data_11224
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the SH3 domain from Phospholipase C, gamma 2
;
_BMRB_accession_number 11224
_BMRB_flat_file_name bmr11224.str
_Entry_type original
_Submission_date 2010-07-23
_Accession_date 2010-07-23
_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 Qin X. . .
2 Nagashima T. . .
3 Hayahsi F. . .
4 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" 382
"13C chemical shifts" 284
"15N chemical shifts" 63
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-03 original author .
stop_
_Original_release_date 2011-08-03
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the SH3 domain from Phospholipase C, gamma 2'
_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 Qin X. . .
2 Nagashima T. . .
3 Hayashi F. . .
4 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 'Phospholipase C, gamma 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'SH3 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 'SH3 domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 69
_Mol_residue_sequence
;
GSSGSSGRTVKALYDYKAKR
SDELTFCRGALIHNVSKEPG
GWWKGDYGTRIQQYFPSNYV
EDISGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ARG 9 THR 10 VAL
11 LYS 12 ALA 13 LEU 14 TYR 15 ASP
16 TYR 17 LYS 18 ALA 19 LYS 20 ARG
21 SER 22 ASP 23 GLU 24 LEU 25 THR
26 PHE 27 CYS 28 ARG 29 GLY 30 ALA
31 LEU 32 ILE 33 HIS 34 ASN 35 VAL
36 SER 37 LYS 38 GLU 39 PRO 40 GLY
41 GLY 42 TRP 43 TRP 44 LYS 45 GLY
46 ASP 47 TYR 48 GLY 49 THR 50 ARG
51 ILE 52 GLN 53 GLN 54 TYR 55 PHE
56 PRO 57 SER 58 ASN 59 TYR 60 VAL
61 GLU 62 ASP 63 ILE 64 SER 65 GLY
66 PRO 67 SER 68 SER 69 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-20
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 2EQI "Solution Structure Of The Sh3 Domain From Phospholipase C, Gamma 2" 100.00 69 100.00 100.00 4.35e-42
DBJ BAD92151 "1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 2 variant [Homo sapiens]" 82.61 1278 98.25 100.00 4.37e-32
DBJ BAG10628 "phospholipase C, gamma 2 [synthetic construct]" 82.61 1265 98.25 100.00 4.55e-32
DBJ BAG65485 "unnamed protein product [Homo sapiens]" 82.61 1132 98.25 100.00 5.16e-32
EMBL CAA32194 "unnamed protein product [Homo sapiens]" 82.61 1252 98.25 100.00 5.07e-32
GB AAA41896 "phospholipase C type IV (PLP IV) [Rattus norvegicus]" 84.06 1265 98.28 98.28 1.44e-32
GB AAA60112 "phospholipase C [Homo sapiens]" 82.61 1252 98.25 100.00 5.07e-32
GB AAH07565 "PLCG2 protein [Homo sapiens]" 82.61 1265 98.25 100.00 4.87e-32
GB AAH11772 "PLCG2 protein [Homo sapiens]" 82.61 1265 98.25 100.00 4.87e-32
GB AAH14561 "PLCG2 protein [Homo sapiens]" 82.61 1265 98.25 100.00 4.87e-32
REF NP_002652 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Homo sapiens]" 82.61 1265 98.25 100.00 4.55e-32
REF NP_058864 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Rattus norvegicus]" 84.06 1265 98.28 98.28 1.44e-32
REF NP_758489 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Mus musculus]" 84.06 1265 98.28 98.28 1.22e-32
REF XP_001148089 "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 isoform X1 [Pan troglodytes]" 82.61 1265 98.25 100.00 4.55e-32
REF XP_001502048 "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Equus caballus]" 82.61 1265 98.25 100.00 4.55e-32
SP P16885 "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" 82.61 1265 98.25 100.00 4.55e-32
SP P24135 "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" 84.06 1265 98.28 98.28 1.44e-32
SP Q8CIH5 "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" 84.06 1265 98.28 98.28 1.22e-32
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 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P050815-04
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.06mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.06 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_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
varian . .
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 0.9820
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
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# 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 293 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
$VNMR
$NMRPipe
$NMRVIEW
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'SH3 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 5 5 SER HA H 4.520 0.030 1
2 5 5 SER HB2 H 3.844 0.030 1
3 5 5 SER HB3 H 3.844 0.030 1
4 5 5 SER C C 175.015 0.300 1
5 5 5 SER CA C 58.080 0.300 1
6 5 5 SER CB C 63.853 0.300 1
7 6 6 SER H H 8.562 0.030 1
8 6 6 SER HA H 4.467 0.030 1
9 6 6 SER HB2 H 3.927 0.030 1
10 6 6 SER HB3 H 3.927 0.030 1
11 6 6 SER C C 175.245 0.300 1
12 6 6 SER CA C 58.812 0.300 1
13 6 6 SER CB C 64.034 0.300 1
14 6 6 SER N N 118.159 0.300 1
15 7 7 GLY H H 8.500 0.030 1
16 7 7 GLY HA2 H 4.023 0.030 1
17 7 7 GLY HA3 H 4.023 0.030 1
18 7 7 GLY C C 174.094 0.300 1
19 7 7 GLY CA C 45.803 0.300 1
20 7 7 GLY N N 110.237 0.300 1
21 8 8 ARG H H 8.390 0.030 1
22 8 8 ARG HA H 4.496 0.030 1
23 8 8 ARG HB2 H 1.995 0.030 2
24 8 8 ARG HB3 H 1.762 0.030 2
25 8 8 ARG HD2 H 3.138 0.030 2
26 8 8 ARG HD3 H 3.059 0.030 2
27 8 8 ARG HG2 H 1.645 0.030 2
28 8 8 ARG HG3 H 1.464 0.030 2
29 8 8 ARG C C 174.620 0.300 1
30 8 8 ARG CA C 55.582 0.300 1
31 8 8 ARG CB C 30.635 0.300 1
32 8 8 ARG CD C 42.877 0.300 1
33 8 8 ARG CG C 27.066 0.300 1
34 8 8 ARG N N 120.950 0.300 1
35 9 9 THR H H 8.410 0.030 1
36 9 9 THR HA H 5.324 0.030 1
37 9 9 THR HB H 3.853 0.030 1
38 9 9 THR HG2 H 1.078 0.030 1
39 9 9 THR C C 174.058 0.300 1
40 9 9 THR CA C 61.948 0.300 1
41 9 9 THR CB C 70.749 0.300 1
42 9 9 THR CG2 C 22.890 0.300 1
43 9 9 THR N N 120.523 0.300 1
44 10 10 VAL H H 8.851 0.030 1
45 10 10 VAL HA H 5.046 0.030 1
46 10 10 VAL HB H 1.985 0.030 1
47 10 10 VAL HG1 H 0.959 0.030 1
48 10 10 VAL HG2 H 0.613 0.030 1
49 10 10 VAL C C 172.185 0.300 1
50 10 10 VAL CA C 57.944 0.300 1
51 10 10 VAL CB C 35.152 0.300 1
52 10 10 VAL CG1 C 20.844 0.300 2
53 10 10 VAL CG2 C 20.557 0.300 2
54 10 10 VAL N N 117.705 0.300 1
55 11 11 LYS H H 8.901 0.030 1
56 11 11 LYS HA H 5.212 0.030 1
57 11 11 LYS HB2 H 1.611 0.030 2
58 11 11 LYS HB3 H 1.292 0.030 2
59 11 11 LYS HD2 H 1.587 0.030 1
60 11 11 LYS HD3 H 1.587 0.030 1
61 11 11 LYS HE2 H 2.886 0.030 2
62 11 11 LYS HE3 H 2.827 0.030 2
63 11 11 LYS HG2 H 1.135 0.030 2
64 11 11 LYS HG3 H 1.100 0.030 2
65 11 11 LYS C C 176.259 0.300 1
66 11 11 LYS CA C 53.193 0.300 1
67 11 11 LYS CB C 36.426 0.300 1
68 11 11 LYS CD C 29.637 0.300 1
69 11 11 LYS CE C 41.767 0.300 1
70 11 11 LYS CG C 24.395 0.300 1
71 11 11 LYS N N 120.487 0.300 1
72 12 12 ALA H H 9.111 0.030 1
73 12 12 ALA HA H 4.363 0.030 1
74 12 12 ALA HB H 1.359 0.030 1
75 12 12 ALA C C 179.071 0.300 1
76 12 12 ALA CA C 52.653 0.300 1
77 12 12 ALA CB C 20.768 0.300 1
78 12 12 ALA N N 127.292 0.300 1
79 13 13 LEU H H 9.615 0.030 1
80 13 13 LEU HA H 3.957 0.030 1
81 13 13 LEU HB2 H 0.495 0.030 2
82 13 13 LEU HB3 H 0.821 0.030 2
83 13 13 LEU HD1 H 0.605 0.030 1
84 13 13 LEU HD2 H 0.595 0.030 1
85 13 13 LEU HG H 1.222 0.030 1
86 13 13 LEU C C 175.322 0.300 1
87 13 13 LEU CA C 55.322 0.300 1
88 13 13 LEU CB C 43.460 0.300 1
89 13 13 LEU CD1 C 25.369 0.300 2
90 13 13 LEU CD2 C 22.072 0.300 2
91 13 13 LEU CG C 26.847 0.300 1
92 13 13 LEU N N 126.387 0.300 1
93 14 14 TYR H H 7.087 0.030 1
94 14 14 TYR HA H 4.890 0.030 1
95 14 14 TYR HB2 H 3.264 0.030 2
96 14 14 TYR HB3 H 2.454 0.030 2
97 14 14 TYR HD1 H 6.648 0.030 1
98 14 14 TYR HD2 H 6.648 0.030 1
99 14 14 TYR HE1 H 6.622 0.030 1
100 14 14 TYR HE2 H 6.622 0.030 1
101 14 14 TYR C C 173.441 0.300 1
102 14 14 TYR CA C 53.865 0.300 1
103 14 14 TYR CB C 42.547 0.300 1
104 14 14 TYR CD1 C 133.718 0.300 1
105 14 14 TYR CD2 C 133.718 0.300 1
106 14 14 TYR CE1 C 117.436 0.300 1
107 14 14 TYR CE2 C 117.436 0.300 1
108 14 14 TYR N N 113.029 0.300 1
109 15 15 ASP H H 8.385 0.030 1
110 15 15 ASP HA H 4.676 0.030 1
111 15 15 ASP HB2 H 2.802 0.030 2
112 15 15 ASP HB3 H 2.622 0.030 2
113 15 15 ASP C C 175.706 0.300 1
114 15 15 ASP CA C 54.370 0.300 1
115 15 15 ASP CB C 41.544 0.300 1
116 15 15 ASP N N 118.012 0.300 1
117 16 16 TYR H H 8.479 0.030 1
118 16 16 TYR HA H 4.440 0.030 1
119 16 16 TYR HB2 H 2.362 0.030 2
120 16 16 TYR HB3 H 1.084 0.030 2
121 16 16 TYR HD1 H 6.805 0.030 1
122 16 16 TYR HD2 H 6.805 0.030 1
123 16 16 TYR HE1 H 6.931 0.030 1
124 16 16 TYR HE2 H 6.931 0.030 1
125 16 16 TYR C C 172.928 0.300 1
126 16 16 TYR CA C 58.954 0.300 1
127 16 16 TYR CB C 42.485 0.300 1
128 16 16 TYR CD1 C 133.036 0.300 1
129 16 16 TYR CD2 C 133.036 0.300 1
130 16 16 TYR CE1 C 117.787 0.300 1
131 16 16 TYR CE2 C 117.787 0.300 1
132 16 16 TYR N N 120.566 0.300 1
133 17 17 LYS H H 7.054 0.030 1
134 17 17 LYS HA H 4.299 0.030 1
135 17 17 LYS HB2 H 1.479 0.030 2
136 17 17 LYS HB3 H 1.392 0.030 2
137 17 17 LYS HD2 H 1.587 0.030 1
138 17 17 LYS HD3 H 1.587 0.030 1
139 17 17 LYS HE2 H 2.933 0.030 1
140 17 17 LYS HE3 H 2.933 0.030 1
141 17 17 LYS HG2 H 1.246 0.030 1
142 17 17 LYS HG3 H 1.246 0.030 1
143 17 17 LYS C C 173.293 0.300 1
144 17 17 LYS CA C 53.981 0.300 1
145 17 17 LYS CB C 33.803 0.300 1
146 17 17 LYS CD C 29.174 0.300 1
147 17 17 LYS CE C 42.118 0.300 1
148 17 17 LYS CG C 24.747 0.300 1
149 17 17 LYS N N 128.095 0.300 1
150 18 18 ALA H H 7.737 0.030 1
151 18 18 ALA HA H 4.237 0.030 1
152 18 18 ALA HB H 1.377 0.030 1
153 18 18 ALA C C 179.006 0.300 1
154 18 18 ALA CA C 53.450 0.300 1
155 18 18 ALA CB C 21.226 0.300 1
156 18 18 ALA N N 126.248 0.300 1
157 19 19 LYS H H 9.020 0.030 1
158 19 19 LYS HA H 4.390 0.030 1
159 19 19 LYS HB2 H 1.973 0.030 1
160 19 19 LYS HB3 H 1.973 0.030 1
161 19 19 LYS HD2 H 1.762 0.030 1
162 19 19 LYS HD3 H 1.762 0.030 1
163 19 19 LYS HE2 H 3.091 0.030 1
164 19 19 LYS HE3 H 3.091 0.030 1
165 19 19 LYS HG2 H 1.522 0.030 2
166 19 19 LYS HG3 H 1.628 0.030 2
167 19 19 LYS C C 176.105 0.300 1
168 19 19 LYS CA C 55.409 0.300 1
169 19 19 LYS CB C 33.563 0.300 1
170 19 19 LYS CD C 28.672 0.300 1
171 19 19 LYS CE C 42.412 0.300 1
172 19 19 LYS CG C 24.904 0.300 1
173 19 19 LYS N N 120.613 0.300 1
174 20 20 ARG H H 7.212 0.030 1
175 20 20 ARG HA H 4.608 0.030 1
176 20 20 ARG HB2 H 1.386 0.030 2
177 20 20 ARG HB3 H 1.542 0.030 2
178 20 20 ARG HD2 H 3.150 0.030 1
179 20 20 ARG HD3 H 3.150 0.030 1
180 20 20 ARG HG2 H 1.615 0.030 1
181 20 20 ARG HG3 H 1.615 0.030 1
182 20 20 ARG C C 177.579 0.300 1
183 20 20 ARG CA C 54.257 0.300 1
184 20 20 ARG CB C 35.479 0.300 1
185 20 20 ARG CD C 43.307 0.300 1
186 20 20 ARG CG C 26.774 0.300 1
187 20 20 ARG N N 116.347 0.300 1
188 21 21 SER H H 8.883 0.030 1
189 22 22 ASP H H 7.357 0.030 1
190 22 22 ASP HA H 4.468 0.030 1
191 22 22 ASP HB2 H 2.756 0.030 2
192 22 22 ASP HB3 H 2.674 0.030 2
193 22 22 ASP CA C 54.915 0.300 1
194 22 22 ASP CB C 40.373 0.300 1
195 22 22 ASP N N 115.528 0.300 1
196 23 23 GLU H H 9.066 0.030 1
197 23 23 GLU HA H 5.558 0.030 1
198 23 23 GLU HB2 H 2.667 0.030 2
199 23 23 GLU HB3 H 2.321 0.030 2
200 23 23 GLU HG2 H 2.275 0.030 2
201 23 23 GLU HG3 H 2.238 0.030 2
202 23 23 GLU C C 177.718 0.300 1
203 23 23 GLU CA C 54.124 0.300 1
204 23 23 GLU CB C 33.813 0.300 1
205 23 23 GLU CG C 36.924 0.300 1
206 24 24 LEU H H 8.849 0.030 1
207 24 24 LEU HA H 4.518 0.030 1
208 24 24 LEU HB2 H 1.997 0.030 2
209 24 24 LEU HB3 H 1.640 0.030 2
210 24 24 LEU HD1 H 1.117 0.030 1
211 24 24 LEU HD2 H 0.760 0.030 1
212 24 24 LEU HG H 1.823 0.030 1
213 24 24 LEU C C 174.640 0.300 1
214 24 24 LEU CA C 54.676 0.300 1
215 24 24 LEU CB C 45.750 0.300 1
216 24 24 LEU CD1 C 25.002 0.300 2
217 24 24 LEU CD2 C 26.394 0.300 2
218 24 24 LEU CG C 26.909 0.300 1
219 24 24 LEU N N 119.684 0.300 1
220 25 25 THR H H 7.387 0.030 1
221 25 25 THR HA H 4.798 0.030 1
222 25 25 THR HB H 4.001 0.030 1
223 25 25 THR HG2 H 1.378 0.030 1
224 25 25 THR C C 174.577 0.300 1
225 25 25 THR CA C 61.791 0.300 1
226 25 25 THR CB C 71.941 0.300 1
227 25 25 THR CG2 C 22.005 0.300 1
228 25 25 THR N N 112.717 0.300 1
229 26 26 PHE H H 8.691 0.030 1
230 26 26 PHE HA H 5.008 0.030 1
231 26 26 PHE HB2 H 2.466 0.030 2
232 26 26 PHE HB3 H 2.588 0.030 2
233 26 26 PHE HD1 H 6.623 0.030 1
234 26 26 PHE HD2 H 6.623 0.030 1
235 26 26 PHE HE1 H 7.221 0.030 1
236 26 26 PHE HE2 H 7.221 0.030 1
237 26 26 PHE HZ H 6.660 0.030 1
238 26 26 PHE C C 173.748 0.300 1
239 26 26 PHE CA C 55.572 0.300 1
240 26 26 PHE CB C 39.766 0.300 1
241 26 26 PHE CD1 C 132.500 0.300 1
242 26 26 PHE CD2 C 132.500 0.300 1
243 26 26 PHE CE1 C 130.870 0.300 1
244 26 26 PHE CE2 C 130.870 0.300 1
245 26 26 PHE CZ C 128.000 0.300 1
246 26 26 PHE N N 120.469 0.300 1
247 27 27 CYS H H 7.999 0.030 1
248 27 27 CYS HA H 5.200 0.030 1
249 27 27 CYS HB2 H 3.045 0.030 2
250 27 27 CYS HB3 H 2.967 0.030 2
251 27 27 CYS C C 173.632 0.300 1
252 27 27 CYS CA C 55.560 0.300 1
253 27 27 CYS CB C 31.388 0.300 1
254 27 27 CYS N N 116.804 0.300 1
255 28 28 ARG H H 9.050 0.030 1
256 28 28 ARG HA H 3.327 0.030 1
257 28 28 ARG HB2 H 1.649 0.030 2
258 28 28 ARG HB3 H 1.526 0.030 2
259 28 28 ARG HD2 H 3.221 0.030 2
260 28 28 ARG HD3 H 3.155 0.030 2
261 28 28 ARG HG2 H 1.392 0.030 1
262 28 28 ARG HG3 H 1.392 0.030 1
263 28 28 ARG C C 176.244 0.300 1
264 28 28 ARG CA C 58.291 0.300 1
265 28 28 ARG CB C 30.168 0.300 1
266 28 28 ARG CD C 43.509 0.300 1
267 28 28 ARG CG C 26.663 0.300 1
268 28 28 ARG N N 120.972 0.300 1
269 29 29 GLY H H 8.827 0.030 1
270 29 29 GLY HA2 H 4.415 0.030 2
271 29 29 GLY HA3 H 3.345 0.030 2
272 29 29 GLY C C 173.414 0.300 1
273 29 29 GLY CA C 44.700 0.300 1
274 29 29 GLY N N 115.186 0.300 1
275 30 30 ALA H H 7.950 0.030 1
276 30 30 ALA HA H 4.157 0.030 1
277 30 30 ALA HB H 1.247 0.030 1
278 30 30 ALA C C 175.691 0.300 1
279 30 30 ALA CA C 52.921 0.300 1
280 30 30 ALA CB C 19.595 0.300 1
281 30 30 ALA N N 123.388 0.300 1
282 31 31 LEU H H 8.113 0.030 1
283 31 31 LEU HA H 5.004 0.030 1
284 31 31 LEU HB2 H 1.772 0.030 2
285 31 31 LEU HB3 H 0.838 0.030 2
286 31 31 LEU HD1 H 0.969 0.030 1
287 31 31 LEU HD2 H 0.738 0.030 1
288 31 31 LEU HG H 1.727 0.030 1
289 31 31 LEU C C 175.043 0.300 1
290 31 31 LEU CA C 53.189 0.300 1
291 31 31 LEU CB C 42.581 0.300 1
292 31 31 LEU CD1 C 25.450 0.300 2
293 31 31 LEU CD2 C 23.223 0.300 2
294 31 31 LEU CG C 26.986 0.300 1
295 31 31 LEU N N 119.873 0.300 1
296 32 32 ILE H H 8.270 0.030 1
297 32 32 ILE HA H 4.214 0.030 1
298 32 32 ILE HB H 0.826 0.030 1
299 32 32 ILE HD1 H -1.037 0.030 1
300 32 32 ILE HG12 H -0.117 0.030 2
301 32 32 ILE HG13 H 0.493 0.030 2
302 32 32 ILE HG2 H 0.320 0.030 1
303 32 32 ILE C C 174.969 0.300 1
304 32 32 ILE CA C 60.369 0.300 1
305 32 32 ILE CB C 39.237 0.300 1
306 32 32 ILE CD1 C 12.295 0.300 1
307 32 32 ILE CG1 C 27.228 0.300 1
308 32 32 ILE CG2 C 18.237 0.300 1
309 32 32 ILE N N 124.151 0.300 1
310 33 33 HIS H H 8.588 0.030 1
311 33 33 HIS HA H 5.095 0.030 1
312 33 33 HIS HB2 H 3.199 0.030 2
313 33 33 HIS HB3 H 2.896 0.030 2
314 33 33 HIS HD2 H 7.123 0.030 1
315 33 33 HIS HE1 H 7.817 0.030 1
316 33 33 HIS C C 175.150 0.300 1
317 33 33 HIS CA C 55.880 0.300 1
318 33 33 HIS CB C 34.710 0.300 1
319 33 33 HIS CD2 C 120.430 0.300 1
320 33 33 HIS CE1 C 137.900 0.300 1
321 33 33 HIS N N 123.038 0.300 1
322 34 34 ASN H H 9.448 0.030 1
323 34 34 ASN HA H 4.247 0.030 1
324 34 34 ASN HB2 H 2.770 0.030 1
325 34 34 ASN HB3 H 2.770 0.030 1
326 34 34 ASN HD21 H 6.913 0.030 2
327 34 34 ASN HD22 H 8.032 0.030 2
328 34 34 ASN C C 175.589 0.300 1
329 34 34 ASN CA C 54.037 0.300 1
330 34 34 ASN CB C 36.881 0.300 1
331 34 34 ASN N N 117.406 0.300 1
332 34 34 ASN ND2 N 115.695 0.300 1
333 35 35 VAL H H 9.059 0.030 1
334 35 35 VAL HA H 4.663 0.030 1
335 35 35 VAL HB H 1.735 0.030 1
336 35 35 VAL HG1 H 1.097 0.030 1
337 35 35 VAL HG2 H 0.825 0.030 1
338 35 35 VAL C C 177.758 0.300 1
339 35 35 VAL CA C 63.834 0.300 1
340 35 35 VAL CB C 32.146 0.300 1
341 35 35 VAL CG1 C 24.710 0.300 2
342 35 35 VAL CG2 C 22.480 0.300 2
343 35 35 VAL N N 118.624 0.300 1
344 36 36 SER H H 9.426 0.030 1
345 36 36 SER HA H 4.567 0.030 1
346 36 36 SER HB2 H 3.830 0.030 2
347 36 36 SER HB3 H 3.749 0.030 2
348 36 36 SER C C 174.089 0.300 1
349 36 36 SER CA C 56.533 0.300 1
350 36 36 SER CB C 63.828 0.300 1
351 36 36 SER N N 124.576 0.300 1
352 37 37 LYS H H 8.382 0.030 1
353 37 37 LYS HA H 2.889 0.030 1
354 37 37 LYS HB2 H 1.265 0.030 2
355 37 37 LYS HB3 H 0.876 0.030 2
356 37 37 LYS HD2 H 0.970 0.030 2
357 37 37 LYS HD3 H 1.179 0.030 2
358 37 37 LYS HE2 H 2.072 0.030 2
359 37 37 LYS HE3 H 2.294 0.030 2
360 37 37 LYS HG2 H -1.180 0.030 2
361 37 37 LYS HG3 H 0.522 0.030 2
362 37 37 LYS C C 175.669 0.300 1
363 37 37 LYS CA C 55.619 0.300 1
364 37 37 LYS CB C 31.834 0.300 1
365 37 37 LYS CD C 29.905 0.300 1
366 37 37 LYS CE C 41.408 0.300 1
367 37 37 LYS CG C 24.802 0.300 1
368 37 37 LYS N N 127.425 0.300 1
369 38 38 GLU H H 7.048 0.030 1
370 38 38 GLU HA H 4.617 0.030 1
371 38 38 GLU HB2 H 2.359 0.030 1
372 38 38 GLU HB3 H 2.359 0.030 1
373 38 38 GLU HG2 H 2.373 0.030 1
374 38 38 GLU HG3 H 2.373 0.030 1
375 38 38 GLU C C 173.595 0.300 1
376 38 38 GLU CA C 54.513 0.300 1
377 38 38 GLU CB C 30.661 0.300 1
378 38 38 GLU CG C 36.240 0.300 1
379 38 38 GLU N N 123.811 0.300 1
380 39 39 PRO HA H 4.594 0.030 1
381 39 39 PRO HB2 H 2.411 0.030 2
382 39 39 PRO HB3 H 1.984 0.030 2
383 39 39 PRO HD2 H 3.845 0.030 2
384 39 39 PRO HD3 H 3.755 0.030 2
385 39 39 PRO HG2 H 2.062 0.030 2
386 39 39 PRO HG3 H 2.128 0.030 2
387 39 39 PRO CA C 63.526 0.300 1
388 39 39 PRO CB C 32.121 0.300 1
389 39 39 PRO CD C 50.577 0.300 1
390 39 39 PRO CG C 27.673 0.300 1
391 40 40 GLY H H 8.889 0.030 1
392 40 40 GLY HA2 H 4.513 0.030 2
393 40 40 GLY HA3 H 3.852 0.030 2
394 40 40 GLY C C 175.637 0.300 1
395 40 40 GLY CA C 45.352 0.300 1
396 41 41 GLY H H 8.692 0.030 1
397 41 41 GLY HA2 H 3.872 0.030 2
398 41 41 GLY HA3 H 3.580 0.030 2
399 41 41 GLY C C 173.548 0.300 1
400 41 41 GLY CA C 45.221 0.300 1
401 41 41 GLY N N 107.195 0.300 1
402 42 42 TRP H H 7.986 0.030 1
403 42 42 TRP HA H 4.754 0.030 1
404 42 42 TRP HB2 H 2.967 0.030 2
405 42 42 TRP HB3 H 2.894 0.030 2
406 42 42 TRP HD1 H 7.019 0.030 1
407 42 42 TRP HE1 H 9.964 0.030 1
408 42 42 TRP HE3 H 7.087 0.030 1
409 42 42 TRP HH2 H 7.248 0.030 1
410 42 42 TRP HZ2 H 7.347 0.030 1
411 42 42 TRP HZ3 H 6.514 0.030 1
412 42 42 TRP CA C 56.585 0.300 1
413 42 42 TRP CB C 30.097 0.300 1
414 42 42 TRP CD1 C 126.312 0.300 1
415 42 42 TRP CE3 C 119.033 0.300 1
416 42 42 TRP CH2 C 125.153 0.300 1
417 42 42 TRP CZ2 C 114.464 0.300 1
418 42 42 TRP CZ3 C 120.430 0.300 1
419 42 42 TRP N N 121.873 0.300 1
420 42 42 TRP NE1 N 129.160 0.300 1
421 43 43 TRP H H 8.149 0.030 1
422 43 43 TRP HA H 5.143 0.030 1
423 43 43 TRP HB2 H 2.772 0.030 2
424 43 43 TRP HB3 H 1.851 0.030 2
425 43 43 TRP HD1 H 7.364 0.030 1
426 43 43 TRP HE1 H 10.163 0.030 1
427 43 43 TRP HE3 H 7.295 0.030 1
428 43 43 TRP HH2 H 7.274 0.030 1
429 43 43 TRP HZ2 H 7.530 0.030 1
430 43 43 TRP HZ3 H 6.920 0.030 1
431 43 43 TRP C C 178.762 0.300 1
432 43 43 TRP CA C 52.208 0.300 1
433 43 43 TRP CB C 33.261 0.300 1
434 43 43 TRP CD1 C 123.301 0.300 1
435 43 43 TRP CE3 C 120.009 0.300 1
436 43 43 TRP CH2 C 125.153 0.300 1
437 43 43 TRP CZ2 C 114.890 0.300 1
438 43 43 TRP CZ3 C 121.495 0.300 1
439 43 43 TRP N N 125.220 0.300 1
440 43 43 TRP NE1 N 128.490 0.300 1
441 44 44 LYS H H 7.940 0.030 1
442 44 44 LYS HA H 5.309 0.030 1
443 44 44 LYS HB2 H 0.873 0.030 2
444 44 44 LYS HB3 H 1.297 0.030 2
445 44 44 LYS HD2 H 1.333 0.030 1
446 44 44 LYS HD3 H 1.333 0.030 1
447 44 44 LYS HE2 H 2.659 0.030 1
448 44 44 LYS HE3 H 2.659 0.030 1
449 44 44 LYS HG2 H 0.401 0.030 2
450 44 44 LYS HG3 H 1.018 0.030 2
451 44 44 LYS C C 176.840 0.300 1
452 44 44 LYS CA C 54.115 0.300 1
453 44 44 LYS CB C 36.617 0.300 1
454 44 44 LYS CD C 29.611 0.300 1
455 44 44 LYS CE C 41.851 0.300 1
456 44 44 LYS CG C 25.353 0.300 1
457 44 44 LYS N N 114.451 0.300 1
458 45 45 GLY H H 9.259 0.030 1
459 45 45 GLY HA2 H 4.384 0.030 2
460 45 45 GLY HA3 H 3.742 0.030 2
461 45 45 GLY C C 169.798 0.300 1
462 45 45 GLY CA C 45.967 0.300 1
463 45 45 GLY N N 105.694 0.300 1
464 46 46 ASP H H 9.210 0.030 1
465 46 46 ASP HA H 5.487 0.030 1
466 46 46 ASP HB2 H 2.820 0.030 2
467 46 46 ASP HB3 H 2.574 0.030 2
468 46 46 ASP C C 175.422 0.300 1
469 46 46 ASP CA C 52.670 0.300 1
470 46 46 ASP CB C 41.404 0.300 1
471 46 46 ASP N N 119.041 0.300 1
472 47 47 TYR H H 8.390 0.030 1
473 47 47 TYR HA H 4.884 0.030 1
474 47 47 TYR HB2 H 3.097 0.030 2
475 47 47 TYR HB3 H 2.784 0.030 2
476 47 47 TYR HD1 H 7.436 0.030 1
477 47 47 TYR HD2 H 7.436 0.030 1
478 47 47 TYR HE1 H 7.100 0.030 1
479 47 47 TYR HE2 H 7.100 0.030 1
480 47 47 TYR C C 175.912 0.300 1
481 47 47 TYR CA C 58.331 0.300 1
482 47 47 TYR CB C 42.768 0.300 1
483 47 47 TYR CD1 C 133.023 0.300 1
484 47 47 TYR CD2 C 133.023 0.300 1
485 47 47 TYR CE1 C 118.543 0.300 1
486 47 47 TYR CE2 C 118.543 0.300 1
487 47 47 TYR N N 121.770 0.300 1
488 48 48 GLY H H 9.004 0.030 1
489 48 48 GLY HA2 H 3.523 0.030 2
490 48 48 GLY HA3 H 3.817 0.030 2
491 48 48 GLY C C 176.239 0.300 1
492 48 48 GLY CA C 46.665 0.300 1
493 48 48 GLY N N 120.953 0.300 1
494 49 49 THR HA H 4.319 0.030 1
495 49 49 THR HB H 4.577 0.030 1
496 49 49 THR HG2 H 1.217 0.030 1
497 49 49 THR C C 174.481 0.300 1
498 49 49 THR CA C 62.185 0.300 1
499 49 49 THR CB C 68.667 0.300 1
500 49 49 THR CG2 C 21.641 0.300 1
501 50 50 ARG H H 8.066 0.030 1
502 50 50 ARG HA H 4.514 0.030 1
503 50 50 ARG HB2 H 2.213 0.030 2
504 50 50 ARG HB3 H 1.759 0.030 2
505 50 50 ARG HD2 H 3.398 0.030 1
506 50 50 ARG HD3 H 3.398 0.030 1
507 50 50 ARG HG2 H 2.053 0.030 2
508 50 50 ARG HG3 H 1.731 0.030 2
509 50 50 ARG C C 175.544 0.300 1
510 50 50 ARG CA C 55.513 0.300 1
511 50 50 ARG CB C 30.852 0.300 1
512 50 50 ARG CD C 42.947 0.300 1
513 50 50 ARG CG C 26.593 0.300 1
514 50 50 ARG N N 121.872 0.300 1
515 51 51 ILE H H 8.567 0.030 1
516 51 51 ILE HA H 4.405 0.030 1
517 51 51 ILE HB H 1.838 0.030 1
518 51 51 ILE HD1 H 0.731 0.030 1
519 51 51 ILE HG12 H 1.400 0.030 2
520 51 51 ILE HG13 H 1.249 0.030 2
521 51 51 ILE HG2 H 0.930 0.030 1
522 51 51 ILE C C 175.579 0.300 1
523 51 51 ILE CA C 58.791 0.300 1
524 51 51 ILE CB C 39.316 0.300 1
525 51 51 ILE CD1 C 10.973 0.300 1
526 51 51 ILE CG1 C 26.614 0.300 1
527 51 51 ILE CG2 C 17.619 0.300 1
528 51 51 ILE N N 123.639 0.300 1
529 52 52 GLN H H 9.962 0.030 1
530 52 52 GLN HA H 3.411 0.030 1
531 52 52 GLN HB2 H 2.121 0.030 2
532 52 52 GLN HB3 H 1.923 0.030 2
533 52 52 GLN HE21 H 7.493 0.030 2
534 52 52 GLN HE22 H 8.401 0.030 2
535 52 52 GLN HG2 H 2.612 0.030 2
536 52 52 GLN HG3 H 2.280 0.030 2
537 52 52 GLN C C 174.240 0.300 1
538 52 52 GLN CA C 55.552 0.300 1
539 52 52 GLN CB C 27.169 0.300 1
540 52 52 GLN CG C 34.147 0.300 1
541 52 52 GLN N N 127.101 0.300 1
542 52 52 GLN NE2 N 118.409 0.300 1
543 53 53 GLN H H 8.725 0.030 1
544 53 53 GLN HA H 4.741 0.030 1
545 53 53 GLN HB2 H 1.719 0.030 2
546 53 53 GLN HB3 H 2.226 0.030 2
547 53 53 GLN HE21 H 6.974 0.030 2
548 53 53 GLN HE22 H 7.213 0.030 2
549 53 53 GLN HG2 H 2.387 0.030 2
550 53 53 GLN HG3 H 2.212 0.030 2
551 53 53 GLN C C 175.856 0.300 1
552 53 53 GLN CA C 53.237 0.300 1
553 53 53 GLN CB C 31.255 0.300 1
554 53 53 GLN CG C 34.619 0.300 1
555 53 53 GLN N N 116.971 0.300 1
556 53 53 GLN NE2 N 112.643 0.300 1
557 54 54 TYR H H 9.078 0.030 1
558 54 54 TYR HA H 5.595 0.030 1
559 54 54 TYR HB2 H 2.872 0.030 2
560 54 54 TYR HB3 H 3.092 0.030 2
561 54 54 TYR HD1 H 7.122 0.030 1
562 54 54 TYR HD2 H 7.122 0.030 1
563 54 54 TYR HE1 H 6.794 0.030 1
564 54 54 TYR HE2 H 6.794 0.030 1
565 54 54 TYR C C 177.213 0.300 1
566 54 54 TYR CA C 59.841 0.300 1
567 54 54 TYR CB C 41.767 0.300 1
568 54 54 TYR CD1 C 133.201 0.300 1
569 54 54 TYR CD2 C 133.201 0.300 1
570 54 54 TYR CE1 C 117.996 0.300 1
571 54 54 TYR CE2 C 117.996 0.300 1
572 54 54 TYR N N 117.265 0.300 1
573 55 55 PHE H H 9.046 0.030 1
574 55 55 PHE HA H 4.943 0.030 1
575 55 55 PHE HB2 H 2.814 0.030 2
576 55 55 PHE HB3 H 3.229 0.030 2
577 55 55 PHE HD1 H 6.968 0.030 1
578 55 55 PHE HD2 H 6.968 0.030 1
579 55 55 PHE HE1 H 6.916 0.030 1
580 55 55 PHE HE2 H 6.916 0.030 1
581 55 55 PHE HZ H 7.221 0.030 1
582 55 55 PHE C C 170.219 0.300 1
583 55 55 PHE CA C 55.777 0.300 1
584 55 55 PHE CB C 39.255 0.300 1
585 55 55 PHE CD1 C 133.432 0.300 1
586 55 55 PHE CD2 C 133.432 0.300 1
587 55 55 PHE CE1 C 129.792 0.300 1
588 55 55 PHE CE2 C 129.792 0.300 1
589 55 55 PHE CZ C 128.752 0.300 1
590 55 55 PHE N N 113.612 0.300 1
591 56 56 PRO HA H 3.590 0.030 1
592 56 56 PRO HB2 H 1.411 0.030 2
593 56 56 PRO HB3 H 1.458 0.030 2
594 56 56 PRO HD2 H 2.611 0.030 2
595 56 56 PRO HD3 H 2.649 0.030 2
596 56 56 PRO HG2 H 0.778 0.030 2
597 56 56 PRO HG3 H 0.487 0.030 2
598 56 56 PRO C C 178.741 0.300 1
599 56 56 PRO CA C 61.359 0.300 1
600 56 56 PRO CB C 30.219 0.300 1
601 56 56 PRO CD C 49.609 0.300 1
602 56 56 PRO CG C 27.169 0.300 1
603 57 57 SER H H 7.850 0.030 1
604 57 57 SER HA H 2.732 0.030 1
605 57 57 SER HB2 H 1.628 0.030 2
606 57 57 SER HB3 H 1.254 0.030 2
607 57 57 SER C C 174.547 0.300 1
608 57 57 SER CA C 60.702 0.300 1
609 57 57 SER CB C 60.459 0.300 1
610 57 57 SER N N 120.966 0.300 1
611 58 58 ASN H H 8.092 0.030 1
612 58 58 ASN HA H 4.593 0.030 1
613 58 58 ASN HB2 H 2.977 0.030 2
614 58 58 ASN HB3 H 2.653 0.030 2
615 58 58 ASN HD21 H 7.526 0.030 2
616 58 58 ASN HD22 H 6.661 0.030 2
617 58 58 ASN C C 175.240 0.300 1
618 58 58 ASN CA C 53.310 0.300 1
619 58 58 ASN CB C 36.119 0.300 1
620 58 58 ASN N N 115.659 0.300 1
621 58 58 ASN ND2 N 111.821 0.300 1
622 59 59 TYR H H 7.804 0.030 1
623 59 59 TYR HA H 4.721 0.030 1
624 59 59 TYR HB2 H 3.548 0.030 2
625 59 59 TYR HB3 H 3.352 0.030 2
626 59 59 TYR HD1 H 7.110 0.030 1
627 59 59 TYR HD2 H 7.110 0.030 1
628 59 59 TYR HE1 H 7.021 0.030 1
629 59 59 TYR HE2 H 7.021 0.030 1
630 59 59 TYR C C 175.202 0.300 1
631 59 59 TYR CA C 58.657 0.300 1
632 59 59 TYR CB C 38.561 0.300 1
633 59 59 TYR CD1 C 132.008 0.300 1
634 59 59 TYR CD2 C 132.008 0.300 1
635 59 59 TYR CE1 C 118.493 0.300 1
636 59 59 TYR CE2 C 118.493 0.300 1
637 59 59 TYR N N 119.183 0.300 1
638 60 60 VAL H H 7.259 0.030 1
639 60 60 VAL HA H 5.342 0.030 1
640 60 60 VAL HB H 1.802 0.030 1
641 60 60 VAL HG1 H 0.419 0.030 1
642 60 60 VAL HG2 H 1.002 0.030 1
643 60 60 VAL C C 173.338 0.300 1
644 60 60 VAL CA C 58.602 0.300 1
645 60 60 VAL CB C 36.114 0.300 1
646 60 60 VAL CG1 C 20.455 0.300 2
647 60 60 VAL CG2 C 18.597 0.300 2
648 60 60 VAL N N 109.092 0.300 1
649 61 61 GLU H H 8.765 0.030 1
650 61 61 GLU HA H 4.846 0.030 1
651 61 61 GLU HB2 H 2.003 0.030 2
652 61 61 GLU HB3 H 1.889 0.030 2
653 61 61 GLU HG2 H 2.169 0.030 1
654 61 61 GLU HG3 H 2.169 0.030 1
655 61 61 GLU C C 174.995 0.300 1
656 61 61 GLU CA C 53.943 0.300 1
657 61 61 GLU CB C 33.650 0.300 1
658 61 61 GLU CG C 35.285 0.300 1
659 61 61 GLU N N 117.839 0.300 1
660 62 62 ASP H H 8.848 0.030 1
661 62 62 ASP HA H 4.682 0.030 1
662 62 62 ASP HB2 H 2.840 0.030 2
663 62 62 ASP HB3 H 2.523 0.030 2
664 62 62 ASP C C 176.827 0.300 1
665 62 62 ASP CA C 55.529 0.300 1
666 62 62 ASP CB C 41.599 0.300 1
667 62 62 ASP N N 123.601 0.300 1
668 63 63 ILE H H 7.952 0.030 1
669 63 63 ILE HA H 4.458 0.030 1
670 63 63 ILE HB H 1.959 0.030 1
671 63 63 ILE HD1 H 0.799 0.030 1
672 63 63 ILE HG12 H 1.272 0.030 2
673 63 63 ILE HG13 H 1.031 0.030 2
674 63 63 ILE HG2 H 0.852 0.030 1
675 63 63 ILE C C 176.032 0.300 1
676 63 63 ILE CA C 60.892 0.300 1
677 63 63 ILE CB C 38.744 0.300 1
678 63 63 ILE CD1 C 13.886 0.300 1
679 63 63 ILE CG1 C 26.739 0.300 1
680 63 63 ILE CG2 C 18.120 0.300 1
681 63 63 ILE N N 119.565 0.300 1
682 64 64 SER H H 8.577 0.030 1
683 64 64 SER HA H 4.522 0.030 1
684 64 64 SER HB2 H 3.930 0.030 1
685 64 64 SER HB3 H 3.930 0.030 1
686 64 64 SER C C 174.490 0.300 1
687 64 64 SER CA C 58.867 0.300 1
688 64 64 SER CB C 64.049 0.300 1
689 64 64 SER N N 119.234 0.300 1
690 65 65 GLY H H 8.276 0.030 1
691 65 65 GLY HA2 H 4.121 0.030 2
692 65 65 GLY HA3 H 4.166 0.030 2
693 65 65 GLY C C 171.768 0.300 1
694 65 65 GLY CA C 44.694 0.300 1
695 65 65 GLY N N 110.508 0.300 1
696 66 66 PRO HA H 4.485 0.030 1
697 66 66 PRO HB2 H 2.303 0.030 2
698 66 66 PRO HB3 H 1.983 0.030 2
699 66 66 PRO HD2 H 3.628 0.030 1
700 66 66 PRO HD3 H 3.628 0.030 1
701 66 66 PRO HG2 H 2.026 0.030 1
702 66 66 PRO HG3 H 2.026 0.030 1
703 66 66 PRO C C 177.445 0.300 1
704 66 66 PRO CA C 63.284 0.300 1
705 66 66 PRO CB C 32.180 0.300 1
706 66 66 PRO CD C 49.756 0.300 1
707 66 66 PRO CG C 27.140 0.300 1
708 67 67 SER H H 8.565 0.030 1
709 67 67 SER HA H 4.520 0.030 1
710 67 67 SER HB2 H 3.929 0.030 1
711 67 67 SER HB3 H 3.929 0.030 1
712 67 67 SER C C 174.680 0.300 1
713 67 67 SER CA C 58.383 0.300 1
714 67 67 SER CB C 63.886 0.300 1
715 67 67 SER N N 116.444 0.300 1
716 68 68 SER H H 8.356 0.030 1
717 68 68 SER HA H 4.502 0.030 1
718 68 68 SER HB2 H 3.878 0.030 1
719 68 68 SER HB3 H 3.878 0.030 1
720 68 68 SER C C 173.952 0.300 1
721 68 68 SER CA C 58.306 0.300 1
722 68 68 SER CB C 64.093 0.300 1
723 68 68 SER N N 117.867 0.300 1
724 69 69 GLY H H 8.073 0.030 1
725 69 69 GLY HA2 H 3.817 0.030 2
726 69 69 GLY HA3 H 3.756 0.030 2
727 69 69 GLY C C 179.058 0.300 1
728 69 69 GLY CA C 46.241 0.300 1
729 69 69 GLY N N 116.857 0.300 1
stop_
save_