD1 H 0.705 0.030 1
322 32 32 ILE HG12 H 1.009 0.030 2
323 32 32 ILE HG13 H 1.316 0.030 2
324 32 32 ILE HG2 H 0.724 0.030 1
325 32 32 ILE C C 171.573 0.300 1
326 32 32 ILE CA C 55.029 0.300 1
327 32 32 ILE CB C 36.024 0.300 1
328 32 32 ILE CD1 C 10.041 0.300 1
329 32 32 ILE CG1 C 24.714 0.300 1
330 32 32 ILE CG2 C 15.062 0.300 1
331 32 32 ILE N N 129.498 0.300 1
332 33 33 PRO HA H 4.081 0.030 1
333 33 33 PRO HB2 H 2.325 0.030 2
334 33 33 PRO HB3 H 1.912 0.030 2
335 33 33 PRO HD2 H 3.616 0.030 1
336 33 33 PRO HD3 H 3.616 0.030 1
337 33 33 PRO HG2 H 1.901 0.030 2
338 33 33 PRO C C 175.794 0.300 1
339 33 33 PRO CA C 61.460 0.300 1
340 33 33 PRO CB C 29.798 0.300 1
341 33 33 PRO CD C 48.704 0.300 1
342 33 33 PRO CG C 25.143 0.300 1
343 34 34 ALA H H 8.310 0.030 1
344 34 34 ALA HA H 4.070 0.030 1
345 34 34 ALA HB H 1.348 0.030 1
346 34 34 ALA C C 176.315 0.300 1
347 34 34 ALA CA C 51.084 0.300 1
348 34 34 ALA CB C 16.658 0.300 1
349 34 34 ALA N N 122.193 0.300 1
350 35 35 SER H H 8.153 0.030 1
351 35 35 SER HA H 4.145 0.030 1
352 35 35 SER HB2 H 3.739 0.030 1
353 35 35 SER HB3 H 3.739 0.030 1
354 35 35 SER C C 172.083 0.300 1
355 35 35 SER CA C 57.596 0.300 1
356 35 35 SER CB C 60.978 0.300 1
357 35 35 SER N N 114.406 0.300 1
358 36 36 ASN HA H 4.486 0.030 1
359 36 36 ASN HB2 H 2.594 0.030 2
360 36 36 ASN HB3 H 2.831 0.030 2
361 36 36 ASN HD21 H 6.799 0.030 2
362 36 36 ASN HD22 H 7.502 0.030 2
363 36 36 ASN CA C 51.430 0.300 1
364 36 36 ASN CB C 35.808 0.300 1
365 36 36 ASN ND2 N 112.257 0.300 1
366 37 37 ASN HA H 4.825 0.030 1
367 37 37 ASN HB2 H 2.884 0.030 2
368 37 37 ASN HB3 H 2.626 0.030 2
369 37 37 ASN C C 172.571 0.300 1
370 37 37 ASN CA C 50.779 0.300 1
371 37 37 ASN CB C 36.818 0.300 1
372 38 38 ASN H H 7.947 0.030 1
373 38 38 ASN HA H 4.279 0.030 1
374 38 38 ASN HB2 H 2.725 0.030 2
375 38 38 ASN HB3 H 2.805 0.030 2
376 38 38 ASN HD21 H 6.741 0.030 2
377 38 38 ASN HD22 H 7.450 0.030 2
378 38 38 ASN C C 172.226 0.300 1
379 38 38 ASN CA C 51.562 0.300 1
380 38 38 ASN CB C 35.700 0.300 1
381 38 38 ASN N N 117.001 0.300 1
382 38 38 ASN ND2 N 112.156 0.300 1
383 39 39 THR H H 7.666 0.030 1
384 39 39 THR HA H 4.463 0.030 1
385 39 39 THR HB H 4.074 0.030 1
386 39 39 THR HG2 H 1.023 0.030 1
387 39 39 THR C C 170.115 0.300 1
388 39 39 THR CA C 57.881 0.300 1
389 39 39 THR CB C 67.557 0.300 1
390 39 39 THR CG2 C 18.941 0.300 1
391 39 39 THR N N 116.504 0.300 1
392 40 40 PRO HA H 4.309 0.030 1
393 40 40 PRO HB2 H 2.230 0.030 2
394 40 40 PRO HB3 H 1.715 0.030 2
395 40 40 PRO HD2 H 3.645 0.030 2
396 40 40 PRO HD3 H 3.772 0.030 2
397 40 40 PRO HG2 H 1.963 0.030 2
398 40 40 PRO HG3 H 1.903 0.030 2
399 40 40 PRO C C 174.047 0.300 1
400 40 40 PRO CA C 60.832 0.300 1
401 40 40 PRO CB C 30.111 0.300 1
402 40 40 PRO CD C 48.929 0.300 1
403 40 40 PRO CG C 25.187 0.300 1
404 41 41 ILE H H 8.217 0.030 1
405 41 41 ILE HA H 3.931 0.030 1
406 41 41 ILE HB H 1.536 0.030 1
407 41 41 ILE HD1 H 0.172 0.030 1
408 41 41 ILE HG12 H 0.957 0.030 2
409 41 41 ILE HG13 H 1.065 0.030 2
410 41 41 ILE HG2 H 0.320 0.030 1
411 41 41 ILE C C 173.559 0.300 1
412 41 41 ILE CA C 57.127 0.300 1
413 41 41 ILE CB C 36.757 0.300 1
414 41 41 ILE CD1 C 10.421 0.300 1
415 41 41 ILE CG1 C 23.869 0.300 1
416 41 41 ILE CG2 C 16.385 0.300 1
417 41 41 ILE N N 117.618 0.300 1
418 42 42 HIS H H 8.325 0.030 1
419 42 42 HIS HA H 4.475 0.030 1
420 42 42 HIS HB2 H 2.692 0.030 2
421 42 42 HIS HB3 H 2.264 0.030 2
422 42 42 HIS HD2 H 6.587 0.030 1
423 42 42 HIS HE1 H 7.708 0.030 1
424 42 42 HIS C C 173.005 0.300 1
425 42 42 HIS CA C 52.748 0.300 1
426 42 42 HIS CB C 30.302 0.300 1
427 42 42 HIS CD2 C 114.222 0.300 1
428 42 42 HIS CE1 C 136.511 0.300 1
429 42 42 HIS N N 122.085 0.300 1
430 43 43 GLY H H 6.162 0.030 1
431 43 43 GLY HA2 H 3.522 0.030 2
432 43 43 GLY HA3 H 3.154 0.030 2
433 43 43 GLY C C 166.587 0.300 1
434 43 43 GLY CA C 42.630 0.300 1
435 43 43 GLY N N 103.737 0.300 1
436 44 44 PHE H H 8.707 0.030 1
437 44 44 PHE HA H 4.913 0.030 1
438 44 44 PHE HB2 H 2.293 0.030 2
439 44 44 PHE HB3 H 2.051 0.030 2
440 44 44 PHE HD1 H 6.753 0.030 1
441 44 44 PHE HD2 H 6.753 0.030 1
442 44 44 PHE HE1 H 6.996 0.030 1
443 44 44 PHE HE2 H 6.996 0.030 1
444 44 44 PHE HZ H 7.191 0.030 1
445 44 44 PHE C C 172.223 0.300 1
446 44 44 PHE CA C 53.425 0.300 1
447 44 44 PHE CB C 40.107 0.300 1
448 44 44 PHE CD1 C 130.822 0.300 1
449 44 44 PHE CD2 C 130.822 0.300 1
450 44 44 PHE CE1 C 129.028 0.300 1
451 44 44 PHE CE2 C 129.028 0.300 1
452 44 44 PHE CZ C 127.227 0.300 1
453 44 44 PHE N N 114.155 0.300 1
454 45 45 TYR H H 8.527 0.030 1
455 45 45 TYR HA H 5.525 0.030 1
456 45 45 TYR HB2 H 2.671 0.030 2
457 45 45 TYR HB3 H 2.400 0.030 2
458 45 45 TYR HD1 H 6.776 0.030 1
459 45 45 TYR HD2 H 6.776 0.030 1
460 45 45 TYR HE1 H 6.144 0.030 1
461 45 45 TYR HE2 H 6.144 0.030 1
462 45 45 TYR C C 172.725 0.300 1
463 45 45 TYR CA C 52.234 0.300 1
464 45 45 TYR CB C 39.951 0.300 1
465 45 45 TYR CD1 C 128.882 0.300 1
466 45 45 TYR CD2 C 128.882 0.300 1
467 45 45 TYR CE1 C 115.803 0.300 1
468 45 45 TYR CE2 C 115.803 0.300 1
469 45 45 TYR N N 118.069 0.300 1
470 46 46 ILE H H 9.023 0.030 1
471 46 46 ILE HA H 4.260 0.030 1
472 46 46 ILE HB H 1.561 0.030 1
473 46 46 ILE HD1 H 0.243 0.030 1
474 46 46 ILE HG12 H 0.916 0.030 2
475 46 46 ILE HG13 H 0.748 0.030 2
476 46 46 ILE HG2 H 0.801 0.030 1
477 46 46 ILE C C 171.477 0.300 1
478 46 46 ILE CA C 58.525 0.300 1
479 46 46 ILE CB C 37.686 0.300 1
480 46 46 ILE CD1 C 12.999 0.300 1
481 46 46 ILE CG1 C 26.371 0.300 1
482 46 46 ILE CG2 C 17.521 0.300 1
483 46 46 ILE N N 123.208 0.300 1
484 47 47 TYR H H 9.507 0.030 1
485 47 47 TYR HA H 5.664 0.030 1
486 47 47 TYR HB2 H 2.475 0.030 2
487 47 47 TYR HB3 H 2.323 0.030 2
488 47 47 TYR HD1 H 6.672 0.030 1
489 47 47 TYR HD2 H 6.672 0.030 1
490 47 47 TYR HE1 H 6.576 0.030 1
491 47 47 TYR HE2 H 6.576 0.030 1
492 47 47 TYR C C 173.498 0.300 1
493 47 47 TYR CA C 53.944 0.300 1
494 47 47 TYR CB C 37.675 0.300 1
495 47 47 TYR CD1 C 130.015 0.300 1
496 47 47 TYR CD2 C 130.015 0.300 1
497 47 47 TYR CE1 C 116.187 0.300 1
498 47 47 TYR CE2 C 116.187 0.300 1
499 47 47 TYR N N 126.204 0.300 1
500 48 48 TYR H H 8.422 0.030 1
501 48 48 TYR HA H 6.302 0.030 1
502 48 48 TYR HB2 H 3.113 0.030 2
503 48 48 TYR HB3 H 2.505 0.030 2
504 48 48 TYR HD1 H 6.568 0.030 1
505 48 48 TYR HD2 H 6.568 0.030 1
506 48 48 TYR HE1 H 6.465 0.030 1
507 48 48 TYR HE2 H 6.465 0.030 1
508 48 48 TYR C C 172.888 0.300 1
509 48 48 TYR CA C 52.628 0.300 1
510 48 48 TYR CB C 38.105 0.300 1
511 48 48 TYR CD1 C 131.572 0.300 1
512 48 48 TYR CD2 C 131.572 0.300 1
513 48 48 TYR CE1 C 115.655 0.300 1
514 48 48 TYR CE2 C 115.655 0.300 1
515 48 48 TYR N N 114.526 0.300 1
516 49 49 ARG H H 8.813 0.030 1
517 49 49 ARG HA H 5.213 0.030 1
518 49 49 ARG HB2 H 1.273 0.030 2
519 49 49 ARG HB3 H 1.340 0.030 2
520 49 49 ARG HD2 H 2.365 0.030 2
521 49 49 ARG HD3 H 1.096 0.030 2
522 49 49 ARG HE H 7.206 0.030 1
523 49 49 ARG HG2 H 1.136 0.030 2
524 49 49 ARG HG3 H 1.250 0.030 2
525 49 49 ARG C C 169.168 0.300 1
526 49 49 ARG CA C 51.252 0.300 1
527 49 49 ARG CB C 29.850 0.300 1
528 49 49 ARG CD C 40.578 0.300 1
529 49 49 ARG CG C 22.278 0.300 1
530 49 49 ARG N N 119.193 0.300 1
531 49 49 ARG NE N 85.695 0.300 1
532 50 50 PRO HA H 4.217 0.030 1
533 50 50 PRO HB2 H 1.888 0.030 2
534 50 50 PRO HB3 H 1.596 0.030 2
535 50 50 PRO HD2 H 3.420 0.030 2
536 50 50 PRO HD3 H 3.992 0.030 2
537 50 50 PRO HG2 H 2.059 0.030 2
538 50 50 PRO HG3 H 1.650 0.030 2
539 50 50 PRO C C 175.079 0.300 1
540 50 50 PRO CA C 60.689 0.300 1
541 50 50 PRO CB C 29.131 0.300 1
542 50 50 PRO CD C 48.487 0.300 1
543 50 50 PRO CG C 25.823 0.300 1
544 51 51 THR H H 8.895 0.030 1
545 51 51 THR HA H 3.691 0.030 1
546 51 51 THR HB H 3.442 0.030 1
547 51 51 THR HG2 H 1.127 0.030 1
548 51 51 THR C C 172.583 0.300 1
549 51 51 THR CA C 62.826 0.300 1
550 51 51 THR CB C 68.007 0.300 1
551 51 51 THR CG2 C 19.501 0.300 1
552 51 51 THR N N 124.711 0.300 1
553 52 52 ASP H H 8.369 0.030 1
554 52 52 ASP HA H 4.357 0.030 1
555 52 52 ASP HB2 H 2.557 0.030 2
556 52 52 ASP HB3 H 2.471 0.030 2
557 52 52 ASP C C 173.446 0.300 1
558 52 52 ASP CA C 51.932 0.300 1
559 52 52 ASP CB C 37.599 0.300 1
560 52 52 ASP N N 118.252 0.300 1
561 53 53 SER H H 7.516 0.030 1
562 53 53 SER HA H 4.210 0.030 1
563 53 53 SER HB2 H 3.623 0.030 1
564 53 53 SER HB3 H 3.623 0.030 1
565 53 53 SER C C 171.779 0.300 1
566 53 53 SER CA C 56.178 0.300 1
567 53 53 SER CB C 61.621 0.300 1
568 53 53 SER N N 114.971 0.300 1
569 54 54 ASP H H 8.265 0.030 1
570 54 54 ASP HA H 4.499 0.030 1
571 54 54 ASP HB2 H 2.518 0.030 2
572 54 54 ASP HB3 H 2.552 0.030 2
573 54 54 ASP C C 174.077 0.300 1
574 54 54 ASP CA C 51.392 0.300 1
575 54 54 ASP CB C 39.253 0.300 1
576 54 54 ASP N N 122.729 0.300 1
577 55 55 ASN H H 8.215 0.030 1
578 55 55 ASN HA H 4.573 0.030 1
579 55 55 ASN HB2 H 2.548 0.030 2
580 55 55 ASN HB3 H 2.683 0.030 2
581 55 55 ASN HD21 H 6.822 0.030 2
582 55 55 ASN HD22 H 7.557 0.030 2
583 55 55 ASN C C 173.953 0.300 1
584 55 55 ASN CA C 51.208 0.300 1
585 55 55 ASN CB C 37.222 0.300 1
586 55 55 ASN N N 118.219 0.300 1
587 55 55 ASN ND2 N 113.374 0.300 1
588 56 56 ASP HA H 4.411 0.030 1
589 56 56 ASP HB2 H 2.646 0.030 2
590 56 56 ASP HB3 H 2.560 0.030 2
591 56 56 ASP C C 174.692 0.300 1
592 56 56 ASP CA C 53.335 0.300 1
593 56 56 ASP CB C 37.971 0.300 1
594 57 57 SER H H 7.997 0.030 1
595 57 57 SER HA H 4.259 0.030 1
596 57 57 SER HB2 H 3.767 0.030 1
597 57 57 SER HB3 H 3.767 0.030 1
598 57 57 SER C C 171.963 0.300 1
599 57 57 SER CA C 57.054 0.300 1
600 57 57 SER CB C 61.132 0.300 1
601 57 57 SER N N 114.792 0.300 1
602 58 58 ASP H H 7.912 0.030 1
603 58 58 ASP HA H 4.512 0.030 1
604 58 58 ASP HB2 H 2.571 0.030 2
605 58 58 ASP HB3 H 2.499 0.030 2
606 58 58 ASP C C 174.418 0.300 1
607 58 58 ASP CA C 52.318 0.300 1
608 58 58 ASP CB C 38.850 0.300 1
609 58 58 ASP N N 120.098 0.300 1
610 59 59 TYR H H 7.829 0.030 1
611 59 59 TYR HA H 4.226 0.030 1
612 59 59 TYR HB2 H 2.921 0.030 2
613 59 59 TYR HB3 H 2.777 0.030 2
614 59 59 TYR HD1 H 7.045 0.030 1
615 59 59 TYR HD2 H 7.045 0.030 1
616 59 59 TYR HE1 H 6.518 0.030 1
617 59 59 TYR HE2 H 6.518 0.030 1
618 59 59 TYR C C 174.951 0.300 1
619 59 59 TYR CA C 57.434 0.300 1
620 59 59 TYR CB C 36.909 0.300 1
621 59 59 TYR CD1 C 131.295 0.300 1
622 59 59 TYR CD2 C 131.295 0.300 1
623 59 59 TYR CE1 C 115.481 0.300 1
624 59 59 TYR CE2 C 115.481 0.300 1
625 59 59 TYR N N 117.303 0.300 1
626 60 60 LYS H H 8.201 0.030 1
627 60 60 LYS HA H 4.153 0.030 1
628 60 60 LYS HB2 H 1.279 0.030 2
629 60 60 LYS HB3 H 0.699 0.030 2
630 60 60 LYS HD2 H 1.625 0.030 1
631 60 60 LYS HD3 H 1.625 0.030 1
632 60 60 LYS HE2 H 3.001 0.030 1
633 60 60 LYS HE3 H 3.001 0.030 1
634 60 60 LYS HG2 H 1.356 0.030 2
635 60 60 LYS HG3 H 1.244 0.030 2
636 60 60 LYS C C 171.678 0.300 1
637 60 60 LYS CA C 53.281 0.300 1
638 60 60 LYS CB C 31.345 0.300 1
639 60 60 LYS CD C 26.671 0.300 1
640 60 60 LYS CE C 40.109 0.300 1
641 60 60 LYS CG C 23.527 0.300 1
642 60 60 LYS N N 123.674 0.300 1
643 61 61 LYS H H 7.751 0.030 1
644 61 61 LYS HA H 5.119 0.030 1
645 61 61 LYS HB2 H 1.117 0.030 2
646 61 61 LYS HB3 H 0.907 0.030 2
647 61 61 LYS HD2 H 0.612 0.030 2
648 61 61 LYS HD3 H 0.789 0.030 2
649 61 61 LYS HE2 H 1.889 0.030 2
650 61 61 LYS HE3 H 2.019 0.030 2
651 61 61 LYS HG2 H 0.170 0.030 2
652 61 61 LYS HG3 H 0.363 0.030 2
653 61 61 LYS C C 172.948 0.300 1
654 61 61 LYS CA C 52.053 0.300 1
655 61 61 LYS CB C 33.855 0.300 1
656 61 61 LYS CD C 27.425 0.300 1
657 61 61 LYS CE C 38.888 0.300 1
658 61 61 LYS CG C 21.280 0.300 1
659 61 61 LYS N N 118.629 0.300 1
660 62 62 ASP H H 9.244 0.030 1
661 62 62 ASP HA H 5.007 0.030 1
662 62 62 ASP HB2 H 2.525 0.030 2
663 62 62 ASP HB3 H 2.348 0.030 2
664 62 62 ASP C C 172.478 0.300 1
665 62 62 ASP CA C 50.094 0.300 1
666 62 62 ASP CB C 40.643 0.300 1
667 62 62 ASP N N 126.511 0.300 1
668 63 63 MET H H 8.626 0.030 1
669 63 63 MET HA H 5.208 0.030 1
670 63 63 MET HB2 H 1.911 0.030 2
671 63 63 MET HB3 H 2.015 0.030 2
672 63 63 MET HE H 1.979 0.030 1
673 63 63 MET HG2 H 2.298 0.030 2
674 63 63 MET HG3 H 2.515 0.030 2
675 63 63 MET C C 172.541 0.300 1
676 63 63 MET CA C 52.841 0.300 1
677 63 63 MET CB C 32.492 0.300 1
678 63 63 MET CE C 15.066 0.300 1
679 63 63 MET CG C 29.968 0.300 1
680 63 63 MET N N 122.108 0.300 1
681 64 64 VAL H H 8.827 0.030 1
682 64 64 VAL HA H 4.242 0.030 1
683 64 64 VAL HB H 1.789 0.030 1
684 64 64 VAL HG1 H 0.885 0.030 1
685 64 64 VAL HG2 H 0.480 0.030 1
686 64 64 VAL C C 172.069 0.300 1
687 64 64 VAL CA C 58.246 0.300 1
688 64 64 VAL CB C 33.369 0.300 1
689 64 64 VAL CG1 C 18.992 0.300 2
690 64 64 VAL CG2 C 18.802 0.300 2
691 64 64 VAL N N 124.135 0.300 1
692 65 65 GLU H H 8.985 0.030 1
693 65 65 GLU HA H 4.201 0.030 1
694 65 65 GLU HB2 H 2.147 0.030 2
695 65 65 GLU HB3 H 1.976 0.030 2
696 65 65 GLU HG2 H 2.344 0.030 1
697 65 65 GLU HG3 H 2.344 0.030 1
698 65 65 GLU C C 174.153 0.300 1
699 65 65 GLU CA C 55.362 0.300 1
700 65 65 GLU CB C 28.068 0.300 1
701 65 65 GLU CG C 34.569 0.300 1
702 65 65 GLU N N 124.166 0.300 1
703 66 66 GLY H H 7.646 0.030 1
704 66 66 GLY HA2 H 3.405 0.030 2
705 66 66 GLY HA3 H 3.294 0.030 2
706 66 66 GLY C C 170.062 0.300 1
707 66 66 GLY CA C 43.939 0.300 1
708 66 66 GLY N N 103.990 0.300 1
709 67 67 ASP H H 7.913 0.030 1
710 67 67 ASP HA H 4.663 0.030 1
711 67 67 ASP HB2 H 2.826 0.030 2
712 67 67 ASP HB3 H 2.534 0.030 2
713 67 67 ASP C C 172.933 0.300 1
714 67 67 ASP CA C 50.343 0.300 1
715 67 67 ASP CB C 37.766 0.300 1
716 67 67 ASP N N 115.584 0.300 1
717 68 68 ARG H H 7.385 0.030 1
718 68 68 ARG HA H 4.184 0.030 1
719 68 68 ARG HB2 H 1.586 0.030 2
720 68 68 ARG HB3 H 1.512 0.030 2
721 68 68 ARG HD2 H 2.640 0.030 2
722 68 68 ARG HD3 H 2.836 0.030 2
723 68 68 ARG HE H 7.058 0.030 1
724 68 68 ARG HG2 H 1.407 0.030 2
725 68 68 ARG HG3 H 1.248 0.030 2
726 68 68 ARG C C 171.380 0.300 1
727 68 68 ARG CA C 52.604 0.300 1
728 68 68 ARG CB C 30.041 0.300 1
729 68 68 ARG CD C 40.767 0.300 1
730 68 68 ARG CG C 25.181 0.300 1
731 68 68 ARG N N 120.838 0.300 1
732 68 68 ARG NE N 84.125 0.300 1
733 69 69 TYR H H 7.274 0.030 1
734 69 69 TYR HA H 3.095 0.030 1
735 69 69 TYR HB2 H 2.928 0.030 2
736 69 69 TYR HB3 H 2.275 0.030 2
737 69 69 TYR HD1 H 6.807 0.030 1
738 69 69 TYR HD2 H 6.807 0.030 1
739 69 69 TYR HE1 H 6.833 0.030 1
740 69 69 TYR HE2 H 6.833 0.030 1
741 69 69 TYR C C 170.803 0.300 1
742 69 69 TYR CA C 53.770 0.300 1
743 69 69 TYR CB C 35.138 0.300 1
744 69 69 TYR CD1 C 130.851 0.300 1
745 69 69 TYR CD2 C 130.851 0.300 1
746 69 69 TYR CE1 C 115.684 0.300 1
747 69 69 TYR CE2 C 115.684 0.300 1
748 69 69 TYR N N 116.545 0.300 1
749 70 70 TRP H H 6.367 0.030 1
750 70 70 TRP HA H 4.893 0.030 1
751 70 70 TRP HB2 H 3.205 0.030 2
752 70 70 TRP HB3 H 2.865 0.030 2
753 70 70 TRP HD1 H 6.823 0.030 1
754 70 70 TRP HE1 H 10.068 0.030 1
755 70 70 TRP HE3 H 7.168 0.030 1
756 70 70 TRP HH2 H 7.096 0.030 1
757 70 70 TRP HZ2 H 7.366 0.030 1
758 70 70 TRP HZ3 H 6.985 0.030 1
759 70 70 TRP C C 171.748 0.300 1
760 70 70 TRP CA C 53.136 0.300 1
761 70 70 TRP CB C 29.419 0.300 1
762 70 70 TRP CD1 C 124.883 0.300 1
763 70 70 TRP CE3 C 118.195 0.300 1
764 70 70 TRP CH2 C 122.165 0.300 1
765 70 70 TRP CZ2 C 112.429 0.300 1
766 70 70 TRP CZ3 C 119.516 0.300 1
767 70 70 TRP N N 115.889 0.300 1
768 70 70 TRP NE1 N 129.410 0.300 1
769 71 71 HIS H H 8.943 0.030 1
770 71 71 HIS HA H 4.493 0.030 1
771 71 71 HIS HB2 H 3.424 0.030 2
772 71 71 HIS HB3 H 2.662 0.030 2
773 71 71 HIS HD2 H 6.292 0.030 1
774 71 71 HIS HE1 H 7.723 0.030 1
775 71 71 HIS C C 170.096 0.300 1
776 71 71 HIS CA C 54.047 0.300 1
777 71 71 HIS CB C 32.618 0.300 1
778 71 71 HIS CD2 C 114.658 0.300 1
779 71 71 HIS CE1 C 137.828 0.300 1
780 71 71 HIS N N 117.724 0.300 1
781 72 72 SER H H 6.866 0.030 1
782 72 72 SER HA H 5.130 0.030 1
783 72 72 SER HB2 H 3.390 0.030 2
784 72 72 SER HB3 H 3.281 0.030 2
785 72 72 SER C C 170.089 0.300 1
786 72 72 SER CA C 54.162 0.300 1
787 72 72 SER CB C 61.742 0.300 1
788 72 72 SER N N 120.021 0.300 1
789 73 73 ILE H H 8.968 0.030 1
790 73 73 ILE HA H 3.655 0.030 1
791 73 73 ILE HB H 1.065 0.030 1
792 73 73 ILE HD1 H 0.210 0.030 1
793 73 73 ILE HG12 H 0.448 0.030 2
794 73 73 ILE HG13 H 1.294 0.030 2
795 73 73 ILE HG2 H -0.049 0.030 1
796 73 73 ILE C C 172.291 0.300 1
797 73 73 ILE CA C 58.453 0.300 1
798 73 73 ILE CB C 36.968 0.300 1
799 73 73 ILE CD1 C 11.779 0.300 1
800 73 73 ILE CG1 C 24.417 0.300 1
801 73 73 ILE CG2 C 15.334 0.300 1
802 73 73 ILE N N 125.415 0.300 1
803 74 74 SER H H 8.173 0.030 1
804 74 74 SER HA H 5.041 0.030 1
805 74 74 SER HB2 H 3.451 0.030 2
806 74 74 SER HB3 H 3.244 0.030 2
807 74 74 SER C C 170.884 0.300 1
808 74 74 SER CA C 54.625 0.300 1
809 74 74 SER CB C 63.459 0.300 1
810 74 74 SER N N 119.688 0.300 1
811 75 75 HIS H H 8.510 0.030 1
812 75 75 HIS HA H 4.079 0.030 1
813 75 75 HIS HB2 H 3.262 0.030 1
814 75 75 HIS HB3 H 3.262 0.030 1
815 75 75 HIS HD2 H 7.005 0.030 1
816 75 75 HIS HE1 H 7.965 0.030 1
817 75 75 HIS C C 172.863 0.300 1
818 75 75 HIS CA C 54.905 0.300 1
819 75 75 HIS CB C 24.352 0.300 1
820 75 75 HIS CD2 C 117.750 0.300 1
821 75 75 HIS CE1 C 135.327 0.300 1
822 75 75 HIS N N 111.614 0.300 1
823 76 76 LEU H H 8.673 0.030 1
824 76 76 LEU HA H 4.316 0.030 1
825 76 76 LEU HB2 H 1.201 0.030 2
826 76 76 LEU HB3 H 0.989 0.030 2
827 76 76 LEU HD1 H -0.238 0.030 1
828 76 76 LEU HD2 H 0.040 0.030 1
829 76 76 LEU HG H 0.947 0.030 1
830 76 76 LEU C C 173.493 0.300 1
831 76 76 LEU CA C 51.116 0.300 1
832 76 76 LEU CB C 38.913 0.300 1
833 76 76 LEU CD1 C 22.707 0.300 2
834 76 76 LEU CD2 C 17.814 0.300 2
835 76 76 LEU CG C 23.410 0.300 1
836 76 76 LEU N N 118.363 0.300 1
837 77 77 GLN H H 8.168 0.030 1
838 77 77 GLN HA H 4.653 0.030 1
839 77 77 GLN HB2 H 2.009 0.030 2
840 77 77 GLN HB3 H 1.942 0.030 2
841 77 77 GLN HE21 H 6.814 0.030 2
842 77 77 GLN HE22 H 7.592 0.030 2
843 77 77 GLN HG2 H 2.405 0.030 1
844 77 77 GLN HG3 H 2.405 0.030 1
845 77 77 GLN C C 172.083 0.300 1
846 77 77 GLN CA C 50.501 0.300 1
847 77 77 GLN CB C 27.825 0.300 1
848 77 77 GLN CG C 31.298 0.300 1
849 77 77 GLN N N 117.675 0.300 1
850 77 77 GLN NE2 N 112.809 0.300 1
851 78 78 PRO HA H 5.278 0.030 1
852 78 78 PRO HB2 H 2.279 0.030 2
853 78 78 PRO HB3 H 1.788 0.030 2
854 78 78 PRO HD2 H 3.493 0.030 2
855 78 78 PRO HD3 H 3.816 0.030 2
856 78 78 PRO HG2 H 1.913 0.030 2
857 78 78 PRO HG3 H 1.713 0.030 2
858 78 78 PRO C C 175.103 0.300 1
859 78 78 PRO CA C 60.601 0.300 1
860 78 78 PRO CB C 31.281 0.300 1
861 78 78 PRO CD C 48.747 0.300 1
862 78 78 PRO CG C 25.105 0.300 1
863 79 79 GLU H H 7.840 0.030 1
864 79 79 GLU HA H 3.632 0.030 1
865 79 79 GLU HB2 H 2.098 0.030 2
866 79 79 GLU HB3 H 1.747 0.030 2
867 79 79 GLU HG2 H 2.161 0.030 2
868 79 79 GLU HG3 H 2.121 0.030 2
869 79 79 GLU C C 172.190 0.300 1
870 79 79 GLU CA C 53.926 0.300 1
871 79 79 GLU CB C 27.478 0.300 1
872 79 79 GLU CG C 35.238 0.300 1
873 79 79 GLU N N 125.660 0.300 1
874 80 80 THR H H 8.023 0.030 1
875 80 80 THR HA H 4.405 0.030 1
876 80 80 THR HB H 3.916 0.030 1
877 80 80 THR HG2 H 0.637 0.030 1
878 80 80 THR C C 169.743 0.300 1
879 80 80 THR CA C 60.147 0.300 1
880 80 80 THR CB C 69.681 0.300 1
881 80 80 THR CG2 C 16.955 0.300 1
882 80 80 THR N N 114.023 0.300 1
883 81 81 SER H H 8.359 0.030 1
884 81 81 SER HA H 4.506 0.030 1
885 81 81 SER HB2 H 3.531 0.030 2
886 81 81 SER HB3 H 3.614 0.030 2
887 81 81 SER C C 171.885 0.300 1
888 81 81 SER CA C 55.877 0.300 1
889 81 81 SER CB C 61.334 0.300 1
890 81 81 SER N N 119.380 0.300 1
891 82 82 TYR H H 9.161 0.030 1
892 82 82 TYR HA H 4.698 0.030 1
893 82 82 TYR HB2 H 2.636 0.030 2
894 82 82 TYR HB3 H 2.577 0.030 2
895 82 82 TYR HE1 H 6.771 0.030 1
896 82 82 TYR HE2 H 6.771 0.030 1
897 82 82 TYR C C 170.966 0.300 1
898 82 82 TYR CA C 56.848 0.300 1
899 82 82 TYR CB C 38.980 0.300 1
900 82 82 TYR CE1 C 116.238 0.300 1
901 82 82 TYR CE2 C 116.238 0.300 1
902 82 82 TYR N N 128.631 0.300 1
903 83 83 ASP H H 8.817 0.030 1
904 83 83 ASP HA H 5.018 0.030 1
905 83 83 ASP HB2 H 2.516 0.030 2
906 83 83 ASP HB3 H 2.386 0.030 2
907 83 83 ASP C C 174.118 0.300 1
908 83 83 ASP CA C 50.713 0.300 1
909 83 83 ASP CB C 39.600 0.300 1
910 83 83 ASP N N 120.481 0.300 1
911 84 84 ILE H H 8.960 0.030 1
912 84 84 ILE HA H 5.280 0.030 1
913 84 84 ILE HB H 1.468 0.030 1
914 84 84 ILE HD1 H 0.651 0.030 1
915 84 84 ILE HG12 H 1.557 0.030 2
916 84 84 ILE HG13 H 0.823 0.030 2
917 84 84 ILE HG2 H 0.797 0.030 1
918 84 84 ILE C C 171.987 0.300 1
919 84 84 ILE CA C 57.717 0.300 1
920 84 84 ILE CB C 39.970 0.300 1
921 84 84 ILE CD1 C 13.181 0.300 1
922 84 84 ILE CG1 C 25.593 0.300 1
923 84 84 ILE CG2 C 16.501 0.300 1
924 84 84 ILE N N 121.720 0.300 1
925 85 85 LYS H H 8.918 0.030 1
926 85 85 LYS HA H 4.736 0.030 1
927 85 85 LYS HB2 H 1.560 0.030 2
928 85 85 LYS HB3 H 1.779 0.030 2
929 85 85 LYS HD2 H 1.005 0.030 2
930 85 85 LYS HD3 H 0.558 0.030 2
931 85 85 LYS HE2 H 1.311 0.030 2
932 85 85 LYS HE3 H 0.668 0.030 2
933 85 85 LYS HG2 H 0.514 0.030 2
934 85 85 LYS HG3 H 0.920 0.030 2
935 85 85 LYS C C 171.531 0.300 1
936 85 85 LYS CA C 52.853 0.300 1
937 85 85 LYS CB C 34.049 0.300 1
938 85 85 LYS CD C 27.674 0.300 1
939 85 85 LYS CE C 38.488 0.300 1
940 85 85 LYS CG C 20.725 0.300 1
941 85 85 LYS N N 119.574 0.300 1
942 86 86 MET H H 9.280 0.030 1
943 86 86 MET HA H 5.846 0.030 1
944 86 86 MET HB2 H 1.973 0.030 2
945 86 86 MET HB3 H 1.680 0.030 2
946 86 86 MET HE H -0.325 0.030 1
947 86 86 MET HG2 H 2.209 0.030 2
948 86 86 MET HG3 H 1.730 0.030 2
949 86 86 MET C C 172.169 0.300 1
950 86 86 MET CA C 53.225 0.300 1
951 86 86 MET CB C 37.024 0.300 1
952 86 86 MET CE C 11.949 0.300 1
953 86 86 MET CG C 27.777 0.300 1
954 86 86 MET N N 115.729 0.300 1
955 87 87 GLN H H 8.976 0.030 1
956 87 87 GLN HA H 4.506 0.030 1
957 87 87 GLN HB2 H 1.932 0.030 1
958 87 87 GLN HB3 H 1.932 0.030 1
959 87 87 GLN HE21 H 6.612 0.030 2
960 87 87 GLN HE22 H 6.374 0.030 2
961 87 87 GLN HG2 H 1.864 0.030 1
962 87 87 GLN HG3 H 1.864 0.030 1
963 87 87 GLN C C 173.168 0.300 1
964 87 87 GLN CA C 52.447 0.300 1
965 87 87 GLN CB C 32.567 0.300 1
966 87 87 GLN CG C 32.040 0.300 1
967 87 87 GLN N N 115.024 0.300 1
968 87 87 GLN NE2 N 113.206 0.300 1
969 88 88 CYS H H 8.947 0.030 1
970 88 88 CYS HA H 5.206 0.030 1
971 88 88 CYS HB2 H 2.500 0.030 2
972 88 88 CYS HB3 H 2.339 0.030 2
973 88 88 CYS C C 170.112 0.300 1
974 88 88 CYS CA C 52.924 0.300 1
975 88 88 CYS CB C 28.814 0.300 1
976 88 88 CYS N N 117.064 0.300 1
977 89 89 PHE H H 7.627 0.030 1
978 89 89 PHE HA H 5.293 0.030 1
979 89 89 PHE HB2 H 3.053 0.030 2
980 89 89 PHE HB3 H 2.477 0.030 2
981 89 89 PHE HD1 H 6.092 0.030 1
982 89 89 PHE HD2 H 6.092 0.030 1
983 89 89 PHE HE1 H 6.485 0.030 1
984 89 89 PHE HE2 H 6.485 0.030 1
985 89 89 PHE HZ H 6.755 0.030 1
986 89 89 PHE C C 170.729 0.300 1
987 89 89 PHE CA C 54.174 0.300 1
988 89 89 PHE CB C 40.569 0.300 1
989 89 89 PHE CD1 C 129.616 0.300 1
990 89 89 PHE CD2 C 129.616 0.300 1
991 89 89 PHE CE1 C 127.905 0.300 1
992 89 89 PHE CE2 C 127.905 0.300 1
993 89 89 PHE CZ C 126.386 0.300 1
994 89 89 PHE N N 115.182 0.300 1
995 90 90 ASN H H 8.698 0.030 1
996 90 90 ASN HA H 3.873 0.030 1
997 90 90 ASN HB2 H 2.686 0.030 1
998 90 90 ASN HB3 H 2.686 0.030 1
999 90 90 ASN HD21 H 7.447 0.030 2
1000 90 90 ASN HD22 H 6.775 0.030 2
1001 90 90 ASN C C 172.545 0.300 1
1002 90 90 ASN CA C 49.715 0.300 1
1003 90 90 ASN CB C 36.127 0.300 1
1004 90 90 ASN N N 118.769 0.300 1
1005 90 90 ASN ND2 N 110.452 0.300 1
1006 91 91 GLU H H 8.785 0.030 1
1007 91 91 GLU HA H 4.067 0.030 1
1008 91 91 GLU HB2 H 1.970 0.030 1
1009 91 91 GLU HB3 H 1.970 0.030 1
1010 91 91 GLU HG2 H 2.154 0.030 2
1011 91 91 GLU HG3 H 2.267 0.030 2
1012 91 91 GLU C C 174.805 0.300 1
1013 91 91 GLU CA C 56.639 0.300 1
1014 91 91 GLU CB C 26.567 0.300 1
1015 91 91 GLU CG C 33.715 0.300 1
1016 91 91 GLU N N 118.565 0.300 1
1017 92 92 GLY H H 8.266 0.030 1
1018 92 92 GLY HA2 H 4.082 0.030 2
1019 92 92 GLY HA3 H 3.448 0.030 2
1020 92 92 GLY C C 171.589 0.300 1
1021 92 92 GLY CA C 42.736 0.300 1
1022 92 92 GLY N N 106.735 0.300 1
1023 93 93 GLY H H 7.442 0.030 1
1024 93 93 GLY HA2 H 4.416 0.030 2
1025 93 93 GLY HA3 H 3.734 0.030 2
1026 93 93 GLY C C 168.950 0.300 1
1027 93 93 GLY CA C 42.376 0.300 1
1028 93 93 GLY N N 106.765 0.300 1
1029 94 94 GLU H H 8.015 0.030 1
1030 94 94 GLU HA H 4.857 0.030 1
1031 94 94 GLU HB2 H 1.867 0.030 1
1032 94 94 GLU HB3 H 1.867 0.030 1
1033 94 94 GLU HG2 H 2.217 0.030 2
1034 94 94 GLU HG3 H 2.079 0.030 2
1035 94 94 GLU C C 173.909 0.300 1
1036 94 94 GLU CA C 52.611 0.300 1
1037 94 94 GLU CB C 30.362 0.300 1
1038 94 94 GLU CG C 34.326 0.300 1
1039 94 94 GLU N N 116.532 0.300 1
1040 95 95 SER H H 8.518 0.030 1
1041 95 95 SER HA H 4.385 0.030 1
1042 95 95 SER HB2 H 4.105 0.030 2
1043 95 95 SER HB3 H 3.678 0.030 2
1044 95 95 SER C C 172.387 0.300 1
1045 95 95 SER CA C 55.842 0.300 1
1046 95 95 SER CB C 65.102 0.300 1
1047 95 95 SER N N 116.075 0.300 1
1048 96 96 GLU H H 8.528 0.030 1
1049 96 96 GLU HA H 4.159 0.030 1
1050 96 96 GLU HB2 H 2.122 0.030 2
1051 96 96 GLU HB3 H 2.007 0.030 2
1052 96 96 GLU HG2 H 2.445 0.030 2
1053 96 96 GLU HG3 H 2.336 0.030 2
1054 96 96 GLU C C 175.587 0.300 1
1055 96 96 GLU CA C 54.303 0.300 1
1056 96 96 GLU CB C 28.100 0.300 1
1057 96 96 GLU CG C 34.026 0.300 1
1058 96 96 GLU N N 116.767 0.300 1
1059 97 97 PHE H H 8.725 0.030 1
1060 97 97 PHE HA H 4.697 0.030 1
1061 97 97 PHE HB2 H 3.126 0.030 2
1062 97 97 PHE HB3 H 2.874 0.030 2
1063 97 97 PHE HD1 H 6.960 0.030 1
1064 97 97 PHE HD2 H 6.960 0.030 1
1065 97 97 PHE HE1 H 6.578 0.030 1
1066 97 97 PHE HE2 H 6.578 0.030 1
1067 97 97 PHE HZ H 6.487 0.030 1
1068 97 97 PHE C C 175.675 0.300 1
1069 97 97 PHE CA C 57.435 0.300 1
1070 97 97 PHE CB C 38.815 0.300 1
1071 97 97 PHE CD1 C 128.777 0.300 1
1072 97 97 PHE CD2 C 128.777 0.300 1
1073 97 97 PHE CE1 C 128.960 0.300 1
1074 97 97 PHE CE2 C 128.960 0.300 1
1075 97 97 PHE CZ C 128.035 0.300 1
1076 97 97 PHE N N 119.462 0.300 1
1077 98 98 SER H H 9.058 0.030 1
1078 98 98 SER HA H 4.723 0.030 1
1079 98 98 SER HB2 H 3.516 0.030 1
1080 98 98 SER HB3 H 3.516 0.030 1
1081 98 98 SER C C 170.519 0.300 1
1082 98 98 SER CA C 55.772 0.300 1
1083 98 98 SER CB C 64.788 0.300 1
1084 98 98 SER N N 114.426 0.300 1
1085 99 99 ASN H H 9.041 0.030 1
1086 99 99 ASN HA H 4.433 0.030 1
1087 99 99 ASN HB2 H 2.882 0.030 2
1088 99 99 ASN HB3 H 2.709 0.030 2
1089 99 99 ASN HD21 H 6.944 0.030 2
1090 99 99 ASN HD22 H 7.524 0.030 2
1091 99 99 ASN C C 171.900 0.300 1
1092 99 99 ASN CA C 52.394 0.300 1
1093 99 99 ASN CB C 33.513 0.300 1
1094 99 99 ASN N N 111.483 0.300 1
1095 99 99 ASN ND2 N 115.510 0.300 1
1096 100 100 VAL H H 8.451 0.030 1
1097 100 100 VAL HA H 4.610 0.030 1
1098 100 100 VAL HB H 1.819 0.030 1
1099 100 100 VAL HG1 H 0.744 0.030 1
1100 100 100 VAL HG2 H 0.825 0.030 1
1101 100 100 VAL C C 174.750 0.300 1
1102 100 100 VAL CA C 58.991 0.300 1
1103 100 100 VAL CB C 30.256 0.300 1
1104 100 100 VAL CG1 C 18.532 0.300 2
1105 100 100 VAL CG2 C 19.539 0.300 2
1106 100 100 VAL N N 122.350 0.300 1
1107 101 101 MET H H 9.246 0.030 1
1108 101 101 MET HA H 4.829 0.030 1
1109 101 101 MET HB2 H 1.855 0.030 2
1110 101 101 MET HB3 H 1.565 0.030 2
1111 101 101 MET HE H 1.902 0.030 1
1112 101 101 MET HG2 H 2.261 0.030 1
1113 101 101 MET HG3 H 2.261 0.030 1
1114 101 101 MET C C 171.479 0.300 1
1115 101 101 MET CA C 50.484 0.300 1
1116 101 101 MET CB C 33.548 0.300 1
1117 101 101 MET CE C 15.237 0.300 1
1118 101 101 MET CG C 30.137 0.300 1
1119 101 101 MET N N 127.793 0.300 1
1120 102 102 ILE H H 8.049 0.030 1
1121 102 102 ILE HA H 5.327 0.030 1
1122 102 102 ILE HB H 1.500 0.030 1
1123 102 102 ILE HD1 H 0.732 0.030 1
1124 102 102 ILE HG12 H 1.107 0.030 2
1125 102 102 ILE HG13 H 1.372 0.030 2
1126 102 102 ILE HG2 H 0.696 0.030 1
1127 102 102 ILE C C 174.559 0.300 1
1128 102 102 ILE CA C 57.355 0.300 1
1129 102 102 ILE CB C 37.689 0.300 1
1130 102 102 ILE CD1 C 11.743 0.300 1
1131 102 102 ILE CG1 C 25.017 0.300 1
1132 102 102 ILE CG2 C 15.324 0.300 1
1133 102 102 ILE N N 120.547 0.300 1
1134 103 103 CYS H H 9.088 0.030 1
1135 103 103 CYS HA H 4.509 0.030 1
1136 103 103 CYS HB2 H 2.612 0.030 2
1137 103 103 CYS HB3 H 2.325 0.030 2
1138 103 103 CYS C C 169.334 0.300 1
1139 103 103 CYS CA C 56.063 0.300 1
1140 103 103 CYS CB C 27.960 0.300 1
1141 103 103 CYS N N 127.385 0.300 1
1142 104 104 GLU H H 8.536 0.030 1
1143 104 104 GLU HA H 5.480 0.030 1
1144 104 104 GLU HB2 H 1.864 0.030 2
1145 104 104 GLU HB3 H 1.725 0.030 2
1146 104 104 GLU HG2 H 1.892 0.030 2
1147 104 104 GLU HG3 H 2.193 0.030 2
1148 104 104 GLU C C 174.902 0.300 1
1149 104 104 GLU CA C 51.620 0.300 1
1150 104 104 GLU CB C 29.968 0.300 1
1151 104 104 GLU CG C 33.695 0.300 1
1152 104 104 GLU N N 129.514 0.300 1
1153 105 105 THR H H 8.424 0.030 1
1154 105 105 THR HA H 3.905 0.030 1
1155 105 105 THR HB H 4.460 0.030 1
1156 105 105 THR HG2 H 1.041 0.030 1
1157 105 105 THR C C 172.603 0.300 1
1158 105 105 THR CA C 59.153 0.300 1
1159 105 105 THR CB C 67.112 0.300 1
1160 105 105 THR CG2 C 22.354 0.300 1
1161 105 105 THR N N 113.048 0.300 1
1162 106 106 LYS H H 6.434 0.030 1
1163 106 106 LYS HA H 4.069 0.030 1
1164 106 106 LYS HB2 H 1.928 0.030 2
1165 106 106 LYS HB3 H 1.112 0.030 2
1166 106 106 LYS HD2 H 1.449 0.030 2
1167 106 106 LYS HD3 H 1.552 0.030 2
1168 106 106 LYS HE2 H 2.827 0.030 1
1169 106 106 LYS HE3 H 2.827 0.030 1
1170 106 106 LYS HG2 H 1.214 0.030 1
1171 106 106 LYS HG3 H 1.214 0.030 1
1172 106 106 LYS C C 172.997 0.300 1
1173 106 106 LYS CA C 53.855 0.300 1
1174 106 106 LYS CB C 31.222 0.300 1
1175 106 106 LYS CD C 26.588 0.300 1
1176 106 106 LYS CE C 39.712 0.300 1
1177 106 106 LYS CG C 23.073 0.300 1
1178 106 106 LYS N N 115.340 0.300 1
1179 107 107 ALA H H 8.009 0.030 1
1180 107 107 ALA HA H 4.231 0.030 1
1181 107 107 ALA HB H 1.260 0.030 1
1182 107 107 ALA C C 175.397 0.300 1
1183 107 107 ALA CA C 49.329 0.300 1
1184 107 107 ALA CB C 17.291 0.300 1
1185 107 107 ALA N N 119.789 0.300 1
1186 108 108 ARG H H 8.599 0.030 1
1187 108 108 ARG HA H 4.079 0.030 1
1188 108 108 ARG HB2 H 1.733 0.030 2
1189 108 108 ARG HB3 H 1.566 0.030 2
1190 108 108 ARG HD2 H 3.112 0.030 1
1191 108 108 ARG HD3 H 3.112 0.030 1
1192 108 108 ARG HG2 H 1.562 0.030 1
1193 108 108 ARG HG3 H 1.562 0.030 1
1194 108 108 ARG C C 174.555 0.300 1
1195 108 108 ARG CA C 54.534 0.300 1
1196 108 108 ARG CB C 28.397 0.300 1
1197 108 108 ARG CD C 41.096 0.300 1
1198 108 108 ARG CG C 25.501 0.300 1
1199 108 108 ARG N N 119.232 0.300 1
1200 109 109 SER H H 8.514 0.030 1
1201 109 109 SER HA H 4.382 0.030 1
1202 109 109 SER HB2 H 3.784 0.030 1
1203 109 109 SER HB3 H 3.784 0.030 1
1204 109 109 SER C C 172.253 0.300 1
1205 109 109 SER CA C 56.055 0.300 1
1206 109 109 SER CB C 61.787 0.300 1
1207 109 109 SER N N 118.616 0.300 1
1208 110 110 GLY H H 8.193 0.030 1
1209 110 110 GLY HA2 H 3.980 0.030 2
1210 110 110 GLY HA3 H 4.080 0.030 2
1211 110 110 GLY CA C 42.292 0.300 1
1212 110 110 GLY N N 110.480 0.300 1
1213 111 111 PRO HA H 4.380 0.030 1
1214 111 111 PRO HB2 H 2.201 0.030 2
1215 111 111 PRO HB3 H 1.865 0.030 2
1216 111 111 PRO HD2 H 3.528 0.030 1
1217 111 111 PRO HD3 H 3.528 0.030 1
1218 111 111 PRO HG2 H 1.917 0.030 1
1219 111 111 PRO HG3 H 1.917 0.030 1
1220 111 111 PRO C C 175.082 0.300 1
1221 111 111 PRO CA C 60.850 0.300 1
1222 111 111 PRO CB C 29.886 0.300 1
1223 111 111 PRO CD C 47.444 0.300 1
1224 111 111 PRO CG C 24.777 0.300 1
1225 112 112 SER H H 8.462 0.030 1
1226 112 112 SER HA H 4.409 0.030 1
1227 112 112 SER HB2 H 3.723 0.030 1
1228 112 112 SER HB3 H 3.723 0.030 1
1229 112 112 SER C C 172.246 0.300 1
1230 112 112 SER CA C 55.984 0.300 1
1231 112 112 SER CB C 61.663 0.300 1
1232 112 112 SER N N 116.080 0.300 1
1233 113 113 SER H H 8.328 0.030 1
1234 113 113 SER HA H 4.373 0.030 1
1235 113 113 SER HB2 H 3.792 0.030 2
1236 113 113 SER C C 172.313 0.300 1
1237 113 113 SER CA C 55.913 0.300 1
1238 113 113 SER CB C 61.704 0.300 1
1239 113 113 SER N N 117.416 0.300 1
1240 114 114 GLY H H 7.957 0.030 1
1241 114 114 GLY HA2 H 3.698 0.030 2
1242 114 114 GLY HA3 H 3.651 0.030 2
1243 114 114 GLY C C 169.387 0.300 1
1244 114 114 GLY CA C 43.845 0.300 1
1245 114 114 GLY N N 116.485 0.300 1
stop_
save_