data_11097
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the fifth fibronectin type III domain of human Netrin
receptor DCC
;
_BMRB_accession_number 11097
_BMRB_flat_file_name bmr11097.str
_Entry_type original
_Submission_date 2010-02-19
_Accession_date 2010-02-22
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Koshiba S. . .
3 Tomizawa T. . .
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" 621
"13C chemical shifts" 500
"15N chemical shifts" 111
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-02-17 original author .
stop_
_Original_release_date 2011-02-17
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the fifth fibronectin type III domain of human Netrin
receptor DCC
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Koshiba S. . .
3 Tomizawa T. . .
4 Kigawa T. . .
5 Yokoyama S. . .
stop_
_Journal_abbreviation 'To be Published'
_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 'Netrin receptor DCC'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'fifth 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 'fifth fn3 domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 123
_Mol_residue_sequence
;
GSSGSSGFPTSVPDLSTPML
PPVGVQAVALTHDAVRVSWA
DNSVPKNQKTSEVRLYTVRW
RTSFSASAKYKSEDTTSLSY
TATGLKPNTMYEFSVMVTKN
RRSSTWSMTAHATTYEASGP
SSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PHE 9 PRO 10 THR
11 SER 12 VAL 13 PRO 14 ASP 15 LEU
16 SER 17 THR 18 PRO 19 MET 20 LEU
21 PRO 22 PRO 23 VAL 24 GLY 25 VAL
26 GLN 27 ALA 28 VAL 29 ALA 30 LEU
31 THR 32 HIS 33 ASP 34 ALA 35 VAL
36 ARG 37 VAL 38 SER 39 TRP 40 ALA
41 ASP 42 ASN 43 SER 44 VAL 45 PRO
46 LYS 47 ASN 48 GLN 49 LYS 50 THR
51 SER 52 GLU 53 VAL 54 ARG 55 LEU
56 TYR 57 THR 58 VAL 59 ARG 60 TRP
61 ARG 62 THR 63 SER 64 PHE 65 SER
66 ALA 67 SER 68 ALA 69 LYS 70 TYR
71 LYS 72 SER 73 GLU 74 ASP 75 THR
76 THR 77 SER 78 LEU 79 SER 80 TYR
81 THR 82 ALA 83 THR 84 GLY 85 LEU
86 LYS 87 PRO 88 ASN 89 THR 90 MET
91 TYR 92 GLU 93 PHE 94 SER 95 VAL
96 MET 97 VAL 98 THR 99 LYS 100 ASN
101 ARG 102 ARG 103 SER 104 SER 105 THR
106 TRP 107 SER 108 MET 109 THR 110 ALA
111 HIS 112 ALA 113 THR 114 THR 115 TYR
116 GLU 117 ALA 118 SER 119 GLY 120 PRO
121 SER 122 SER 123 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-03-30
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 2EDD "Solution Structure Of The Fifth Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" 100.00 123 100.00 100.00 1.69e-81
PDB 4URT "The Crystal Structure Of A Fragment Of Netrin-1 In Complex With Fn5-fn6 Of Dcc" 81.30 206 99.00 100.00 2.03e-62
DBJ BAG63884 "unnamed protein product [Homo sapiens]" 87.80 897 97.22 99.07 1.36e-61
DBJ BAI45499 "protein deleted in colorectal carcinoma [synthetic construct]" 90.24 1447 99.10 100.00 6.90e-65
EMBL CAA53735 "tumour suppressor [Homo sapiens]" 90.24 1447 99.10 100.00 6.90e-65
GB AAI52809 "Deleted in colorectal carcinoma, partial [synthetic construct]" 90.24 1447 99.10 100.00 6.90e-65
GB EAW62991 "deleted in colorectal carcinoma, isoform CRA_a [Homo sapiens]" 90.24 1394 99.10 100.00 6.87e-65
GB EAW62994 "deleted in colorectal carcinoma, isoform CRA_d [Homo sapiens]" 90.24 1396 99.10 100.00 6.90e-65
GB EFB26812 "hypothetical protein PANDA_002639, partial [Ailuropoda melanoleuca]" 90.24 811 97.30 100.00 4.39e-65
GB EHB03455 "Netrin receptor DCC [Heterocephalus glaber]" 90.24 1102 97.30 100.00 3.08e-64
REF NP_005206 "netrin receptor DCC [Homo sapiens]" 90.24 1447 99.10 100.00 6.90e-65
REF XP_001916613 "PREDICTED: LOW QUALITY PROTEIN: netrin receptor DCC [Equus caballus]" 90.24 1447 97.30 100.00 5.86e-64
REF XP_002757292 "PREDICTED: netrin receptor DCC isoform X1 [Callithrix jacchus]" 90.24 1447 99.10 100.00 7.60e-65
REF XP_002800982 "PREDICTED: netrin receptor DCC-like [Macaca mulatta]" 90.24 1446 99.10 100.00 6.37e-65
REF XP_002828277 "PREDICTED: netrin receptor DCC isoform X1 [Pongo abelii]" 90.24 1295 99.10 100.00 6.69e-65
SP P43146 "RecName: Full=Netrin receptor DCC; AltName: Full=Colorectal cancer suppressor; AltName: Full=Immunoglobulin superfamily DCC sub" 90.24 1447 99.10 100.00 6.90e-65
TPG DAA15913 "TPA: netrin receptor DCC-like [Bos taurus]" 90.24 1492 97.30 100.00 6.95e-64
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_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P050905-23
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.2mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3;
90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.2 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM [U-2H]
'sodium chloride' 100 mM 'natural abundance'
d-DTT 1 mM [U-2H]
'sodium azide' 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20031121
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMNMRView
_Saveframe_category software
_Name NMNMRView
_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 0.955
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_1H-15N_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C 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
$NMNMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'fifth 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 7 7 GLY HA2 H 3.854 0.030 1
2 7 7 GLY HA3 H 3.854 0.030 1
3 7 7 GLY C C 173.383 0.300 1
4 7 7 GLY CA C 45.099 0.300 1
5 8 8 PHE H H 8.051 0.030 1
6 8 8 PHE HA H 4.884 0.030 1
7 8 8 PHE HB2 H 2.903 0.030 2
8 8 8 PHE HB3 H 3.169 0.030 2
9 8 8 PHE HD1 H 7.282 0.030 1
10 8 8 PHE HD2 H 7.282 0.030 1
11 8 8 PHE C C 174.054 0.300 1
12 8 8 PHE CA C 55.701 0.300 1
13 8 8 PHE CB C 39.004 0.300 1
14 8 8 PHE CD1 C 131.970 0.300 1
15 8 8 PHE CD2 C 131.970 0.300 1
16 8 8 PHE N N 120.853 0.300 1
17 9 9 PRO HA H 4.519 0.030 1
18 9 9 PRO HB2 H 2.301 0.030 2
19 9 9 PRO HB3 H 1.937 0.030 2
20 9 9 PRO HD2 H 3.797 0.030 2
21 9 9 PRO HD3 H 3.539 0.030 2
22 9 9 PRO HG2 H 1.998 0.030 2
23 9 9 PRO C C 177.013 0.300 1
24 9 9 PRO CA C 63.290 0.300 1
25 9 9 PRO CB C 31.965 0.300 1
26 9 9 PRO CD C 50.658 0.300 1
27 9 9 PRO CG C 27.245 0.300 1
28 10 10 THR H H 8.262 0.030 1
29 10 10 THR HA H 4.379 0.030 1
30 10 10 THR HG2 H 1.243 0.030 1
31 10 10 THR C C 174.500 0.300 1
32 10 10 THR CA C 61.816 0.300 1
33 10 10 THR CB C 69.771 0.300 1
34 10 10 THR CG2 C 21.615 0.300 1
35 10 10 THR N N 114.337 0.300 1
36 11 11 SER H H 8.284 0.030 1
37 11 11 SER HA H 4.487 0.030 1
38 11 11 SER HB2 H 3.845 0.030 2
39 11 11 SER C C 173.964 0.300 1
40 11 11 SER CA C 58.050 0.300 1
41 11 11 SER CB C 63.848 0.300 1
42 11 11 SER N N 118.188 0.300 1
43 12 12 VAL H H 8.212 0.030 1
44 12 12 VAL HA H 4.439 0.030 1
45 12 12 VAL HB H 2.091 0.030 1
46 12 12 VAL HG1 H 0.916 0.030 1
47 12 12 VAL C C 174.514 0.300 1
48 12 12 VAL CA C 59.939 0.300 1
49 12 12 VAL CB C 32.603 0.300 1
50 12 12 VAL CG1 C 20.935 0.300 2
51 12 12 VAL N N 123.096 0.300 1
52 13 13 PRO HA H 4.366 0.030 1
53 13 13 PRO HB2 H 2.253 0.030 2
54 13 13 PRO HB3 H 1.803 0.030 2
55 13 13 PRO HD2 H 3.842 0.030 2
56 13 13 PRO HD3 H 3.691 0.030 2
57 13 13 PRO HG2 H 1.994 0.030 2
58 13 13 PRO C C 176.367 0.300 1
59 13 13 PRO CA C 63.339 0.300 1
60 13 13 PRO CB C 32.216 0.300 1
61 13 13 PRO CD C 50.932 0.300 1
62 13 13 PRO CG C 27.376 0.300 1
63 14 14 ASP H H 8.390 0.030 1
64 14 14 ASP HA H 4.580 0.030 1
65 14 14 ASP HB2 H 2.743 0.030 2
66 14 14 ASP HB3 H 2.626 0.030 2
67 14 14 ASP C C 176.467 0.300 1
68 14 14 ASP CA C 54.054 0.300 1
69 14 14 ASP CB C 41.083 0.300 1
70 14 14 ASP N N 120.589 0.300 1
71 15 15 LEU H H 8.299 0.030 1
72 15 15 LEU HA H 4.349 0.030 1
73 15 15 LEU HB2 H 1.641 0.030 1
74 15 15 LEU HB3 H 1.641 0.030 1
75 15 15 LEU HD1 H 0.912 0.030 1
76 15 15 LEU HD2 H 0.839 0.030 1
77 15 15 LEU HG H 1.627 0.030 1
78 15 15 LEU C C 177.568 0.300 1
79 15 15 LEU CA C 55.219 0.300 1
80 15 15 LEU CB C 41.856 0.300 1
81 15 15 LEU CD1 C 25.063 0.300 2
82 15 15 LEU CD2 C 23.199 0.300 2
83 15 15 LEU CG C 26.987 0.300 1
84 15 15 LEU N N 123.547 0.300 1
85 16 16 SER H H 8.364 0.030 1
86 16 16 SER HA H 4.417 0.030 1
87 16 16 SER HB2 H 3.876 0.030 1
88 16 16 SER HB3 H 3.876 0.030 1
89 16 16 SER C C 174.400 0.300 1
90 16 16 SER CA C 58.831 0.300 1
91 16 16 SER CB C 63.898 0.300 1
92 16 16 SER N N 115.929 0.300 1
93 17 17 THR H H 7.965 0.030 1
94 17 17 THR HA H 4.563 0.030 1
95 17 17 THR HB H 4.135 0.030 1
96 17 17 THR HG2 H 1.243 0.030 1
97 17 17 THR C C 172.700 0.300 1
98 17 17 THR CA C 59.892 0.300 1
99 17 17 THR CB C 69.563 0.300 1
100 17 17 THR N N 117.983 0.300 1
101 18 18 PRO HA H 4.397 0.030 1
102 18 18 PRO HB2 H 2.304 0.030 2
103 18 18 PRO HB3 H 1.803 0.030 2
104 18 18 PRO HD2 H 3.862 0.030 2
105 18 18 PRO HD3 H 3.690 0.030 2
106 18 18 PRO HG2 H 1.993 0.030 2
107 18 18 PRO C C 176.845 0.300 1
108 18 18 PRO CA C 63.176 0.300 1
109 18 18 PRO CB C 32.303 0.300 1
110 18 18 PRO CD C 51.080 0.300 1
111 18 18 PRO CG C 27.428 0.300 1
112 19 19 MET H H 8.315 0.030 1
113 19 19 MET HA H 4.452 0.030 1
114 19 19 MET HB2 H 1.761 0.030 2
115 19 19 MET HB3 H 1.562 0.030 2
116 19 19 MET HE H 1.901 0.030 1
117 19 19 MET HG2 H 2.313 0.030 1
118 19 19 MET HG3 H 2.313 0.030 1
119 19 19 MET C C 175.157 0.300 1
120 19 19 MET CA C 54.237 0.300 1
121 19 19 MET CB C 32.680 0.300 1
122 19 19 MET CE C 17.197 0.300 1
123 19 19 MET CG C 31.639 0.300 1
124 19 19 MET N N 121.177 0.300 1
125 20 20 LEU H H 8.305 0.030 1
126 20 20 LEU HA H 4.556 0.030 1
127 20 20 LEU HB2 H 1.707 0.030 2
128 20 20 LEU HB3 H 1.595 0.030 2
129 20 20 LEU HD1 H 0.896 0.030 1
130 20 20 LEU HD2 H 0.932 0.030 1
131 20 20 LEU HG H 1.710 0.030 1
132 20 20 LEU C C 174.858 0.300 1
133 20 20 LEU CA C 52.932 0.300 1
134 20 20 LEU CB C 41.014 0.300 1
135 20 20 LEU CD1 C 22.813 0.300 2
136 20 20 LEU CD2 C 25.334 0.300 2
137 20 20 LEU CG C 27.172 0.300 1
138 20 20 LEU N N 126.353 0.300 1
139 21 21 PRO HB2 H 2.301 0.030 2
140 21 21 PRO HB3 H 1.723 0.030 2
141 21 21 PRO HD2 H 3.787 0.030 2
142 21 21 PRO HD3 H 3.729 0.030 2
143 21 21 PRO HG2 H 1.903 0.030 1
144 21 21 PRO HG3 H 1.903 0.030 1
145 21 21 PRO CA C 61.118 0.300 1
146 21 21 PRO CB C 29.978 0.300 1
147 21 21 PRO CD C 50.036 0.300 1
148 21 21 PRO CG C 26.984 0.300 1
149 22 22 PRO HA H 4.744 0.030 1
150 22 22 PRO HB2 H 2.467 0.030 2
151 22 22 PRO HB3 H 1.408 0.030 2
152 22 22 PRO HD2 H 3.755 0.030 2
153 22 22 PRO HD3 H 3.382 0.030 2
154 22 22 PRO HG2 H 1.633 0.030 2
155 22 22 PRO HG3 H 1.411 0.030 2
156 22 22 PRO C C 174.005 0.300 1
157 22 22 PRO CA C 63.096 0.300 1
158 22 22 PRO CB C 33.175 0.300 1
159 22 22 PRO CD C 50.283 0.300 1
160 22 22 PRO CG C 28.006 0.300 1
161 23 23 VAL H H 8.261 0.030 1
162 23 23 VAL HA H 4.769 0.030 1
163 23 23 VAL HB H 2.330 0.030 1
164 23 23 VAL HG1 H 1.017 0.030 1
165 23 23 VAL HG2 H 0.796 0.030 1
166 23 23 VAL C C 175.415 0.300 1
167 23 23 VAL CA C 59.131 0.300 1
168 23 23 VAL CB C 35.371 0.300 1
169 23 23 VAL CG1 C 21.798 0.300 2
170 23 23 VAL CG2 C 18.370 0.300 2
171 23 23 VAL N N 111.601 0.300 1
172 24 24 GLY H H 8.534 0.030 1
173 24 24 GLY HA2 H 3.841 0.030 2
174 24 24 GLY HA3 H 3.746 0.030 2
175 24 24 GLY C C 175.299 0.300 1
176 24 24 GLY CA C 47.392 0.300 1
177 24 24 GLY N N 108.169 0.300 1
178 25 25 VAL H H 7.763 0.030 1
179 25 25 VAL HA H 4.632 0.030 1
180 25 25 VAL HB H 1.954 0.030 1
181 25 25 VAL HG1 H 1.023 0.030 1
182 25 25 VAL HG2 H 0.909 0.030 1
183 25 25 VAL C C 176.484 0.300 1
184 25 25 VAL CA C 63.278 0.300 1
185 25 25 VAL CB C 31.253 0.300 1
186 25 25 VAL CG1 C 20.986 0.300 2
187 25 25 VAL CG2 C 21.298 0.300 2
188 25 25 VAL N N 118.863 0.300 1
189 26 26 GLN H H 9.217 0.030 1
190 26 26 GLN HA H 4.631 0.030 1
191 26 26 GLN HB2 H 1.826 0.030 2
192 26 26 GLN HB3 H 1.962 0.030 2
193 26 26 GLN HE21 H 7.347 0.030 2
194 26 26 GLN HE22 H 6.763 0.030 2
195 26 26 GLN HG2 H 2.292 0.030 2
196 26 26 GLN HG3 H 2.225 0.030 2
197 26 26 GLN C C 172.884 0.300 1
198 26 26 GLN CA C 54.429 0.300 1
199 26 26 GLN CB C 33.218 0.300 1
200 26 26 GLN CG C 33.939 0.300 1
201 26 26 GLN N N 127.196 0.300 1
202 26 26 GLN NE2 N 111.726 0.300 1
203 27 27 ALA H H 8.607 0.030 1
204 27 27 ALA HA H 5.065 0.030 1
205 27 27 ALA HB H 0.748 0.030 1
206 27 27 ALA C C 174.625 0.300 1
207 27 27 ALA CA C 50.410 0.300 1
208 27 27 ALA CB C 22.003 0.300 1
209 27 27 ALA N N 124.535 0.300 1
210 28 28 VAL H H 8.616 0.030 1
211 28 28 VAL HA H 4.310 0.030 1
212 28 28 VAL HB H 1.866 0.030 1
213 28 28 VAL HG1 H 0.886 0.030 1
214 28 28 VAL HG2 H 0.886 0.030 1
215 28 28 VAL C C 174.431 0.300 1
216 28 28 VAL CA C 60.127 0.300 1
217 28 28 VAL CB C 35.479 0.300 1
218 28 28 VAL CG1 C 20.643 0.300 1
219 28 28 VAL CG2 C 20.643 0.300 1
220 28 28 VAL N N 121.865 0.300 1
221 29 29 ALA H H 9.092 0.030 1
222 29 29 ALA HA H 4.200 0.030 1
223 29 29 ALA HB H 1.179 0.030 1
224 29 29 ALA C C 176.343 0.300 1
225 29 29 ALA CA C 53.374 0.300 1
226 29 29 ALA CB C 19.303 0.300 1
227 29 29 ALA N N 129.708 0.300 1
228 30 30 LEU H H 8.625 0.030 1
229 30 30 LEU HA H 4.622 0.030 1
230 30 30 LEU HB2 H 1.551 0.030 1
231 30 30 LEU HB3 H 1.551 0.030 1
232 30 30 LEU HD1 H 0.715 0.030 1
233 30 30 LEU HD2 H 0.722 0.030 1
234 30 30 LEU HG H 1.563 0.030 1
235 30 30 LEU C C 177.403 0.300 1
236 30 30 LEU CA C 55.395 0.300 1
237 30 30 LEU CB C 44.627 0.300 1
238 30 30 LEU CD1 C 26.456 0.300 2
239 30 30 LEU CD2 C 21.947 0.300 2
240 30 30 LEU CG C 26.473 0.300 1
241 30 30 LEU N N 120.524 0.300 1
242 31 31 THR H H 7.521 0.030 1
243 31 31 THR HB H 4.564 0.030 1
244 31 31 THR HG2 H 1.138 0.030 1
245 31 31 THR C C 174.350 0.300 1
246 31 31 THR CA C 59.813 0.300 1
247 31 31 THR CB C 72.761 0.300 1
248 31 31 THR CG2 C 22.736 0.300 1
249 31 31 THR N N 108.312 0.300 1
250 32 32 HIS HA H 5.002 0.030 1
251 32 32 HIS HB2 H 3.081 0.030 2
252 32 32 HIS HB3 H 2.710 0.030 2
253 32 32 HIS HD2 H 7.008 0.030 1
254 32 32 HIS HE1 H 7.758 0.030 1
255 32 32 HIS C C 173.184 0.300 1
256 32 32 HIS CA C 57.206 0.300 1
257 32 32 HIS CB C 30.761 0.300 1
258 32 32 HIS CD2 C 118.069 0.300 1
259 32 32 HIS CE1 C 139.800 0.300 1
260 33 33 ASP H H 7.706 0.030 1
261 33 33 ASP HA H 4.536 0.030 1
262 33 33 ASP HB2 H 2.850 0.030 2
263 33 33 ASP HB3 H 2.036 0.030 2
264 33 33 ASP C C 175.322 0.300 1
265 33 33 ASP CA C 51.750 0.300 1
266 33 33 ASP CB C 43.076 0.300 1
267 33 33 ASP N N 114.338 0.300 1
268 34 34 ALA H H 6.922 0.030 1
269 34 34 ALA HA H 5.457 0.030 1
270 34 34 ALA HB H 1.027 0.030 1
271 34 34 ALA C C 176.528 0.300 1
272 34 34 ALA CA C 51.336 0.300 1
273 34 34 ALA CB C 22.251 0.300 1
274 34 34 ALA N N 119.861 0.300 1
275 35 35 VAL H H 8.136 0.030 1
276 35 35 VAL HA H 4.198 0.030 1
277 35 35 VAL HB H 1.177 0.030 1
278 35 35 VAL HG1 H 0.034 0.030 1
279 35 35 VAL HG2 H 0.543 0.030 1
280 35 35 VAL C C 172.676 0.300 1
281 35 35 VAL CA C 60.127 0.300 1
282 35 35 VAL CB C 37.353 0.300 1
283 35 35 VAL CG1 C 21.721 0.300 2
284 35 35 VAL CG2 C 21.947 0.300 2
285 35 35 VAL N N 121.325 0.300 1
286 36 36 ARG H H 8.773 0.030 1
287 36 36 ARG HA H 4.661 0.030 1
288 36 36 ARG HB2 H 1.673 0.030 2
289 36 36 ARG HB3 H 1.447 0.030 2
290 36 36 ARG HD2 H 2.964 0.030 1
291 36 36 ARG HD3 H 2.964 0.030 1
292 36 36 ARG HG2 H 1.258 0.030 2
293 36 36 ARG HG3 H 1.187 0.030 2
294 36 36 ARG C C 174.290 0.300 1
295 36 36 ARG CA C 55.001 0.300 1
296 36 36 ARG CB C 31.986 0.300 1
297 36 36 ARG CD C 43.297 0.300 1
298 36 36 ARG CG C 27.243 0.300 1
299 36 36 ARG N N 126.543 0.300 1
300 37 37 VAL H H 9.562 0.030 1
301 37 37 VAL HA H 4.989 0.030 1
302 37 37 VAL HB H 2.086 0.030 1
303 37 37 VAL HG1 H 1.083 0.030 1
304 37 37 VAL HG2 H 0.364 0.030 1
305 37 37 VAL C C 174.101 0.300 1
306 37 37 VAL CA C 59.879 0.300 1
307 37 37 VAL CB C 33.777 0.300 1
308 37 37 VAL CG1 C 21.520 0.300 2
309 37 37 VAL CG2 C 22.586 0.300 2
310 37 37 VAL N N 133.311 0.300 1
311 38 38 SER H H 9.151 0.030 1
312 38 38 SER HA H 4.764 0.030 1
313 38 38 SER HB2 H 3.733 0.030 2
314 38 38 SER HB3 H 3.515 0.030 2
315 38 38 SER C C 172.450 0.300 1
316 38 38 SER CA C 57.725 0.300 1
317 38 38 SER CB C 66.120 0.300 1
318 38 38 SER N N 119.709 0.300 1
319 39 39 TRP H H 7.304 0.030 1
320 39 39 TRP HA H 4.919 0.030 1
321 39 39 TRP HB2 H 3.456 0.030 2
322 39 39 TRP HB3 H 3.046 0.030 2
323 39 39 TRP HD1 H 6.286 0.030 1
324 39 39 TRP HE1 H 6.109 0.030 1
325 39 39 TRP HE3 H 6.916 0.030 1
326 39 39 TRP HH2 H 6.523 0.030 1
327 39 39 TRP HZ2 H 7.373 0.030 1
328 39 39 TRP HZ3 H 6.568 0.030 1
329 39 39 TRP C C 171.851 0.300 1
330 39 39 TRP CA C 56.757 0.300 1
331 39 39 TRP CB C 30.717 0.300 1
332 39 39 TRP CD1 C 124.038 0.300 1
333 39 39 TRP CE3 C 119.530 0.300 1
334 39 39 TRP CH2 C 123.350 0.300 1
335 39 39 TRP CZ2 C 116.237 0.300 1
336 39 39 TRP CZ3 C 121.100 0.300 1
337 39 39 TRP N N 116.546 0.300 1
338 39 39 TRP NE1 N 125.297 0.300 1
339 40 40 ALA H H 8.876 0.030 1
340 40 40 ALA HA H 4.670 0.030 1
341 40 40 ALA HB H 1.272 0.030 1
342 40 40 ALA C C 176.058 0.300 1
343 40 40 ALA CA C 50.366 0.300 1
344 40 40 ALA CB C 21.997 0.300 1
345 40 40 ALA N N 119.811 0.300 1
346 41 41 ASP H H 8.423 0.030 1
347 41 41 ASP HA H 5.019 0.030 1
348 41 41 ASP HB2 H 2.987 0.030 2
349 41 41 ASP HB3 H 2.531 0.030 2
350 41 41 ASP C C 176.233 0.300 1
351 41 41 ASP CA C 52.797 0.300 1
352 41 41 ASP CB C 42.327 0.300 1
353 41 41 ASP N N 118.415 0.300 1
354 42 42 ASN H H 8.756 0.030 1
355 42 42 ASN HA H 4.774 0.030 1
356 42 42 ASN HB2 H 2.942 0.030 2
357 42 42 ASN HB3 H 2.740 0.030 2
358 42 42 ASN HD21 H 7.640 0.030 2
359 42 42 ASN HD22 H 6.919 0.030 2
360 42 42 ASN C C 175.741 0.300 1
361 42 42 ASN CA C 53.458 0.300 1
362 42 42 ASN CB C 38.510 0.300 1
363 42 42 ASN N N 122.352 0.300 1
364 42 42 ASN ND2 N 112.437 0.300 1
365 43 43 SER H H 8.468 0.030 1
366 43 43 SER HA H 4.463 0.030 1
367 43 43 SER HB2 H 3.975 0.030 2
368 43 43 SER HB3 H 3.901 0.030 2
369 43 43 SER C C 174.027 0.300 1
370 43 43 SER CA C 58.956 0.300 1
371 43 43 SER CB C 63.924 0.300 1
372 43 43 SER N N 115.444 0.300 1
373 44 44 VAL H H 7.577 0.030 1
374 44 44 VAL HA H 4.299 0.030 1
375 44 44 VAL HB H 2.090 0.030 1
376 44 44 VAL HG1 H 0.936 0.030 1
377 44 44 VAL HG2 H 0.980 0.030 1
378 44 44 VAL C C 174.184 0.300 1
379 44 44 VAL CA C 60.131 0.300 1
380 44 44 VAL CB C 32.678 0.300 1
381 44 44 VAL CG1 C 20.723 0.300 2
382 44 44 VAL CG2 C 21.153 0.300 2
383 44 44 VAL N N 122.755 0.300 1
384 45 45 PRO HA H 4.452 0.030 1
385 45 45 PRO HB2 H 2.311 0.030 2
386 45 45 PRO HB3 H 1.899 0.030 2
387 45 45 PRO HD2 H 3.928 0.030 2
388 45 45 PRO HD3 H 3.636 0.030 2
389 45 45 PRO HG2 H 2.008 0.030 2
390 45 45 PRO C C 176.936 0.300 1
391 45 45 PRO CA C 62.903 0.300 1
392 45 45 PRO CB C 32.268 0.300 1
393 45 45 PRO CD C 51.143 0.300 1
394 45 45 PRO CG C 27.451 0.300 1
395 46 46 LYS H H 8.478 0.030 1
396 46 46 LYS HA H 4.184 0.030 1
397 46 46 LYS HB2 H 1.791 0.030 1
398 46 46 LYS HB3 H 1.791 0.030 1
399 46 46 LYS HD2 H 1.688 0.030 2
400 46 46 LYS HE2 H 3.002 0.030 2
401 46 46 LYS HG2 H 1.495 0.030 2
402 46 46 LYS HG3 H 1.446 0.030 2
403 46 46 LYS C C 176.895 0.300 1
404 46 46 LYS CA C 57.233 0.300 1
405 46 46 LYS CB C 32.892 0.300 1
406 46 46 LYS CD C 28.962 0.300 1
407 46 46 LYS CE C 42.165 0.300 1
408 46 46 LYS CG C 24.866 0.300 1
409 46 46 LYS N N 121.308 0.300 1
410 47 47 ASN H H 8.440 0.030 1
411 47 47 ASN HA H 4.621 0.030 1
412 47 47 ASN HB2 H 2.865 0.030 1
413 47 47 ASN HB3 H 2.865 0.030 1
414 47 47 ASN HD21 H 7.624 0.030 2
415 47 47 ASN HD22 H 6.914 0.030 2
416 47 47 ASN C C 174.708 0.300 1
417 47 47 ASN CA C 53.351 0.300 1
418 47 47 ASN CB C 38.216 0.300 1
419 47 47 ASN N N 116.569 0.300 1
420 47 47 ASN ND2 N 112.753 0.300 1
421 48 48 GLN H H 7.995 0.030 1
422 48 48 GLN HA H 4.370 0.030 1
423 48 48 GLN HB2 H 2.128 0.030 2
424 48 48 GLN HB3 H 1.934 0.030 2
425 48 48 GLN HE21 H 7.530 0.030 2
426 48 48 GLN HE22 H 6.923 0.030 2
427 48 48 GLN HG2 H 2.315 0.030 1
428 48 48 GLN HG3 H 2.315 0.030 1
429 48 48 GLN C C 175.718 0.300 1
430 48 48 GLN CA C 55.808 0.300 1
431 48 48 GLN CB C 30.067 0.300 1
432 48 48 GLN CG C 33.912 0.300 1
433 48 48 GLN N N 118.811 0.300 1
434 48 48 GLN NE2 N 112.322 0.300 1
435 49 49 LYS H H 8.489 0.030 1
436 49 49 LYS HA H 4.368 0.030 1
437 49 49 LYS HB2 H 1.885 0.030 2
438 49 49 LYS HB3 H 1.785 0.030 2
439 49 49 LYS HD2 H 1.681 0.030 2
440 49 49 LYS HE2 H 2.998 0.030 2
441 49 49 LYS HG2 H 1.489 0.030 2
442 49 49 LYS HG3 H 1.424 0.030 2
443 49 49 LYS C C 177.061 0.300 1
444 49 49 LYS CA C 56.758 0.300 1
445 49 49 LYS CB C 32.922 0.300 1
446 49 49 LYS CD C 29.099 0.300 1
447 49 49 LYS CE C 42.075 0.300 1
448 49 49 LYS CG C 24.911 0.300 1
449 49 49 LYS N N 122.954 0.300 1
450 50 50 THR H H 8.123 0.030 1
451 50 50 THR HA H 4.460 0.030 1
452 50 50 THR HB H 4.274 0.030 1
453 50 50 THR HG2 H 1.224 0.030 1
454 50 50 THR C C 174.265 0.300 1
455 50 50 THR CA C 61.526 0.300 1
456 50 50 THR CB C 69.941 0.300 1
457 50 50 THR CG2 C 21.452 0.300 1
458 50 50 THR N N 114.475 0.300 1
459 51 51 SER HA H 4.506 0.030 1
460 51 51 SER HB2 H 3.902 0.030 2
461 51 51 SER C C 174.380 0.300 1
462 51 51 SER CA C 58.467 0.300 1
463 51 51 SER CB C 63.429 0.300 1
464 52 52 GLU H H 8.109 0.030 1
465 52 52 GLU HA H 4.409 0.030 1
466 52 52 GLU HB2 H 1.951 0.030 2
467 52 52 GLU HB3 H 1.893 0.030 2
468 52 52 GLU HG2 H 2.202 0.030 1
469 52 52 GLU HG3 H 2.202 0.030 1
470 52 52 GLU C C 175.637 0.300 1
471 52 52 GLU CA C 55.915 0.300 1
472 52 52 GLU CB C 31.059 0.300 1
473 52 52 GLU CG C 36.371 0.300 1
474 52 52 GLU N N 122.691 0.300 1
475 53 53 VAL H H 8.335 0.030 1
476 53 53 VAL HA H 4.059 0.030 1
477 53 53 VAL HB H 2.005 0.030 1
478 53 53 VAL HG1 H 0.995 0.030 1
479 53 53 VAL HG2 H 0.906 0.030 1
480 53 53 VAL C C 175.656 0.300 1
481 53 53 VAL CA C 62.793 0.300 1
482 53 53 VAL CB C 32.841 0.300 1
483 53 53 VAL CG1 C 21.116 0.300 2
484 53 53 VAL CG2 C 21.050 0.300 2
485 53 53 VAL N N 123.432 0.300 1
486 54 54 ARG H H 8.267 0.030 1
487 54 54 ARG HA H 4.367 0.030 1
488 54 54 ARG HB2 H 1.532 0.030 2
489 54 54 ARG HB3 H 1.176 0.030 2
490 54 54 ARG HD2 H 3.156 0.030 1
491 54 54 ARG HD3 H 3.156 0.030 1
492 54 54 ARG HG2 H 1.200 0.030 2
493 54 54 ARG HG3 H 1.513 0.030 2
494 54 54 ARG C C 173.066 0.300 1
495 54 54 ARG CA C 55.350 0.300 1
496 54 54 ARG CB C 31.932 0.300 1
497 54 54 ARG CD C 43.655 0.300 1
498 54 54 ARG CG C 28.578 0.300 1
499 54 54 ARG N N 126.341 0.300 1
500 55 55 LEU H H 8.166 0.030 1
501 55 55 LEU HA H 4.476 0.030 1
502 55 55 LEU HB2 H 1.597 0.030 2
503 55 55 LEU HB3 H 1.177 0.030 2
504 55 55 LEU HD1 H 0.728 0.030 1
505 55 55 LEU HD2 H 0.811 0.030 1
506 55 55 LEU HG H 1.269 0.030 1
507 55 55 LEU C C 175.383 0.300 1
508 55 55 LEU CA C 53.318 0.300 1
509 55 55 LEU CB C 45.426 0.300 1
510 55 55 LEU CD1 C 25.243 0.300 2
511 55 55 LEU CD2 C 24.022 0.300 2
512 55 55 LEU CG C 26.898 0.300 1
513 55 55 LEU N N 123.241 0.300 1
514 56 56 TYR H H 9.448 0.030 1
515 56 56 TYR HA H 5.326 0.030 1
516 56 56 TYR HB2 H 3.272 0.030 2
517 56 56 TYR HB3 H 2.559 0.030 2
518 56 56 TYR HE1 H 6.704 0.030 1
519 56 56 TYR HE2 H 6.704 0.030 1
520 56 56 TYR C C 175.029 0.300 1
521 56 56 TYR CA C 57.244 0.300 1
522 56 56 TYR CB C 39.721 0.300 1
523 56 56 TYR CE1 C 117.035 0.300 1
524 56 56 TYR CE2 C 117.035 0.300 1
525 56 56 TYR N N 129.271 0.300 1
526 57 57 THR H H 8.365 0.030 1
527 57 57 THR HA H 5.157 0.030 1
528 57 57 THR HB H 3.458 0.030 1
529 57 57 THR HG2 H 1.276 0.030 1
530 57 57 THR C C 172.405 0.300 1
531 57 57 THR CA C 61.734 0.300 1
532 57 57 THR CB C 70.781 0.300 1
533 57 57 THR CG2 C 22.389 0.300 1
534 57 57 THR N N 119.060 0.300 1
535 58 58 VAL H H 9.108 0.030 1
536 58 58 VAL HA H 4.822 0.030 1
537 58 58 VAL HB H 1.856 0.030 1
538 58 58 VAL HG1 H 1.230 0.030 1
539 58 58 VAL HG2 H 0.828 0.030 1
540 58 58 VAL C C 173.905 0.300 1
541 58 58 VAL CA C 60.102 0.300 1
542 58 58 VAL CB C 33.810 0.300 1
543 58 58 VAL CG1 C 21.335 0.300 2
544 58 58 VAL CG2 C 23.020 0.300 2
545 58 58 VAL N N 128.052 0.300 1
546 59 59 ARG H H 9.379 0.030 1
547 59 59 ARG HA H 5.866 0.030 1
548 59 59 ARG HB2 H 1.169 0.030 2
549 59 59 ARG HB3 H 0.976 0.030 2
550 59 59 ARG HD2 H 0.281 0.030 2
551 59 59 ARG HD3 H 0.159 0.030 2
552 59 59 ARG HE H 5.414 0.030 1
553 59 59 ARG HG2 H 0.726 0.030 2
554 59 59 ARG HG3 H 0.937 0.030 2
555 59 59 ARG C C 175.019 0.300 1
556 59 59 ARG CA C 53.053 0.300 1
557 59 59 ARG CB C 33.676 0.300 1
558 59 59 ARG CD C 41.595 0.300 1
559 59 59 ARG CG C 25.260 0.300 1
560 59 59 ARG N N 123.623 0.300 1
561 60 60 TRP H H 8.656 0.030 1
562 60 60 TRP HA H 5.927 0.030 1
563 60 60 TRP HB2 H 1.957 0.030 2
564 60 60 TRP HB3 H 3.343 0.030 2
565 60 60 TRP HD1 H 6.521 0.030 1
566 60 60 TRP HE1 H 9.635 0.030 1
567 60 60 TRP HE3 H 7.268 0.030 1
568 60 60 TRP HH2 H 7.317 0.030 1
569 60 60 TRP HZ2 H 7.583 0.030 1
570 60 60 TRP HZ3 H 6.860 0.030 1
571 60 60 TRP C C 174.730 0.300 1
572 60 60 TRP CA C 56.322 0.300 1
573 60 60 TRP CB C 34.560 0.300 1
574 60 60 TRP CD1 C 125.328 0.300 1
575 60 60 TRP CE3 C 121.172 0.300 1
576 60 60 TRP CH2 C 124.528 0.300 1
577 60 60 TRP CZ2 C 114.123 0.300 1
578 60 60 TRP CZ3 C 122.053 0.300 1
579 60 60 TRP N N 115.991 0.300 1
580 60 60 TRP NE1 N 127.920 0.300 1
581 61 61 ARG H H 7.977 0.030 1
582 61 61 ARG HA H 4.892 0.030 1
583 61 61 ARG HB2 H 1.311 0.030 2
584 61 61 ARG HB3 H 1.251 0.030 2
585 61 61 ARG HD2 H 2.347 0.030 2
586 61 61 ARG HD3 H 1.222 0.030 2
587 61 61 ARG HE H 6.591 0.030 1
588 61 61 ARG HG2 H 0.982 0.030 2
589 61 61 ARG HG3 H 1.107 0.030 2
590 61 61 ARG C C 174.609 0.300 1
591 61 61 ARG CA C 53.751 0.300 1
592 61 61 ARG CB C 33.184 0.300 1
593 61 61 ARG CD C 43.188 0.300 1
594 61 61 ARG CG C 23.987 0.300 1
595 61 61 ARG N N 113.337 0.300 1
596 61 61 ARG NE N 85.732 0.300 1
597 62 62 THR H H 8.392 0.030 1
598 62 62 THR HA H 3.929 0.030 1
599 62 62 THR HB H 3.991 0.030 1
600 62 62 THR HG2 H 0.967 0.030 1
601 62 62 THR C C 175.314 0.300 1
602 62 62 THR CA C 62.236 0.300 1
603 62 62 THR CB C 68.896 0.300 1
604 62 62 THR CG2 C 22.422 0.300 1
605 62 62 THR N N 114.578 0.300 1
606 63 63 SER H H 8.396 0.030 1
607 63 63 SER HA H 3.940 0.030 1
608 63 63 SER HB2 H 3.221 0.030 2
609 63 63 SER HB3 H 3.089 0.030 2
610 63 63 SER C C 174.916 0.300 1
611 63 63 SER CA C 60.900 0.300 1
612 63 63 SER CB C 63.285 0.300 1
613 63 63 SER N N 121.213 0.300 1
614 64 64 PHE H H 8.571 0.030 1
615 64 64 PHE HA H 4.345 0.030 1
616 64 64 PHE HB2 H 3.264 0.030 2
617 64 64 PHE HB3 H 3.052 0.030 2
618 64 64 PHE HD1 H 7.150 0.030 1
619 64 64 PHE HD2 H 7.150 0.030 1
620 64 64 PHE HE1 H 7.265 0.030 1
621 64 64 PHE HE2 H 7.265 0.030 1
622 64 64 PHE HZ H 7.103 0.030 1
623 64 64 PHE C C 175.206 0.300 1
624 64 64 PHE CA C 58.171 0.300 1
625 64 64 PHE CB C 36.788 0.300 1
626 64 64 PHE CD1 C 131.551 0.300 1
627 64 64 PHE CD2 C 131.551 0.300 1
628 64 64 PHE CE1 C 131.524 0.300 1
629 64 64 PHE CE2 C 131.524 0.300 1
630 64 64 PHE CZ C 129.501 0.300 1
631 64 64 PHE N N 117.739 0.300 1
632 65 65 SER H H 7.589 0.030 1
633 65 65 SER HA H 4.520 0.030 1
634 65 65 SER HB2 H 3.679 0.030 2
635 65 65 SER HB3 H 3.531 0.030 2
636 65 65 SER C C 174.956 0.300 1
637 65 65 SER CA C 56.870 0.300 1
638 65 65 SER CB C 63.703 0.300 1
639 65 65 SER N N 113.339 0.300 1
640 66 66 ALA HA H 4.142 0.030 1
641 66 66 ALA HB H 1.401 0.030 1
642 66 66 ALA CA C 53.985 0.300 1
643 66 66 ALA CB C 18.613 0.300 1
644 67 67 SER HA H 4.376 0.030 1
645 67 67 SER HB2 H 3.859 0.030 2
646 67 67 SER HB3 H 3.753 0.030 2
647 67 67 SER C C 174.266 0.300 1
648 67 67 SER CA C 57.647 0.300 1
649 67 67 SER CB C 63.685 0.300 1
650 68 68 ALA H H 7.572 0.030 1
651 68 68 ALA HA H 4.140 0.030 1
652 68 68 ALA HB H 1.300 0.030 1
653 68 68 ALA C C 176.903 0.300 1
654 68 68 ALA CA C 52.334 0.300 1
655 68 68 ALA CB C 19.586 0.300 1
656 68 68 ALA N N 126.029 0.300 1
657 69 69 LYS H H 8.181 0.030 1
658 69 69 LYS HA H 4.265 0.030 1
659 69 69 LYS HB2 H 1.763 0.030 2
660 69 69 LYS HB3 H 1.638 0.030 2
661 69 69 LYS HD2 H 1.654 0.030 2
662 69 69 LYS HG2 H 1.402 0.030 2
663 69 69 LYS HG3 H 1.463 0.030 2
664 69 69 LYS C C 176.500 0.300 1
665 69 69 LYS CA C 55.153 0.300 1
666 69 69 LYS CB C 33.442 0.300 1
667 69 69 LYS CD C 28.877 0.300 1
668 69 69 LYS CE C 42.350 0.300 1
669 69 69 LYS CG C 24.820 0.300 1
670 69 69 LYS N N 121.373 0.300 1
671 70 70 TYR H H 8.391 0.030 1
672 70 70 TYR HA H 4.432 0.030 1
673 70 70 TYR HB2 H 2.530 0.030 2
674 70 70 TYR HB3 H 2.421 0.030 2
675 70 70 TYR HD1 H 6.657 0.030 1
676 70 70 TYR HD2 H 6.657 0.030 1
677 70 70 TYR HE1 H 6.434 0.030 1
678 70 70 TYR HE2 H 6.434 0.030 1
679 70 70 TYR C C 177.301 0.300 1
680 70 70 TYR CA C 58.888 0.300 1
681 70 70 TYR CB C 39.844 0.300 1
682 70 70 TYR CD1 C 132.577 0.300 1
683 70 70 TYR CD2 C 132.577 0.300 1
684 70 70 TYR CE1 C 117.190 0.300 1
685 70 70 TYR CE2 C 117.190 0.300 1
686 70 70 TYR N N 120.369 0.300 1
687 71 71 LYS H H 8.108 0.030 1
688 71 71 LYS HA H 4.209 0.030 1
689 71 71 LYS HB2 H 0.803 0.030 2
690 71 71 LYS HB3 H 0.461 0.030 2
691 71 71 LYS HD2 H 1.726 0.030 2
692 71 71 LYS HD3 H 1.673 0.030 2
693 71 71 LYS HE2 H 3.077 0.030 1
694 71 71 LYS HE3 H 3.077 0.030 1
695 71 71 LYS HG2 H 1.198 0.030 2
696 71 71 LYS HG3 H 1.124 0.030 2
697 71 71 LYS C C 173.811 0.300 1
698 71 71 LYS CA C 54.761 0.300 1
699 71 71 LYS CB C 34.064 0.300 1
700 71 71 LYS CD C 28.962 0.300 1
701 71 71 LYS CE C 42.458 0.300 1
702 71 71 LYS CG C 25.333 0.300 1
703 71 71 LYS N N 122.971 0.300 1
704 72 72 SER H H 7.669 0.030 1
705 72 72 SER HA H 5.499 0.030 1
706 72 72 SER HB2 H 3.618 0.030 2
707 72 72 SER HB3 H 3.449 0.030 2
708 72 72 SER C C 173.482 0.300 1
709 72 72 SER CA C 57.213 0.300 1
710 72 72 SER CB C 67.063 0.300 1
711 72 72 SER N N 111.829 0.300 1
712 73 73 GLU H H 8.760 0.030 1
713 73 73 GLU HA H 4.550 0.030 1
714 73 73 GLU HB2 H 1.919 0.030 2
715 73 73 GLU HB3 H 1.813 0.030 2
716 73 73 GLU HG2 H 2.752 0.030 2
717 73 73 GLU HG3 H 2.595 0.030 2
718 73 73 GLU C C 173.327 0.300 1
719 73 73 GLU CA C 55.887 0.300 1
720 73 73 GLU CB C 34.264 0.300 1
721 73 73 GLU CG C 36.806 0.300 1
722 73 73 GLU N N 120.660 0.300 1
723 74 74 ASP H H 8.474 0.030 1
724 74 74 ASP HA H 6.043 0.030 1
725 74 74 ASP HB2 H 2.579 0.030 1
726 74 74 ASP HB3 H 2.579 0.030 1
727 74 74 ASP C C 176.804 0.300 1
728 74 74 ASP CA C 52.679 0.300 1
729 74 74 ASP CB C 43.434 0.300 1
730 74 74 ASP N N 121.150 0.300 1
731 75 75 THR H H 9.708 0.030 1
732 75 75 THR HA H 5.076 0.030 1
733 75 75 THR HB H 4.547 0.030 1
734 75 75 THR HG2 H 1.645 0.030 1
735 75 75 THR C C 172.372 0.300 1
736 75 75 THR CA C 60.489 0.300 1
737 75 75 THR CB C 69.877 0.300 1
738 75 75 THR CG2 C 19.135 0.300 1
739 75 75 THR N N 114.886 0.300 1
740 76 76 THR H H 8.401 0.030 1
741 76 76 THR HA H 5.173 0.030 1
742 76 76 THR HB H 4.783 0.030 1
743 76 76 THR HG2 H 1.369 0.030 1
744 76 76 THR C C 176.214 0.300 1
745 76 76 THR CA C 61.941 0.300 1
746 76 76 THR CB C 69.566 0.300 1
747 76 76 THR CG2 C 22.202 0.300 1
748 76 76 THR N N 115.246 0.300 1
749 77 77 SER H H 8.788 0.030 1
750 77 77 SER HA H 4.676 0.030 1
751 77 77 SER HB2 H 4.153 0.030 1
752 77 77 SER HB3 H 4.153 0.030 1
753 77 77 SER C C 169.657 0.300 1
754 77 77 SER CA C 58.617 0.300 1
755 77 77 SER CB C 64.472 0.300 1
756 77 77 SER N N 121.895 0.300 1
757 78 78 LEU H H 7.459 0.030 1
758 78 78 LEU HA H 3.465 0.030 1
759 78 78 LEU HB2 H 1.503 0.030 2
760 78 78 LEU HB3 H 0.997 0.030 2
761 78 78 LEU HD1 H 0.897 0.030 1
762 78 78 LEU HD2 H 0.622 0.030 1
763 78 78 LEU HG H 1.408 0.030 1
764 78 78 LEU C C 174.477 0.300 1
765 78 78 LEU CA C 54.137 0.300 1
766 78 78 LEU CB C 39.812 0.300 1
767 78 78 LEU CD1 C 25.856 0.300 2
768 78 78 LEU CD2 C 23.788 0.300 2
769 78 78 LEU CG C 27.690 0.300 1
770 78 78 LEU N N 116.131 0.300 1
771 79 79 SER H H 6.719 0.030 1
772 79 79 SER HA H 4.305 0.030 1
773 79 79 SER HB2 H 3.410 0.030 2
774 79 79 SER HB3 H 3.344 0.030 2
775 79 79 SER C C 172.858 0.300 1
776 79 79 SER CA C 56.483 0.300 1
777 79 79 SER CB C 65.772 0.300 1
778 79 79 SER N N 108.240 0.300 1
779 80 80 TYR H H 9.271 0.030 1
780 80 80 TYR HA H 4.503 0.030 1
781 80 80 TYR HB2 H 3.459 0.030 2
782 80 80 TYR HB3 H 2.656 0.030 2
783 80 80 TYR HD1 H 6.897 0.030 1
784 80 80 TYR HD2 H 6.897 0.030 1
785 80 80 TYR HE1 H 6.657 0.030 1
786 80 80 TYR HE2 H 6.657 0.030 1
787 80 80 TYR C C 173.030 0.300 1
788 80 80 TYR CA C 58.960 0.300 1
789 80 80 TYR CB C 44.103 0.300 1
790 80 80 TYR CD1 C 131.724 0.300 1
791 80 80 TYR CD2 C 131.724 0.300 1
792 80 80 TYR CE1 C 118.649 0.300 1
793 80 80 TYR CE2 C 118.649 0.300 1
794 80 80 TYR N N 121.850 0.300 1
795 81 81 THR H H 7.527 0.030 1
796 81 81 THR HA H 4.615 0.030 1
797 81 81 THR HB H 3.568 0.030 1
798 81 81 THR HG2 H 0.632 0.030 1
799 81 81 THR C C 171.502 0.300 1
800 81 81 THR CA C 61.183 0.300 1
801 81 81 THR CB C 68.911 0.300 1
802 81 81 THR CG2 C 21.392 0.300 1
803 81 81 THR N N 125.036 0.300 1
804 82 82 ALA H H 8.400 0.030 1
805 82 82 ALA HA H 4.041 0.030 1
806 82 82 ALA HB H 0.295 0.030 1
807 82 82 ALA C C 175.684 0.300 1
808 82 82 ALA CA C 50.700 0.300 1
809 82 82 ALA CB C 18.116 0.300 1
810 82 82 ALA N N 131.674 0.300 1
811 83 83 THR H H 7.955 0.030 1
812 83 83 THR HA H 5.094 0.030 1
813 83 83 THR HB H 4.304 0.030 1
814 83 83 THR HG2 H 0.934 0.030 1
815 83 83 THR C C 174.674 0.300 1
816 83 83 THR CA C 59.836 0.300 1
817 83 83 THR CB C 71.154 0.300 1
818 83 83 THR CG2 C 21.489 0.300 1
819 83 83 THR N N 111.202 0.300 1
820 84 84 GLY H H 8.356 0.030 1
821 84 84 GLY HA2 H 4.006 0.030 2
822 84 84 GLY HA3 H 3.920 0.030 2
823 84 84 GLY C C 175.525 0.300 1
824 84 84 GLY CA C 46.333 0.300 1
825 84 84 GLY N N 107.094 0.300 1
826 85 85 LEU H H 8.210 0.030 1
827 85 85 LEU HA H 4.171 0.030 1
828 85 85 LEU HB2 H 1.328 0.030 2
829 85 85 LEU HB3 H 0.981 0.030 2
830 85 85 LEU HD1 H 0.026 0.030 1
831 85 85 LEU HD2 H -0.098 0.030 1
832 85 85 LEU HG H 0.952 0.030 1
833 85 85 LEU C C 175.242 0.300 1
834 85 85 LEU CA C 53.590 0.300 1
835 85 85 LEU CB C 40.662 0.300 1
836 85 85 LEU CD1 C 26.147 0.300 2
837 85 85 LEU CD2 C 20.067 0.300 2
838 85 85 LEU CG C 26.159 0.300 1
839 85 85 LEU N N 119.765 0.300 1
840 86 86 LYS H H 8.487 0.030 1
841 86 86 LYS HA H 4.692 0.030 1
842 86 86 LYS HB2 H 1.888 0.030 1
843 86 86 LYS HB3 H 1.888 0.030 1
844 86 86 LYS HD2 H 1.752 0.030 1
845 86 86 LYS HD3 H 1.752 0.030 1
846 86 86 LYS HE2 H 3.061 0.030 1
847 86 86 LYS HE3 H 3.061 0.030 1
848 86 86 LYS HG2 H 1.683 0.030 2
849 86 86 LYS HG3 H 1.610 0.030 2
850 86 86 LYS C C 175.024 0.300 1
851 86 86 LYS CA C 53.936 0.300 1
852 86 86 LYS CB C 33.099 0.300 1
853 86 86 LYS CD C 29.274 0.300 1
854 86 86 LYS CE C 42.245 0.300 1
855 86 86 LYS CG C 25.022 0.300 1
856 86 86 LYS N N 120.388 0.300 1
857 87 87 PRO HA H 5.394 0.030 1
858 87 87 PRO HB2 H 2.639 0.030 2
859 87 87 PRO HB3 H 2.078 0.030 2
860 87 87 PRO HD2 H 4.130 0.030 2
861 87 87 PRO HD3 H 3.673 0.030 2
862 87 87 PRO HG2 H 2.161 0.030 1
863 87 87 PRO HG3 H 2.161 0.030 1
864 87 87 PRO C C 178.610 0.300 1
865 87 87 PRO CA C 62.915 0.300 1
866 87 87 PRO CB C 33.462 0.300 1
867 87 87 PRO CD C 51.048 0.300 1
868 87 87 PRO CG C 27.538 0.300 1
869 88 88 ASN H H 7.792 0.030 1
870 88 88 ASN HA H 4.479 0.030 1
871 88 88 ASN HB2 H 3.166 0.030 2
872 88 88 ASN HB3 H 2.156 0.030 2
873 88 88 ASN HD21 H 7.508 0.030 2
874 88 88 ASN HD22 H 6.743 0.030 2
875 88 88 ASN C C 174.361 0.300 1
876 88 88 ASN CA C 53.097 0.300 1
877 88 88 ASN CB C 39.029 0.300 1
878 88 88 ASN N N 125.222 0.300 1
879 88 88 ASN ND2 N 110.203 0.300 1
880 89 89 THR H H 8.271 0.030 1
881 89 89 THR HA H 4.410 0.030 1
882 89 89 THR HB H 3.940 0.030 1
883 89 89 THR HG2 H 0.712 0.030 1
884 89 89 THR C C 171.200 0.300 1
885 89 89 THR CA C 62.905 0.300 1
886 89 89 THR CB C 71.990 0.300 1
887 89 89 THR CG2 C 20.602 0.300 1
888 89 89 THR N N 114.246 0.300 1
889 90 90 MET H H 8.416 0.030 1
890 90 90 MET HA H 4.949 0.030 1
891 90 90 MET HB2 H 2.021 0.030 2
892 90 90 MET HB3 H 1.908 0.030 2
893 90 90 MET HE H 1.967 0.030 1
894 90 90 MET HG2 H 2.727 0.030 2
895 90 90 MET HG3 H 2.401 0.030 2
896 90 90 MET C C 175.150 0.300 1
897 90 90 MET CA C 55.648 0.300 1
898 90 90 MET CB C 34.409 0.300 1
899 90 90 MET CE C 16.746 0.300 1
900 90 90 MET CG C 31.256 0.300 1
901 90 90 MET N N 127.311 0.300 1
902 91 91 TYR H H 9.373 0.030 1
903 91 91 TYR HA H 4.765 0.030 1
904 91 91 TYR HB2 H 2.698 0.030 2
905 91 91 TYR HB3 H 2.279 0.030 2
906 91 91 TYR HE1 H 6.930 0.030 1
907 91 91 TYR HE2 H 6.930 0.030 1
908 91 91 TYR C C 173.105 0.300 1
909 91 91 TYR CA C 58.383 0.300 1
910 91 91 TYR CB C 45.255 0.300 1
911 91 91 TYR CE1 C 118.959 0.300 1
912 91 91 TYR CE2 C 118.959 0.300 1
913 91 91 TYR N N 128.081 0.300 1
914 92 92 GLU H H 8.444 0.030 1
915 92 92 GLU HA H 4.741 0.030 1
916 92 92 GLU HB2 H 1.791 0.030 2
917 92 92 GLU HB3 H 1.609 0.030 2
918 92 92 GLU HG2 H 1.953 0.030 2
919 92 92 GLU HG3 H 1.872 0.030 2
920 92 92 GLU C C 174.957 0.300 1
921 92 92 GLU CA C 53.321 0.300 1
922 92 92 GLU CB C 33.021 0.300 1
923 92 92 GLU CG C 36.415 0.300 1
924 92 92 GLU N N 116.576 0.300 1
925 93 93 PHE H H 9.181 0.030 1
926 93 93 PHE HA H 5.828 0.030 1
927 93 93 PHE HB2 H 2.872 0.030 2
928 93 93 PHE HB3 H 2.794 0.030 2
929 93 93 PHE HD1 H 7.105 0.030 1
930 93 93 PHE HD2 H 7.105 0.030 1
931 93 93 PHE HE1 H 6.591 0.030 1
932 93 93 PHE HE2 H 6.591 0.030 1
933 93 93 PHE HZ H 6.293 0.030 1
934 93 93 PHE C C 175.105 0.300 1
935 93 93 PHE CA C 56.857 0.300 1
936 93 93 PHE CB C 43.718 0.300 1
937 93 93 PHE CD1 C 132.968 0.300 1
938 93 93 PHE CD2 C 132.968 0.300 1
939 93 93 PHE CE1 C 130.855 0.300 1
940 93 93 PHE CE2 C 130.855 0.300 1
941 93 93 PHE CZ C 127.914 0.300 1
942 93 93 PHE N N 121.920 0.300 1
943 94 94 SER H H 8.711 0.030 1
944 94 94 SER HA H 4.490 0.030 1
945 94 94 SER HB2 H 4.040 0.030 2
946 94 94 SER HB3 H 3.962 0.030 2
947 94 94 SER C C 172.824 0.300 1
948 94 94 SER CA C 58.261 0.300 1
949 94 94 SER CB C 65.653 0.300 1
950 94 94 SER N N 109.824 0.300 1
951 95 95 VAL H H 9.030 0.030 1
952 95 95 VAL HA H 5.677 0.030 1
953 95 95 VAL HB H 1.138 0.030 1
954 95 95 VAL HG1 H -0.140 0.030 1
955 95 95 VAL HG2 H 0.257 0.030 1
956 95 95 VAL C C 174.069 0.300 1
957 95 95 VAL CA C 60.635 0.300 1
958 95 95 VAL CB C 36.510 0.300 1
959 95 95 VAL CG1 C 20.060 0.300 2
960 95 95 VAL CG2 C 21.278 0.300 2
961 95 95 VAL N N 118.209 0.300 1
962 96 96 MET H H 8.679 0.030 1
963 96 96 MET HA H 4.474 0.030 1
964 96 96 MET HB2 H 0.950 0.030 2
965 96 96 MET HB3 H 0.416 0.030 2
966 96 96 MET HE H 1.478 0.030 1
967 96 96 MET HG2 H 1.595 0.030 2
968 96 96 MET HG3 H 1.301 0.030 2
969 96 96 MET C C 172.848 0.300 1
970 96 96 MET CA C 54.004 0.300 1
971 96 96 MET CB C 35.742 0.300 1
972 96 96 MET CE C 16.570 0.300 1
973 96 96 MET CG C 29.986 0.300 1
974 96 96 MET N N 124.994 0.300 1
975 97 97 VAL H H 8.234 0.030 1
976 97 97 VAL HA H 4.959 0.030 1
977 97 97 VAL HB H 1.775 0.030 1
978 97 97 VAL HG1 H 0.439 0.030 1
979 97 97 VAL HG2 H 0.925 0.030 1
980 97 97 VAL C C 171.420 0.300 1
981 97 97 VAL CA C 58.990 0.300 1
982 97 97 VAL CB C 36.140 0.300 1
983 97 97 VAL CG1 C 23.228 0.300 2
984 97 97 VAL CG2 C 18.484 0.300 2
985 97 97 VAL N N 119.436 0.300 1
986 98 98 THR H H 8.440 0.030 1
987 98 98 THR HA H 4.976 0.030 1
988 98 98 THR HB H 3.654 0.030 1
989 98 98 THR HG2 H 0.908 0.030 1
990 98 98 THR C C 173.364 0.300 1
991 98 98 THR CA C 61.539 0.300 1
992 98 98 THR CB C 71.244 0.300 1
993 98 98 THR CG2 C 20.256 0.300 1
994 98 98 THR N N 122.446 0.300 1
995 99 99 LYS H H 8.916 0.030 1
996 99 99 LYS HA H 4.573 0.030 1
997 99 99 LYS HB2 H 1.415 0.030 2
998 99 99 LYS HB3 H 1.755 0.030 2
999 99 99 LYS HD2 H 1.608 0.030 2
1000 99 99 LYS HD3 H 1.484 0.030 2
1001 99 99 LYS HE2 H 2.898 0.030 1
1002 99 99 LYS HE3 H 2.898 0.030 1
1003 99 99 LYS HG2 H 1.135 0.030 2
1004 99 99 LYS HG3 H 1.351 0.030 2
1005 99 99 LYS C C 175.526 0.300 1
1006 99 99 LYS CA C 55.577 0.300 1
1007 99 99 LYS CB C 35.324 0.300 1
1008 99 99 LYS CD C 29.585 0.300 1
1009 99 99 LYS CE C 41.914 0.300 1
1010 99 99 LYS CG C 24.513 0.300 1
1011 99 99 LYS N N 126.738 0.300 1
1012 100 100 ASN H H 9.671 0.030 1
1013 100 100 ASN HA H 4.272 0.030 1
1014 100 100 ASN HB2 H 3.051 0.030 2
1015 100 100 ASN HB3 H 2.739 0.030 2
1016 100 100 ASN HD21 H 6.983 0.030 2
1017 100 100 ASN HD22 H 7.626 0.030 2
1018 100 100 ASN C C 174.025 0.300 1
1019 100 100 ASN CA C 54.769 0.300 1
1020 100 100 ASN CB C 37.269 0.300 1
1021 100 100 ASN ND2 N 112.205 0.300 1
1022 101 101 ARG H H 8.651 0.030 1
1023 101 101 ARG HA H 3.731 0.030 1
1024 101 101 ARG HB2 H 2.017 0.030 1
1025 101 101 ARG HB3 H 2.017 0.030 1
1026 101 101 ARG HD2 H 3.152 0.030 1
1027 101 101 ARG HD3 H 3.152 0.030 1
1028 101 101 ARG HG2 H 1.522 0.030 1
1029 101 101 ARG HG3 H 1.522 0.030 1
1030 101 101 ARG C C 174.964 0.300 1
1031 101 101 ARG CA C 57.608 0.300 1
1032 101 101 ARG CB C 28.052 0.300 1
1033 101 101 ARG CD C 43.296 0.300 1
1034 101 101 ARG CG C 27.750 0.300 1
1035 101 101 ARG N N 110.859 0.300 1
1036 102 102 ARG H H 7.837 0.030 1
1037 102 102 ARG HA H 4.621 0.030 1
1038 102 102 ARG HB2 H 1.846 0.030 1
1039 102 102 ARG HB3 H 1.846 0.030 1
1040 102 102 ARG HD2 H 3.241 0.030 2
1041 102 102 ARG HD3 H 3.217 0.030 2
1042 102 102 ARG HG2 H 1.727 0.030 2
1043 102 102 ARG HG3 H 1.595 0.030 2
1044 102 102 ARG C C 174.582 0.300 1
1045 102 102 ARG CA C 55.173 0.300 1
1046 102 102 ARG CB C 32.457 0.300 1
1047 102 102 ARG CD C 43.683 0.300 1
1048 102 102 ARG CG C 27.270 0.300 1
1049 102 102 ARG N N 120.745 0.300 1
1050 103 103 SER H H 8.497 0.030 1
1051 103 103 SER HA H 5.493 0.030 1
1052 103 103 SER HB2 H 3.923 0.030 2
1053 103 103 SER HB3 H 3.379 0.030 2
1054 103 103 SER C C 174.649 0.300 1
1055 103 103 SER CA C 57.506 0.300 1
1056 103 103 SER CB C 66.475 0.300 1
1057 103 103 SER N N 116.697 0.300 1
1058 104 104 SER H H 8.980 0.030 1
1059 104 104 SER HA H 4.595 0.030 1
1060 104 104 SER HB2 H 3.856 0.030 2
1061 104 104 SER HB3 H 3.399 0.030 2
1062 104 104 SER C C 174.182 0.300 1
1063 104 104 SER CA C 57.545 0.300 1
1064 104 104 SER CB C 67.137 0.300 1
1065 104 104 SER N N 118.678 0.300 1
1066 105 105 THR H H 7.739 0.030 1
1067 105 105 THR HA H 4.297 0.030 1
1068 105 105 THR HB H 4.492 0.030 1
1069 105 105 THR HG2 H 1.312 0.030 1
1070 105 105 THR C C 174.610 0.300 1
1071 105 105 THR CA C 61.042 0.300 1
1072 105 105 THR CB C 69.472 0.300 1
1073 105 105 THR CG2 C 20.997 0.300 1
1074 105 105 THR N N 108.325 0.300 1
1075 106 106 TRP H H 7.812 0.030 1
1076 106 106 TRP HA H 4.277 0.030 1
1077 106 106 TRP HB2 H 3.176 0.030 2
1078 106 106 TRP HB3 H 2.945 0.030 2
1079 106 106 TRP HD1 H 7.160 0.030 1
1080 106 106 TRP HE1 H 9.804 0.030 1
1081 106 106 TRP HE3 H 7.080 0.030 1
1082 106 106 TRP HH2 H 6.657 0.030 1
1083 106 106 TRP HZ2 H 7.146 0.030 1
1084 106 106 TRP HZ3 H 6.977 0.030 1
1085 106 106 TRP C C 177.621 0.300 1
1086 106 106 TRP CA C 58.300 0.300 1
1087 106 106 TRP CB C 30.480 0.300 1
1088 106 106 TRP CD1 C 127.469 0.300 1
1089 106 106 TRP CE3 C 119.429 0.300 1
1090 106 106 TRP CH2 C 123.213 0.300 1
1091 106 106 TRP CZ2 C 115.102 0.300 1
1092 106 106 TRP CZ3 C 123.132 0.300 1
1093 106 106 TRP N N 121.049 0.300 1
1094 106 106 TRP NE1 N 128.874 0.300 1
1095 107 107 SER H H 9.208 0.030 1
1096 107 107 SER HA H 4.293 0.030 1
1097 107 107 SER HB2 H 4.110 0.030 2
1098 107 107 SER HB3 H 4.395 0.030 2
1099 107 107 SER C C 173.026 0.300 1
1100 107 107 SER CA C 58.531 0.300 1
1101 107 107 SER CB C 66.735 0.300 1
1102 107 107 SER N N 116.481 0.300 1
1103 108 108 MET H H 8.424 0.030 1
1104 108 108 MET HA H 4.543 0.030 1
1105 108 108 MET HB2 H 2.296 0.030 2
1106 108 108 MET HB3 H 2.222 0.030 2
1107 108 108 MET HE H 2.275 0.030 1
1108 108 108 MET HG2 H 2.840 0.030 2
1109 108 108 MET HG3 H 2.709 0.030 2
1110 108 108 MET C C 176.364 0.300 1
1111 108 108 MET CA C 56.562 0.300 1
1112 108 108 MET CB C 33.065 0.300 1
1113 108 108 MET CE C 17.227 0.300 1
1114 108 108 MET CG C 31.694 0.300 1
1115 108 108 MET N N 115.894 0.300 1
1116 109 109 THR H H 8.317 0.030 1
1117 109 109 THR HA H 4.904 0.030 1
1118 109 109 THR HB H 3.899 0.030 1
1119 109 109 THR HG2 H 1.016 0.030 1
1120 109 109 THR C C 174.794 0.300 1
1121 109 109 THR CA C 61.222 0.300 1
1122 109 109 THR CB C 70.903 0.300 1
1123 109 109 THR CG2 C 23.210 0.300 1
1124 109 109 THR N N 115.469 0.300 1
1125 110 110 ALA H H 9.072 0.030 1
1126 110 110 ALA HA H 4.889 0.030 1
1127 110 110 ALA HB H 1.364 0.030 1
1128 110 110 ALA C C 175.602 0.300 1
1129 110 110 ALA CA C 50.692 0.300 1
1130 110 110 ALA CB C 22.840 0.300 1
1131 110 110 ALA N N 125.874 0.300 1
1132 111 111 HIS H H 8.779 0.030 1
1133 111 111 HIS HA H 6.101 0.030 1
1134 111 111 HIS HB2 H 3.085 0.030 2
1135 111 111 HIS HB3 H 2.946 0.030 2
1136 111 111 HIS HD2 H 6.934 0.030 1
1137 111 111 HIS HE1 H 7.545 0.030 1
1138 111 111 HIS C C 176.025 0.300 1
1139 111 111 HIS CA C 55.406 0.300 1
1140 111 111 HIS CB C 34.336 0.300 1
1141 111 111 HIS CD2 C 119.347 0.300 1
1142 111 111 HIS CE1 C 138.374 0.300 1
1143 111 111 HIS N N 119.854 0.300 1
1144 112 112 ALA H H 9.059 0.030 1
1145 112 112 ALA HA H 4.708 0.030 1
1146 112 112 ALA HB H 1.279 0.030 1
1147 112 112 ALA C C 175.198 0.300 1
1148 112 112 ALA CA C 52.451 0.300 1
1149 112 112 ALA CB C 23.769 0.300 1
1150 112 112 ALA N N 121.010 0.300 1
1151 113 113 THR H H 8.527 0.030 1
1152 113 113 THR HA H 5.316 0.030 1
1153 113 113 THR HB H 3.832 0.030 1
1154 113 113 THR HG2 H 1.145 0.030 1
1155 113 113 THR C C 175.023 0.300 1
1156 113 113 THR CA C 60.582 0.300 1
1157 113 113 THR CB C 69.921 0.300 1
1158 113 113 THR CG2 C 20.573 0.300 1
1159 113 113 THR N N 118.428 0.300 1
1160 114 114 THR H H 8.633 0.030 1
1161 114 114 THR HA H 3.832 0.030 1
1162 114 114 THR HB H 4.659 0.030 1
1163 114 114 THR HG2 H 1.078 0.030 1
1164 114 114 THR C C 175.342 0.300 1
1165 114 114 THR CA C 61.757 0.300 1
1166 114 114 THR CB C 69.295 0.300 1
1167 114 114 THR CG2 C 25.123 0.300 1
1168 114 114 THR N N 116.469 0.300 1
1169 115 115 TYR H H 6.853 0.030 1
1170 115 115 TYR HA H 4.504 0.030 1
1171 115 115 TYR HB2 H 2.394 0.030 2
1172 115 115 TYR HB3 H 3.488 0.030 2
1173 115 115 TYR HD1 H 7.065 0.030 1
1174 115 115 TYR HD2 H 7.065 0.030 1
1175 115 115 TYR HE1 H 6.744 0.030 1
1176 115 115 TYR HE2 H 6.744 0.030 1
1177 115 115 TYR C C 175.952 0.300 1
1178 115 115 TYR CA C 57.790 0.300 1
1179 115 115 TYR CB C 38.771 0.300 1
1180 115 115 TYR CD1 C 131.814 0.300 1
1181 115 115 TYR CD2 C 131.814 0.300 1
1182 115 115 TYR CE1 C 118.622 0.300 1
1183 115 115 TYR CE2 C 118.622 0.300 1
1184 115 115 TYR N N 117.025 0.300 1
1185 116 116 GLU H H 8.569 0.030 1
1186 116 116 GLU HA H 4.309 0.030 1
1187 116 116 GLU HB2 H 2.091 0.030 2
1188 116 116 GLU HB3 H 1.976 0.030 2
1189 116 116 GLU HG2 H 2.384 0.030 2
1190 116 116 GLU HG3 H 2.239 0.030 2
1191 116 116 GLU C C 176.409 0.300 1
1192 116 116 GLU CA C 56.993 0.300 1
1193 116 116 GLU CB C 30.838 0.300 1
1194 116 116 GLU CG C 36.641 0.300 1
1195 116 116 GLU N N 118.029 0.300 1
1196 117 117 ALA H H 8.818 0.030 1
1197 117 117 ALA HA H 4.082 0.030 1
1198 117 117 ALA HB H 1.206 0.030 1
1199 117 117 ALA C C 177.266 0.300 1
1200 117 117 ALA CA C 52.294 0.300 1
1201 117 117 ALA CB C 19.176 0.300 1
1202 117 117 ALA N N 124.843 0.300 1
1203 118 118 SER H H 8.080 0.030 1
1204 118 118 SER HA H 4.409 0.030 1
1205 118 118 SER HB2 H 3.820 0.030 2
1206 118 118 SER HB3 H 3.779 0.030 2
1207 118 118 SER C C 174.514 0.300 1
1208 118 118 SER CA C 58.137 0.300 1
1209 118 118 SER CB C 63.996 0.300 1
1210 118 118 SER N N 115.458 0.300 1
1211 119 119 GLY H H 8.210 0.030 1
1212 119 119 GLY HA2 H 4.074 0.030 2
1213 119 119 GLY HA3 H 4.124 0.030 2
1214 119 119 GLY C C 171.753 0.300 1
1215 119 119 GLY CA C 44.612 0.300 1
1216 119 119 GLY N N 110.573 0.300 1
1217 120 120 PRO HA H 4.458 0.030 1
1218 120 120 PRO HB2 H 2.263 0.030 2
1219 120 120 PRO HB3 H 1.946 0.030 2
1220 120 120 PRO HD2 H 3.609 0.030 2
1221 120 120 PRO HD3 H 3.584 0.030 2
1222 120 120 PRO HG2 H 1.989 0.030 2
1223 120 120 PRO C C 177.349 0.300 1
1224 120 120 PRO CA C 63.261 0.300 1
1225 120 120 PRO CB C 32.147 0.300 1
1226 120 120 PRO CD C 49.771 0.300 1
1227 120 120 PRO CG C 27.039 0.300 1
1228 121 121 SER H H 8.498 0.030 1
1229 121 121 SER C C 177.373 0.300 1
1230 121 121 SER CA C 58.219 0.300 1
1231 121 121 SER CB C 63.896 0.300 1
1232 121 121 SER N N 116.474 0.300 1
stop_
save_