data_11277
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of the RA Domain in the Human Link Guanine Nucleotide
Exchange Factor II (Link-GEFII)
;
_BMRB_accession_number 11277
_BMRB_flat_file_name bmr11277.str
_Entry_type original
_Submission_date 2010-08-09
_Accession_date 2010-08-09
_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 Zhao C. . .
2 Kigawa T. . .
3 Yoneyama M. . .
4 Koshiba S. . .
5 Harada T. . .
6 Watanabe S. . .
7 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" 614
"13C chemical shifts" 487
"15N chemical shifts" 108
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-18 original author .
stop_
_Original_release_date 2011-08-18
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution Structure of the RA Domain in the Human Link Guanine Nucleotide
Exchange Factor II (Link-GEFII)
;
_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 Zhao C. . .
2 Kigawa T. . .
3 Yoneyama M. . .
4 Koshiba S. . .
5 Harada T. . .
6 Watanabe S. . .
7 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 'Rap guanine nucleotide exchange factor (GEF)-like 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'RA 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 'RA domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 120
_Mol_residue_sequence
;
GSSGSSGDEIFCRVYMPDHS
YVTIRSRLSASVQDILGSVT
EKLQYSEEPAGREDSLILVA
VSSSGEKVLLQPTEDCVFTA
LGINSHLFACTRDSYEALVP
LPEEIQVSPGDTEISGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ASP 9 GLU 10 ILE
11 PHE 12 CYS 13 ARG 14 VAL 15 TYR
16 MET 17 PRO 18 ASP 19 HIS 20 SER
21 TYR 22 VAL 23 THR 24 ILE 25 ARG
26 SER 27 ARG 28 LEU 29 SER 30 ALA
31 SER 32 VAL 33 GLN 34 ASP 35 ILE
36 LEU 37 GLY 38 SER 39 VAL 40 THR
41 GLU 42 LYS 43 LEU 44 GLN 45 TYR
46 SER 47 GLU 48 GLU 49 PRO 50 ALA
51 GLY 52 ARG 53 GLU 54 ASP 55 SER
56 LEU 57 ILE 58 LEU 59 VAL 60 ALA
61 VAL 62 SER 63 SER 64 SER 65 GLY
66 GLU 67 LYS 68 VAL 69 LEU 70 LEU
71 GLN 72 PRO 73 THR 74 GLU 75 ASP
76 CYS 77 VAL 78 PHE 79 THR 80 ALA
81 LEU 82 GLY 83 ILE 84 ASN 85 SER
86 HIS 87 LEU 88 PHE 89 ALA 90 CYS
91 THR 92 ARG 93 ASP 94 SER 95 TYR
96 GLU 97 ALA 98 LEU 99 VAL 100 PRO
101 LEU 102 PRO 103 GLU 104 GLU 105 ILE
106 GLN 107 VAL 108 SER 109 PRO 110 GLY
111 ASP 112 THR 113 GLU 114 ILE 115 SER
116 GLY 117 PRO 118 SER 119 SER 120 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 2DHZ "Solution Structure Of The Ra Domain In The Human Link Guanine Nucleotide Exchange Factor Ii (Link-Gefii)" 100.00 120 100.00 100.00 1.09e-78
DBJ BAG36274 "unnamed protein product [Homo sapiens]" 89.17 456 100.00 100.00 1.74e-66
DBJ BAG57820 "unnamed protein product [Homo sapiens]" 90.00 392 99.07 99.07 3.08e-67
DBJ BAH14121 "unnamed protein product [Homo sapiens]" 89.17 505 100.00 100.00 7.15e-66
EMBL CAH91648 "hypothetical protein [Pongo abelii]" 89.17 456 100.00 100.00 1.76e-66
GB AAF22003 "Link guanine nucleotide exchange factor II [Homo sapiens]" 89.17 456 100.00 100.00 1.74e-66
GB AAI15375 "Rap guanine nucleotide exchange factor (GEF)-like 1 [Homo sapiens]" 89.17 456 100.00 100.00 1.74e-66
GB AAI15376 "Rap guanine nucleotide exchange factor (GEF)-like 1 [Homo sapiens]" 89.17 456 100.00 100.00 1.74e-66
GB ABG81429 "Rap guanine nucleotide exchange factor (GEF)-like 1 [Bos taurus]" 89.17 279 97.20 99.07 4.73e-66
GB EAW60645 "Rap guanine nucleotide exchange factor (GEF)-like 1, isoform CRA_a [Homo sapiens]" 89.17 604 100.00 100.00 5.08e-64
REF NP_001125968 "rap guanine nucleotide exchange factor-like 1 [Pongo abelii]" 89.17 456 100.00 100.00 1.76e-66
REF NP_001192336 "rap guanine nucleotide exchange factor-like 1 [Bos taurus]" 89.17 663 97.20 99.07 1.73e-62
REF NP_001290462 "rap guanine nucleotide exchange factor-like 1 isoform 1 [Homo sapiens]" 89.17 511 100.00 100.00 6.36e-66
REF NP_001290463 "rap guanine nucleotide exchange factor-like 1 isoform 2 [Homo sapiens]" 89.17 505 100.00 100.00 7.23e-66
REF NP_057423 "rap guanine nucleotide exchange factor-like 1 isoform 3 [Homo sapiens]" 89.17 456 100.00 100.00 1.74e-66
SP Q5R9B2 "RecName: Full=Rap guanine nucleotide exchange factor-like 1" 89.17 456 100.00 100.00 1.76e-66
SP Q9UHV5 "RecName: Full=Rap guanine nucleotide exchange factor-like 1; AltName: Full=Link guanine nucleotide exchange factor II; Short=Li" 89.17 662 100.00 100.00 5.25e-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_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P051212-12
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.21mM RA domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.21 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 0.9732
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.0.8
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296.0 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 'RA 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 3.990 0.030 1
2 7 7 GLY HA3 H 3.990 0.030 1
3 7 7 GLY C C 174.007 0.300 1
4 7 7 GLY CA C 45.774 0.300 1
5 8 8 ASP H H 8.194 0.030 1
6 8 8 ASP HA H 4.629 0.030 1
7 8 8 ASP HB2 H 2.624 0.030 2
8 8 8 ASP HB3 H 2.747 0.030 2
9 8 8 ASP C C 175.618 0.300 1
10 8 8 ASP CA C 53.756 0.300 1
11 8 8 ASP CB C 40.854 0.300 1
12 8 8 ASP N N 120.042 0.300 1
13 9 9 GLU H H 8.002 0.030 1
14 9 9 GLU HA H 4.550 0.030 1
15 9 9 GLU HB2 H 1.758 0.030 2
16 9 9 GLU HB3 H 1.844 0.030 2
17 9 9 GLU HG2 H 1.961 0.030 2
18 9 9 GLU HG3 H 2.132 0.030 2
19 9 9 GLU C C 175.581 0.300 1
20 9 9 GLU CA C 56.721 0.300 1
21 9 9 GLU CB C 31.248 0.300 1
22 9 9 GLU CG C 37.114 0.300 1
23 9 9 GLU N N 119.446 0.300 1
24 10 10 ILE H H 8.107 0.030 1
25 10 10 ILE HA H 4.424 0.030 1
26 10 10 ILE HB H 1.515 0.030 1
27 10 10 ILE HD1 H 0.181 0.030 1
28 10 10 ILE HG12 H 0.914 0.030 2
29 10 10 ILE HG13 H 0.505 0.030 2
30 10 10 ILE HG2 H 0.420 0.030 1
31 10 10 ILE C C 173.668 0.300 1
32 10 10 ILE CA C 59.175 0.300 1
33 10 10 ILE CB C 42.047 0.300 1
34 10 10 ILE CD1 C 13.192 0.300 1
35 10 10 ILE CG1 C 26.647 0.300 1
36 10 10 ILE CG2 C 17.467 0.300 1
37 10 10 ILE N N 119.296 0.300 1
38 11 11 PHE H H 8.373 0.030 1
39 11 11 PHE HA H 5.392 0.030 1
40 11 11 PHE HB2 H 2.803 0.030 2
41 11 11 PHE HB3 H 2.710 0.030 2
42 11 11 PHE HD1 H 7.102 0.030 1
43 11 11 PHE HD2 H 7.102 0.030 1
44 11 11 PHE HE1 H 7.272 0.030 1
45 11 11 PHE HE2 H 7.272 0.030 1
46 11 11 PHE HZ H 7.222 0.030 1
47 11 11 PHE C C 175.824 0.300 1
48 11 11 PHE CA C 56.572 0.300 1
49 11 11 PHE CB C 40.402 0.300 1
50 11 11 PHE CD1 C 131.634 0.300 1
51 11 11 PHE CD2 C 131.634 0.300 1
52 11 11 PHE CE1 C 131.314 0.300 1
53 11 11 PHE CE2 C 131.314 0.300 1
54 11 11 PHE CZ C 129.495 0.300 1
55 11 11 PHE N N 121.544 0.300 1
56 12 12 CYS H H 8.951 0.030 1
57 12 12 CYS HA H 4.805 0.030 1
58 12 12 CYS HB2 H 2.553 0.030 1
59 12 12 CYS HB3 H 2.553 0.030 1
60 12 12 CYS C C 172.312 0.300 1
61 12 12 CYS CA C 56.380 0.300 1
62 12 12 CYS CB C 30.824 0.300 1
63 12 12 CYS N N 120.220 0.300 1
64 13 13 ARG H H 8.665 0.030 1
65 13 13 ARG HA H 5.031 0.030 1
66 13 13 ARG HB2 H 1.509 0.030 2
67 13 13 ARG HB3 H 0.772 0.030 2
68 13 13 ARG HD2 H 1.391 0.030 2
69 13 13 ARG HD3 H 2.464 0.030 2
70 13 13 ARG HG2 H 1.454 0.030 2
71 13 13 ARG HG3 H 1.122 0.030 2
72 13 13 ARG C C 175.036 0.300 1
73 13 13 ARG CA C 55.746 0.300 1
74 13 13 ARG CB C 32.326 0.300 1
75 13 13 ARG CD C 43.526 0.300 1
76 13 13 ARG CG C 27.167 0.300 1
77 13 13 ARG N N 124.361 0.300 1
78 14 14 VAL H H 8.624 0.030 1
79 14 14 VAL HA H 4.304 0.030 1
80 14 14 VAL HB H 1.617 0.030 1
81 14 14 VAL HG1 H 0.737 0.030 1
82 14 14 VAL HG2 H 0.697 0.030 1
83 14 14 VAL C C 174.842 0.300 1
84 14 14 VAL CA C 61.778 0.300 1
85 14 14 VAL CB C 33.594 0.300 1
86 14 14 VAL CG1 C 22.481 0.300 2
87 14 14 VAL CG2 C 20.591 0.300 2
88 14 14 VAL N N 122.415 0.300 1
89 15 15 TYR H H 9.248 0.030 1
90 15 15 TYR HA H 4.654 0.030 1
91 15 15 TYR HB2 H 2.319 0.030 2
92 15 15 TYR HB3 H 1.310 0.030 2
93 15 15 TYR HD1 H 6.907 0.030 1
94 15 15 TYR HD2 H 6.907 0.030 1
95 15 15 TYR HE1 H 6.479 0.030 1
96 15 15 TYR HE2 H 6.479 0.030 1
97 15 15 TYR C C 174.770 0.300 1
98 15 15 TYR CA C 58.577 0.300 1
99 15 15 TYR CB C 39.375 0.300 1
100 15 15 TYR CD1 C 133.197 0.300 1
101 15 15 TYR CD2 C 133.197 0.300 1
102 15 15 TYR CE1 C 117.976 0.300 1
103 15 15 TYR CE2 C 117.976 0.300 1
104 15 15 TYR N N 126.472 0.300 1
105 16 16 MET H H 8.708 0.030 1
106 16 16 MET HA H 5.545 0.030 1
107 16 16 MET HB2 H 2.086 0.030 2
108 16 16 MET HB3 H 2.209 0.030 2
109 16 16 MET HE H 1.975 0.030 1
110 16 16 MET HG2 H 2.387 0.030 2
111 16 16 MET HG3 H 2.841 0.030 2
112 16 16 MET C C 177.785 0.300 1
113 16 16 MET CA C 52.141 0.300 1
114 16 16 MET CB C 32.511 0.300 1
115 16 16 MET CE C 19.298 0.300 1
116 16 16 MET CG C 33.956 0.300 1
117 16 16 MET N N 117.959 0.300 1
118 17 17 PRO HA H 4.388 0.030 1
119 17 17 PRO HB2 H 2.452 0.030 2
120 17 17 PRO HB3 H 2.010 0.030 2
121 17 17 PRO HD2 H 3.952 0.030 2
122 17 17 PRO HD3 H 4.416 0.030 2
123 17 17 PRO HG2 H 1.909 0.030 2
124 17 17 PRO HG3 H 2.441 0.030 2
125 17 17 PRO C C 176.453 0.300 1
126 17 17 PRO CA C 66.105 0.300 1
127 17 17 PRO CB C 31.952 0.300 1
128 17 17 PRO CD C 50.267 0.300 1
129 17 17 PRO CG C 28.729 0.300 1
130 18 18 ASP H H 7.620 0.030 1
131 18 18 ASP HA H 4.376 0.030 1
132 18 18 ASP HB2 H 3.085 0.030 2
133 18 18 ASP HB3 H 2.576 0.030 2
134 18 18 ASP C C 176.901 0.300 1
135 18 18 ASP CA C 53.601 0.300 1
136 18 18 ASP CB C 39.375 0.300 1
137 18 18 ASP N N 112.466 0.300 1
138 19 19 HIS H H 9.056 0.030 1
139 19 19 HIS HA H 4.409 0.030 1
140 19 19 HIS HB2 H 3.881 0.030 2
141 19 19 HIS HB3 H 3.422 0.030 2
142 19 19 HIS HD2 H 7.153 0.030 1
143 19 19 HIS HE1 H 7.750 0.030 1
144 19 19 HIS C C 175.690 0.300 1
145 19 19 HIS CA C 58.578 0.300 1
146 19 19 HIS CB C 27.546 0.300 1
147 19 19 HIS CD2 C 114.621 0.300 1
148 19 19 HIS CE1 C 138.237 0.300 1
149 19 19 HIS N N 112.705 0.300 1
150 20 20 SER H H 8.229 0.030 1
151 20 20 SER HA H 4.548 0.030 1
152 20 20 SER HB2 H 3.927 0.030 1
153 20 20 SER HB3 H 3.927 0.030 1
154 20 20 SER C C 172.166 0.300 1
155 20 20 SER CA C 59.826 0.300 1
156 20 20 SER CB C 63.913 0.300 1
157 20 20 SER N N 114.629 0.300 1
158 21 21 TYR H H 7.697 0.030 1
159 21 21 TYR HA H 5.393 0.030 1
160 21 21 TYR HB2 H 1.973 0.030 2
161 21 21 TYR HB3 H 2.051 0.030 2
162 21 21 TYR HD1 H 6.593 0.030 1
163 21 21 TYR HD2 H 6.593 0.030 1
164 21 21 TYR HE1 H 6.675 0.030 1
165 21 21 TYR HE2 H 6.675 0.030 1
166 21 21 TYR C C 175.387 0.300 1
167 21 21 TYR CA C 56.203 0.300 1
168 21 21 TYR CB C 40.252 0.300 1
169 21 21 TYR CD1 C 133.637 0.300 1
170 21 21 TYR CD2 C 133.637 0.300 1
171 21 21 TYR CE1 C 117.478 0.300 1
172 21 21 TYR CE2 C 117.478 0.300 1
173 21 21 TYR N N 111.293 0.300 1
174 22 22 VAL H H 8.683 0.030 1
175 22 22 VAL HA H 4.583 0.030 1
176 22 22 VAL HB H 1.980 0.030 1
177 22 22 VAL HG1 H 0.863 0.030 1
178 22 22 VAL HG2 H 0.796 0.030 1
179 22 22 VAL C C 174.406 0.300 1
180 22 22 VAL CA C 59.082 0.300 1
181 22 22 VAL CB C 34.525 0.300 1
182 22 22 VAL CG1 C 21.906 0.300 2
183 22 22 VAL CG2 C 19.319 0.300 2
184 22 22 VAL N N 112.879 0.300 1
185 23 23 THR H H 8.553 0.030 1
186 23 23 THR HA H 5.025 0.030 1
187 23 23 THR HB H 3.945 0.030 1
188 23 23 THR HG2 H 1.122 0.030 1
189 23 23 THR C C 174.709 0.300 1
190 23 23 THR CA C 62.094 0.300 1
191 23 23 THR CB C 69.068 0.300 1
192 23 23 THR CG2 C 21.824 0.300 1
193 23 23 THR N N 119.752 0.300 1
194 24 24 ILE H H 8.992 0.030 1
195 24 24 ILE HA H 4.726 0.030 1
196 24 24 ILE HB H 1.865 0.030 1
197 24 24 ILE HD1 H 0.814 0.030 1
198 24 24 ILE HG12 H 1.074 0.030 2
199 24 24 ILE HG13 H 1.373 0.030 2
200 24 24 ILE HG2 H 0.698 0.030 1
201 24 24 ILE C C 173.680 0.300 1
202 24 24 ILE CA C 58.559 0.300 1
203 24 24 ILE CB C 41.060 0.300 1
204 24 24 ILE CD1 C 15.194 0.300 1
205 24 24 ILE CG1 C 26.207 0.300 1
206 24 24 ILE CG2 C 18.180 0.300 1
207 24 24 ILE N N 119.933 0.300 1
208 25 25 ARG H H 8.393 0.030 1
209 25 25 ARG HA H 4.521 0.030 1
210 25 25 ARG HB2 H 1.681 0.030 2
211 25 25 ARG HB3 H 1.435 0.030 2
212 25 25 ARG HD2 H 2.957 0.030 1
213 25 25 ARG HD3 H 2.957 0.030 1
214 25 25 ARG HG2 H 1.114 0.030 2
215 25 25 ARG HG3 H 0.937 0.030 2
216 25 25 ARG C C 175.714 0.300 1
217 25 25 ARG CA C 54.726 0.300 1
218 25 25 ARG CB C 31.232 0.300 1
219 25 25 ARG CD C 43.432 0.300 1
220 25 25 ARG CG C 27.167 0.300 1
221 25 25 ARG N N 122.852 0.300 1
222 26 26 SER H H 8.808 0.030 1
223 26 26 SER HA H 4.652 0.030 1
224 26 26 SER HB2 H 3.302 0.030 2
225 26 26 SER HB3 H 3.461 0.030 2
226 26 26 SER C C 174.649 0.300 1
227 26 26 SER CA C 55.745 0.300 1
228 26 26 SER CB C 65.222 0.300 1
229 26 26 SER N N 120.599 0.300 1
230 27 27 ARG H H 8.921 0.030 1
231 27 27 ARG HA H 4.969 0.030 1
232 27 27 ARG HB2 H 1.977 0.030 2
233 27 27 ARG HB3 H 1.612 0.030 2
234 27 27 ARG HD2 H 3.142 0.030 1
235 27 27 ARG HD3 H 3.142 0.030 1
236 27 27 ARG HG2 H 1.601 0.030 1
237 27 27 ARG HG3 H 1.601 0.030 1
238 27 27 ARG C C 177.361 0.300 1
239 27 27 ARG CA C 55.095 0.300 1
240 27 27 ARG CB C 32.963 0.300 1
241 27 27 ARG CD C 43.374 0.300 1
242 27 27 ARG CG C 27.332 0.300 1
243 27 27 ARG N N 120.592 0.300 1
244 28 28 LEU H H 8.755 0.030 1
245 28 28 LEU HA H 4.133 0.030 1
246 28 28 LEU HB2 H 1.628 0.030 2
247 28 28 LEU HB3 H 1.790 0.030 2
248 28 28 LEU HD1 H 0.906 0.030 1
249 28 28 LEU HD2 H 0.775 0.030 1
250 28 28 LEU HG H 1.645 0.030 1
251 28 28 LEU C C 178.281 0.300 1
252 28 28 LEU CA C 58.191 0.300 1
253 28 28 LEU CB C 41.899 0.300 1
254 28 28 LEU CD1 C 25.115 0.300 2
255 28 28 LEU CD2 C 23.550 0.300 2
256 28 28 LEU CG C 27.167 0.300 1
257 28 28 LEU N N 122.123 0.300 1
258 29 29 SER H H 7.760 0.030 1
259 29 29 SER HA H 4.750 0.030 1
260 29 29 SER HB2 H 4.166 0.030 2
261 29 29 SER HB3 H 3.815 0.030 2
262 29 29 SER C C 174.152 0.300 1
263 29 29 SER CA C 57.346 0.300 1
264 29 29 SER CB C 63.544 0.300 1
265 29 29 SER N N 109.194 0.300 1
266 30 30 ALA H H 7.569 0.030 1
267 30 30 ALA HA H 4.340 0.030 1
268 30 30 ALA HB H 1.636 0.030 1
269 30 30 ALA C C 177.119 0.300 1
270 30 30 ALA CA C 53.231 0.300 1
271 30 30 ALA CB C 20.581 0.300 1
272 30 30 ALA N N 124.713 0.300 1
273 31 31 SER H H 8.881 0.030 1
274 31 31 SER HA H 4.979 0.030 1
275 31 31 SER HB2 H 4.364 0.030 2
276 31 31 SER HB3 H 4.055 0.030 2
277 31 31 SER C C 175.605 0.300 1
278 31 31 SER CA C 56.291 0.300 1
279 31 31 SER CB C 66.338 0.300 1
280 31 31 SER N N 116.121 0.300 1
281 32 32 VAL H H 8.513 0.030 1
282 32 32 VAL HA H 3.375 0.030 1
283 32 32 VAL HB H 2.167 0.030 1
284 32 32 VAL HG1 H 0.813 0.030 1
285 32 32 VAL HG2 H 0.961 0.030 1
286 32 32 VAL C C 177.531 0.300 1
287 32 32 VAL CA C 67.160 0.300 1
288 32 32 VAL CB C 31.976 0.300 1
289 32 32 VAL CG1 C 21.105 0.300 2
290 32 32 VAL CG2 C 25.523 0.300 2
291 32 32 VAL N N 121.435 0.300 1
292 33 33 GLN H H 8.239 0.030 1
293 33 33 GLN HA H 4.022 0.030 1
294 33 33 GLN HB2 H 1.993 0.030 2
295 33 33 GLN HB3 H 2.065 0.030 2
296 33 33 GLN HE21 H 6.880 0.030 2
297 33 33 GLN HE22 H 7.533 0.030 2
298 33 33 GLN HG2 H 2.404 0.030 1
299 33 33 GLN HG3 H 2.404 0.030 1
300 33 33 GLN C C 178.984 0.300 1
301 33 33 GLN CA C 59.117 0.300 1
302 33 33 GLN CB C 28.565 0.300 1
303 33 33 GLN CG C 33.786 0.300 1
304 33 33 GLN N N 117.306 0.300 1
305 33 33 GLN NE2 N 112.189 0.300 1
306 34 34 ASP H H 7.995 0.030 1
307 34 34 ASP HA H 4.364 0.030 1
308 34 34 ASP HB2 H 3.229 0.030 2
309 34 34 ASP HB3 H 2.807 0.030 2
310 34 34 ASP C C 179.190 0.300 1
311 34 34 ASP CA C 57.452 0.300 1
312 34 34 ASP CB C 40.690 0.300 1
313 34 34 ASP N N 122.168 0.300 1
314 35 35 ILE H H 8.251 0.030 1
315 35 35 ILE HA H 3.604 0.030 1
316 35 35 ILE HB H 1.885 0.030 1
317 35 35 ILE HD1 H 0.467 0.030 1
318 35 35 ILE HG12 H 1.708 0.030 2
319 35 35 ILE HG13 H 1.030 0.030 2
320 35 35 ILE HG2 H 0.749 0.030 1
321 35 35 ILE C C 178.572 0.300 1
322 35 35 ILE CA C 65.542 0.300 1
323 35 35 ILE CB C 37.772 0.300 1
324 35 35 ILE CD1 C 13.794 0.300 1
325 35 35 ILE CG1 C 28.976 0.300 1
326 35 35 ILE CG2 C 17.514 0.300 1
327 35 35 ILE N N 122.839 0.300 1
328 36 36 LEU H H 8.850 0.030 1
329 36 36 LEU HA H 3.917 0.030 1
330 36 36 LEU HB2 H 1.891 0.030 2
331 36 36 LEU HB3 H 1.467 0.030 2
332 36 36 LEU HD1 H 0.827 0.030 1
333 36 36 LEU HD2 H 0.721 0.030 1
334 36 36 LEU HG H 1.639 0.030 1
335 36 36 LEU C C 180.304 0.300 1
336 36 36 LEU CA C 58.190 0.300 1
337 36 36 LEU CB C 41.756 0.300 1
338 36 36 LEU CD1 C 25.770 0.300 2
339 36 36 LEU CD2 C 23.304 0.300 2
340 36 36 LEU CG C 27.249 0.300 1
341 36 36 LEU N N 119.373 0.300 1
342 37 37 GLY H H 8.445 0.030 1
343 37 37 GLY HA2 H 4.044 0.030 2
344 37 37 GLY HA3 H 3.893 0.030 2
345 37 37 GLY C C 176.550 0.300 1
346 37 37 GLY CA C 47.339 0.300 1
347 37 37 GLY N N 109.315 0.300 1
348 38 38 SER H H 8.026 0.030 1
349 38 38 SER HA H 4.412 0.030 1
350 38 38 SER HB2 H 4.159 0.030 2
351 38 38 SER HB3 H 3.978 0.030 2
352 38 38 SER C C 177.107 0.300 1
353 38 38 SER CA C 62.376 0.300 1
354 38 38 SER CB C 63.326 0.300 1
355 38 38 SER N N 119.611 0.300 1
356 39 39 VAL H H 8.576 0.030 1
357 39 39 VAL HA H 3.374 0.030 1
358 39 39 VAL HB H 2.228 0.030 1
359 39 39 VAL HG1 H 0.711 0.030 1
360 39 39 VAL HG2 H 0.952 0.030 1
361 39 39 VAL C C 177.313 0.300 1
362 39 39 VAL CA C 66.914 0.300 1
363 39 39 VAL CB C 31.812 0.300 1
364 39 39 VAL CG1 C 21.093 0.300 2
365 39 39 VAL CG2 C 23.822 0.300 2
366 39 39 VAL N N 123.157 0.300 1
367 40 40 THR H H 8.557 0.030 1
368 40 40 THR HA H 3.697 0.030 1
369 40 40 THR HB H 4.337 0.030 1
370 40 40 THR HG2 H 1.253 0.030 1
371 40 40 THR C C 176.768 0.300 1
372 40 40 THR CA C 67.283 0.300 1
373 40 40 THR CB C 68.657 0.300 1
374 40 40 THR CG2 C 21.824 0.300 1
375 40 40 THR N N 114.577 0.300 1
376 41 41 GLU H H 7.623 0.030 1
377 41 41 GLU HA H 4.116 0.030 1
378 41 41 GLU HB2 H 2.190 0.030 2
379 41 41 GLU HB3 H 2.169 0.030 2
380 41 41 GLU HG2 H 2.450 0.030 2
381 41 41 GLU HG3 H 2.279 0.030 2
382 41 41 GLU C C 178.632 0.300 1
383 41 41 GLU CA C 59.196 0.300 1
384 41 41 GLU CB C 29.757 0.300 1
385 41 41 GLU CG C 36.374 0.300 1
386 41 41 GLU N N 120.107 0.300 1
387 42 42 LYS H H 7.555 0.030 1
388 42 42 LYS HA H 4.279 0.030 1
389 42 42 LYS HB2 H 1.954 0.030 2
390 42 42 LYS HB3 H 2.005 0.030 2
391 42 42 LYS HD2 H 1.749 0.030 1
392 42 42 LYS HD3 H 1.749 0.030 1
393 42 42 LYS HE2 H 3.175 0.030 2
394 42 42 LYS HE3 H 3.204 0.030 2
395 42 42 LYS HG2 H 1.505 0.030 2
396 42 42 LYS HG3 H 1.670 0.030 2
397 42 42 LYS C C 178.439 0.300 1
398 42 42 LYS CA C 56.519 0.300 1
399 42 42 LYS CB C 32.223 0.300 1
400 42 42 LYS CD C 28.165 0.300 1
401 42 42 LYS CE C 42.230 0.300 1
402 42 42 LYS CG C 24.619 0.300 1
403 42 42 LYS N N 117.202 0.300 1
404 43 43 LEU H H 7.854 0.030 1
405 43 43 LEU HA H 4.207 0.030 1
406 43 43 LEU HB2 H 1.697 0.030 2
407 43 43 LEU HB3 H 1.443 0.030 2
408 43 43 LEU HD1 H 0.785 0.030 1
409 43 43 LEU HD2 H 0.757 0.030 1
410 43 43 LEU HG H 1.751 0.030 1
411 43 43 LEU C C 177.519 0.300 1
412 43 43 LEU CA C 55.728 0.300 1
413 43 43 LEU CB C 42.375 0.300 1
414 43 43 LEU CD1 C 22.481 0.300 2
415 43 43 LEU CD2 C 25.727 0.300 2
416 43 43 LEU CG C 26.452 0.300 1
417 43 43 LEU N N 119.317 0.300 1
418 44 44 GLN H H 7.869 0.030 1
419 44 44 GLN HA H 4.147 0.030 1
420 44 44 GLN HB2 H 2.047 0.030 1
421 44 44 GLN HB3 H 2.047 0.030 1
422 44 44 GLN HE21 H 7.472 0.030 2
423 44 44 GLN HE22 H 6.836 0.030 2
424 44 44 GLN HG2 H 2.230 0.030 2
425 44 44 GLN HG3 H 2.260 0.030 2
426 44 44 GLN C C 176.126 0.300 1
427 44 44 GLN CA C 56.784 0.300 1
428 44 44 GLN CB C 28.099 0.300 1
429 44 44 GLN CG C 33.908 0.300 1
430 44 44 GLN N N 117.765 0.300 1
431 44 44 GLN NE2 N 112.258 0.300 1
432 45 45 TYR H H 7.966 0.030 1
433 45 45 TYR HA H 4.586 0.030 1
434 45 45 TYR HB2 H 2.952 0.030 2
435 45 45 TYR HB3 H 3.145 0.030 2
436 45 45 TYR HD1 H 7.155 0.030 1
437 45 45 TYR HD2 H 7.155 0.030 1
438 45 45 TYR HE1 H 6.820 0.030 1
439 45 45 TYR HE2 H 6.820 0.030 1
440 45 45 TYR C C 176.162 0.300 1
441 45 45 TYR CA C 58.032 0.300 1
442 45 45 TYR CB C 38.444 0.300 1
443 45 45 TYR CD1 C 132.922 0.300 1
444 45 45 TYR CD2 C 132.922 0.300 1
445 45 45 TYR CE1 C 118.282 0.300 1
446 45 45 TYR CE2 C 118.282 0.300 1
447 45 45 TYR N N 119.839 0.300 1
448 46 46 SER H H 8.045 0.030 1
449 46 46 SER HA H 4.416 0.030 1
450 46 46 SER HB2 H 3.821 0.030 2
451 46 46 SER HB3 H 3.917 0.030 2
452 46 46 SER C C 174.068 0.300 1
453 46 46 SER CA C 58.366 0.300 1
454 46 46 SER CB C 64.078 0.300 1
455 46 46 SER N N 116.596 0.300 1
456 47 47 GLU H H 8.313 0.030 1
457 47 47 GLU HA H 4.231 0.030 1
458 47 47 GLU HB2 H 1.926 0.030 2
459 47 47 GLU HB3 H 2.107 0.030 2
460 47 47 GLU HG2 H 2.271 0.030 2
461 47 47 GLU HG3 H 2.186 0.030 2
462 47 47 GLU C C 176.211 0.300 1
463 47 47 GLU CA C 56.766 0.300 1
464 47 47 GLU CB C 29.962 0.300 1
465 47 47 GLU CG C 36.374 0.300 1
466 47 47 GLU N N 121.334 0.300 1
467 48 48 GLU H H 8.216 0.030 1
468 48 48 GLU HA H 4.550 0.030 1
469 48 48 GLU HB2 H 2.017 0.030 2
470 48 48 GLU HB3 H 1.846 0.030 2
471 48 48 GLU HG2 H 2.230 0.030 1
472 48 48 GLU HG3 H 2.230 0.030 1
473 48 48 GLU C C 174.758 0.300 1
474 48 48 GLU CA C 54.356 0.300 1
475 48 48 GLU CB C 29.880 0.300 1
476 48 48 GLU CG C 36.192 0.300 1
477 48 48 GLU N N 121.734 0.300 1
478 49 49 PRO HA H 4.305 0.030 1
479 49 49 PRO HB2 H 2.240 0.030 2
480 49 49 PRO HB3 H 1.914 0.030 2
481 49 49 PRO HD2 H 3.755 0.030 2
482 49 49 PRO HD3 H 3.677 0.030 2
483 49 49 PRO HG2 H 2.009 0.030 2
484 49 49 PRO HG3 H 1.957 0.030 2
485 49 49 PRO C C 177.155 0.300 1
486 49 49 PRO CA C 63.826 0.300 1
487 49 49 PRO CB C 31.853 0.300 1
488 49 49 PRO CD C 50.760 0.300 1
489 49 49 PRO CG C 27.578 0.300 1
490 50 50 ALA H H 8.436 0.030 1
491 50 50 ALA HA H 4.292 0.030 1
492 50 50 ALA HB H 1.371 0.030 1
493 50 50 ALA C C 178.269 0.300 1
494 50 50 ALA CA C 52.809 0.300 1
495 50 50 ALA CB C 19.275 0.300 1
496 50 50 ALA N N 123.384 0.300 1
497 51 51 GLY H H 8.365 0.030 1
498 51 51 GLY HA2 H 3.941 0.030 1
499 51 51 GLY HA3 H 3.941 0.030 1
500 51 51 GLY C C 174.394 0.300 1
501 51 51 GLY CA C 45.457 0.300 1
502 51 51 GLY N N 107.578 0.300 1
503 52 52 ARG H H 8.115 0.030 1
504 52 52 ARG HA H 4.316 0.030 1
505 52 52 ARG HB2 H 1.769 0.030 2
506 52 52 ARG HB3 H 1.890 0.030 2
507 52 52 ARG HD2 H 3.158 0.030 1
508 52 52 ARG HD3 H 3.158 0.030 1
509 52 52 ARG HG2 H 1.593 0.030 1
510 52 52 ARG HG3 H 1.593 0.030 1
511 52 52 ARG C C 176.877 0.300 1
512 52 52 ARG CA C 56.432 0.300 1
513 52 52 ARG CB C 30.743 0.300 1
514 52 52 ARG CD C 43.280 0.300 1
515 52 52 ARG CG C 27.085 0.300 1
516 52 52 ARG N N 120.106 0.300 1
517 53 53 GLU H H 8.718 0.030 1
518 53 53 GLU HA H 4.235 0.030 1
519 53 53 GLU HB2 H 1.943 0.030 2
520 53 53 GLU HB3 H 2.065 0.030 2
521 53 53 GLU HG2 H 2.254 0.030 1
522 53 53 GLU HG3 H 2.254 0.030 1
523 53 53 GLU C C 176.272 0.300 1
524 53 53 GLU CA C 57.328 0.300 1
525 53 53 GLU CB C 29.794 0.300 1
526 53 53 GLU CG C 36.292 0.300 1
527 53 53 GLU N N 121.406 0.300 1
528 54 54 ASP H H 8.246 0.030 1
529 54 54 ASP HA H 4.695 0.030 1
530 54 54 ASP HB2 H 2.660 0.030 1
531 54 54 ASP HB3 H 2.660 0.030 1
532 54 54 ASP C C 175.993 0.300 1
533 54 54 ASP CA C 54.096 0.300 1
534 54 54 ASP CB C 41.224 0.300 1
535 54 54 ASP N N 120.228 0.300 1
536 55 55 SER H H 8.136 0.030 1
537 55 55 SER HA H 4.424 0.030 1
538 55 55 SER HB2 H 3.869 0.030 1
539 55 55 SER HB3 H 3.869 0.030 1
540 55 55 SER C C 173.995 0.300 1
541 55 55 SER CA C 58.542 0.300 1
542 55 55 SER CB C 64.119 0.300 1
543 55 55 SER N N 115.425 0.300 1
544 56 56 LEU H H 7.995 0.030 1
545 56 56 LEU HA H 4.581 0.030 1
546 56 56 LEU HB2 H 1.298 0.030 2
547 56 56 LEU HB3 H 1.612 0.030 2
548 56 56 LEU HD1 H 0.698 0.030 1
549 56 56 LEU HD2 H 0.619 0.030 1
550 56 56 LEU HG H 1.608 0.030 1
551 56 56 LEU C C 176.623 0.300 1
552 56 56 LEU CA C 54.813 0.300 1
553 56 56 LEU CB C 44.037 0.300 1
554 56 56 LEU CD1 C 25.441 0.300 2
555 56 56 LEU CD2 C 23.007 0.300 2
556 56 56 LEU CG C 26.756 0.300 1
557 56 56 LEU N N 122.430 0.300 1
558 57 57 ILE H H 9.031 0.030 1
559 57 57 ILE HA H 4.440 0.030 1
560 57 57 ILE HB H 1.831 0.030 1
561 57 57 ILE HD1 H 0.569 0.030 1
562 57 57 ILE HG12 H 1.406 0.030 2
563 57 57 ILE HG13 H 0.862 0.030 2
564 57 57 ILE HG2 H 0.819 0.030 1
565 57 57 ILE C C 172.953 0.300 1
566 57 57 ILE CA C 59.756 0.300 1
567 57 57 ILE CB C 41.101 0.300 1
568 57 57 ILE CD1 C 14.766 0.300 1
569 57 57 ILE CG1 C 26.473 0.300 1
570 57 57 ILE CG2 C 18.642 0.300 1
571 57 57 ILE N N 116.922 0.300 1
572 58 58 LEU H H 8.739 0.030 1
573 58 58 LEU HA H 5.449 0.030 1
574 58 58 LEU HB2 H 1.890 0.030 2
575 58 58 LEU HB3 H 1.202 0.030 2
576 58 58 LEU HD1 H 0.922 0.030 1
577 58 58 LEU HD2 H 0.883 0.030 1
578 58 58 LEU HG H 1.623 0.030 1
579 58 58 LEU C C 175.012 0.300 1
580 58 58 LEU CA C 52.792 0.300 1
581 58 58 LEU CB C 45.497 0.300 1
582 58 58 LEU CD1 C 24.372 0.300 2
583 58 58 LEU CD2 C 27.155 0.300 2
584 58 58 LEU CG C 27.332 0.300 1
585 58 58 LEU N N 122.615 0.300 1
586 59 59 VAL H H 9.346 0.030 1
587 59 59 VAL HA H 4.859 0.030 1
588 59 59 VAL HB H 1.805 0.030 1
589 59 59 VAL HG1 H 0.729 0.030 1
590 59 59 VAL HG2 H 0.883 0.030 1
591 59 59 VAL C C 174.903 0.300 1
592 59 59 VAL CA C 59.685 0.300 1
593 59 59 VAL CB C 36.456 0.300 1
594 59 59 VAL CG1 C 22.564 0.300 2
595 59 59 VAL CG2 C 22.564 0.300 2
596 59 59 VAL N N 124.391 0.300 1
597 60 60 ALA H H 9.043 0.030 1
598 60 60 ALA HA H 5.209 0.030 1
599 60 60 ALA HB H 1.274 0.030 1
600 60 60 ALA C C 177.156 0.300 1
601 60 60 ALA CA C 50.628 0.300 1
602 60 60 ALA CB C 20.097 0.300 1
603 60 60 ALA N N 128.912 0.300 1
604 61 61 VAL H H 9.263 0.030 1
605 61 61 VAL HA H 4.883 0.030 1
606 61 61 VAL HB H 2.010 0.030 1
607 61 61 VAL HG1 H 0.538 0.030 1
608 61 61 VAL HG2 H 0.397 0.030 1
609 61 61 VAL C C 176.902 0.300 1
610 61 61 VAL CA C 61.180 0.300 1
611 61 61 VAL CB C 33.415 0.300 1
612 61 61 VAL CG1 C 20.357 0.300 2
613 61 61 VAL CG2 C 22.773 0.300 2
614 61 61 VAL N N 125.734 0.300 1
615 62 62 SER H H 9.122 0.030 1
616 62 62 SER HA H 5.342 0.030 1
617 62 62 SER HB2 H 4.018 0.030 2
618 62 62 SER HB3 H 4.172 0.030 2
619 62 62 SER C C 176.586 0.300 1
620 62 62 SER CA C 57.135 0.300 1
621 62 62 SER CB C 65.479 0.300 1
622 62 62 SER N N 125.760 0.300 1
623 63 63 SER H H 8.673 0.030 1
624 63 63 SER HA H 4.328 0.030 1
625 63 63 SER HB2 H 4.076 0.030 1
626 63 63 SER HB3 H 4.076 0.030 1
627 63 63 SER C C 175.387 0.300 1
628 63 63 SER CA C 61.304 0.300 1
629 63 63 SER CB C 62.959 0.300 1
630 63 63 SER N N 118.157 0.300 1
631 64 64 SER H H 7.889 0.030 1
632 64 64 SER HA H 4.473 0.030 1
633 64 64 SER HB2 H 4.108 0.030 2
634 64 64 SER HB3 H 3.837 0.030 2
635 64 64 SER C C 175.303 0.300 1
636 64 64 SER CA C 58.173 0.300 1
637 64 64 SER CB C 63.682 0.300 1
638 64 64 SER N N 114.034 0.300 1
639 65 65 GLY H H 8.242 0.030 1
640 65 65 GLY HA2 H 4.376 0.030 2
641 65 65 GLY HA3 H 3.278 0.030 2
642 65 65 GLY C C 173.922 0.300 1
643 65 65 GLY CA C 45.089 0.300 1
644 65 65 GLY N N 110.495 0.300 1
645 66 66 GLU H H 7.786 0.030 1
646 66 66 GLU HA H 4.140 0.030 1
647 66 66 GLU HB2 H 1.922 0.030 2
648 66 66 GLU HB3 H 1.869 0.030 2
649 66 66 GLU HG2 H 2.174 0.030 1
650 66 66 GLU HG3 H 2.174 0.030 1
651 66 66 GLU C C 175.472 0.300 1
652 66 66 GLU CA C 57.328 0.300 1
653 66 66 GLU CB C 29.921 0.300 1
654 66 66 GLU CG C 36.539 0.300 1
655 66 66 GLU N N 121.208 0.300 1
656 67 67 LYS H H 8.470 0.030 1
657 67 67 LYS HA H 5.105 0.030 1
658 67 67 LYS HB2 H 1.644 0.030 2
659 67 67 LYS HB3 H 1.350 0.030 2
660 67 67 LYS HD2 H 1.254 0.030 2
661 67 67 LYS HD3 H 1.125 0.030 2
662 67 67 LYS HE2 H 2.587 0.030 1
663 67 67 LYS HE3 H 2.587 0.030 1
664 67 67 LYS HG2 H 1.401 0.030 2
665 67 67 LYS HG3 H 1.105 0.030 2
666 67 67 LYS C C 175.569 0.300 1
667 67 67 LYS CA C 55.218 0.300 1
668 67 67 LYS CB C 34.808 0.300 1
669 67 67 LYS CD C 29.573 0.300 1
670 67 67 LYS CE C 41.706 0.300 1
671 67 67 LYS CG C 24.933 0.300 1
672 67 67 LYS N N 123.432 0.300 1
673 68 68 VAL H H 8.852 0.030 1
674 68 68 VAL HA H 4.243 0.030 1
675 68 68 VAL HB H 2.022 0.030 1
676 68 68 VAL HG1 H 0.896 0.030 1
677 68 68 VAL HG2 H 0.899 0.030 1
678 68 68 VAL C C 174.225 0.300 1
679 68 68 VAL CA C 61.567 0.300 1
680 68 68 VAL CB C 34.772 0.300 1
681 68 68 VAL CG1 C 20.920 0.300 2
682 68 68 VAL CG2 C 21.116 0.300 2
683 68 68 VAL N N 123.879 0.300 1
684 69 69 LEU H H 8.634 0.030 1
685 69 69 LEU HA H 4.304 0.030 1
686 69 69 LEU HB2 H 1.627 0.030 2
687 69 69 LEU HB3 H 1.395 0.030 2
688 69 69 LEU HD1 H 0.892 0.030 1
689 69 69 LEU HD2 H 0.621 0.030 1
690 69 69 LEU HG H 1.337 0.030 1
691 69 69 LEU C C 176.090 0.300 1
692 69 69 LEU CA C 55.939 0.300 1
693 69 69 LEU CB C 41.964 0.300 1
694 69 69 LEU CD1 C 20.836 0.300 2
695 69 69 LEU CD2 C 25.276 0.300 2
696 69 69 LEU CG C 27.857 0.300 1
697 69 69 LEU N N 130.123 0.300 1
698 70 70 LEU H H 8.441 0.030 1
699 70 70 LEU HA H 4.494 0.030 1
700 70 70 LEU HB2 H 1.733 0.030 2
701 70 70 LEU HB3 H 1.226 0.030 2
702 70 70 LEU HD1 H 0.686 0.030 1
703 70 70 LEU HD2 H 0.752 0.030 1
704 70 70 LEU HG H 1.708 0.030 1
705 70 70 LEU C C 175.750 0.300 1
706 70 70 LEU CA C 54.357 0.300 1
707 70 70 LEU CB C 42.046 0.300 1
708 70 70 LEU CD1 C 26.456 0.300 2
709 70 70 LEU CD2 C 23.304 0.300 2
710 70 70 LEU CG C 26.889 0.300 1
711 70 70 LEU N N 129.969 0.300 1
712 71 71 GLN H H 8.978 0.030 1
713 71 71 GLN HA H 4.545 0.030 1
714 71 71 GLN HB2 H 2.247 0.030 2
715 71 71 GLN HB3 H 1.887 0.030 2
716 71 71 GLN HE21 H 6.819 0.030 2
717 71 71 GLN HE22 H 7.545 0.030 2
718 71 71 GLN HG2 H 2.445 0.030 2
719 71 71 GLN HG3 H 2.516 0.030 2
720 71 71 GLN C C 175.848 0.300 1
721 71 71 GLN CA C 53.800 0.300 1
722 71 71 GLN CB C 28.366 0.300 1
723 71 71 GLN CG C 33.545 0.300 1
724 71 71 GLN N N 122.772 0.300 1
725 71 71 GLN NE2 N 112.730 0.300 1
726 72 72 PRO HA H 4.187 0.030 1
727 72 72 PRO HB2 H 2.372 0.030 2
728 72 72 PRO HB3 H 2.059 0.030 2
729 72 72 PRO HD2 H 3.852 0.030 1
730 72 72 PRO HD3 H 3.852 0.030 1
731 72 72 PRO HG2 H 2.161 0.030 2
732 72 72 PRO HG3 H 2.065 0.030 2
733 72 72 PRO C C 176.526 0.300 1
734 72 72 PRO CA C 65.084 0.300 1
735 72 72 PRO CB C 32.180 0.300 1
736 72 72 PRO CD C 50.431 0.300 1
737 72 72 PRO CG C 27.825 0.300 1
738 73 73 THR H H 7.286 0.030 1
739 73 73 THR HA H 4.368 0.030 1
740 73 73 THR HB H 4.493 0.030 1
741 73 73 THR HG2 H 1.207 0.030 1
742 73 73 THR C C 175.460 0.300 1
743 73 73 THR CA C 60.846 0.300 1
744 73 73 THR CB C 69.421 0.300 1
745 73 73 THR CG2 C 21.805 0.300 1
746 73 73 THR N N 104.500 0.300 1
747 74 74 GLU H H 7.978 0.030 1
748 74 74 GLU HA H 4.231 0.030 1
749 74 74 GLU HB2 H 2.094 0.030 1
750 74 74 GLU HB3 H 2.094 0.030 1
751 74 74 GLU HG2 H 2.248 0.030 2
752 74 74 GLU HG3 H 2.293 0.030 2
753 74 74 GLU C C 175.351 0.300 1
754 74 74 GLU CA C 57.522 0.300 1
755 74 74 GLU CB C 30.045 0.300 1
756 74 74 GLU CG C 37.305 0.300 1
757 74 74 GLU N N 123.169 0.300 1
758 75 75 ASP H H 8.170 0.030 1
759 75 75 ASP HA H 4.776 0.030 1
760 75 75 ASP HB2 H 2.722 0.030 2
761 75 75 ASP HB3 H 2.481 0.030 2
762 75 75 ASP C C 175.145 0.300 1
763 75 75 ASP CA C 53.425 0.300 1
764 75 75 ASP CB C 42.179 0.300 1
765 75 75 ASP N N 120.774 0.300 1
766 76 76 CYS H H 7.961 0.030 1
767 76 76 CYS HA H 4.497 0.030 1
768 76 76 CYS HB2 H 2.980 0.030 2
769 76 76 CYS HB3 H 2.882 0.030 2
770 76 76 CYS C C 175.969 0.300 1
771 76 76 CYS CA C 59.052 0.300 1
772 76 76 CYS CB C 26.486 0.300 1
773 76 76 CYS N N 116.101 0.300 1
774 77 77 VAL H H 8.671 0.030 1
775 77 77 VAL HA H 3.609 0.030 1
776 77 77 VAL HB H 1.514 0.030 1
777 77 77 VAL HG1 H 0.384 0.030 1
778 77 77 VAL HG2 H 0.513 0.030 1
779 77 77 VAL C C 177.567 0.300 1
780 77 77 VAL CA C 64.469 0.300 1
781 77 77 VAL CB C 31.894 0.300 1
782 77 77 VAL CG1 C 21.248 0.300 2
783 77 77 VAL CG2 C 21.576 0.300 2
784 77 77 VAL N N 120.396 0.300 1
785 78 78 PHE H H 7.680 0.030 1
786 78 78 PHE HA H 4.214 0.030 1
787 78 78 PHE HB2 H 2.940 0.030 2
788 78 78 PHE HB3 H 3.273 0.030 2
789 78 78 PHE HD1 H 7.372 0.030 1
790 78 78 PHE HD2 H 7.372 0.030 1
791 78 78 PHE HE1 H 7.051 0.030 1
792 78 78 PHE HE2 H 7.051 0.030 1
793 78 78 PHE HZ H 7.388 0.030 1
794 78 78 PHE C C 178.415 0.300 1
795 78 78 PHE CA C 61.254 0.300 1
796 78 78 PHE CB C 38.268 0.300 1
797 78 78 PHE CD1 C 131.416 0.300 1
798 78 78 PHE CD2 C 131.416 0.300 1
799 78 78 PHE CE1 C 129.595 0.300 1
800 78 78 PHE CE2 C 129.595 0.300 1
801 78 78 PHE CZ C 131.988 0.300 1
802 78 78 PHE N N 116.456 0.300 1
803 79 79 THR H H 7.697 0.030 1
804 79 79 THR HA H 4.149 0.030 1
805 79 79 THR HB H 4.263 0.030 1
806 79 79 THR HG2 H 1.269 0.030 1
807 79 79 THR C C 175.146 0.300 1
808 79 79 THR CA C 63.994 0.300 1
809 79 79 THR CB C 68.745 0.300 1
810 79 79 THR CG2 C 22.317 0.300 1
811 79 79 THR N N 111.293 0.300 1
812 80 80 ALA H H 7.430 0.030 1
813 80 80 ALA HA H 4.335 0.030 1
814 80 80 ALA HB H 1.394 0.030 1
815 80 80 ALA C C 177.737 0.300 1
816 80 80 ALA CA C 52.633 0.300 1
817 80 80 ALA CB C 19.141 0.300 1
818 80 80 ALA N N 122.808 0.300 1
819 81 81 LEU H H 7.203 0.030 1
820 81 81 LEU HA H 4.098 0.030 1
821 81 81 LEU HB2 H 1.648 0.030 1
822 81 81 LEU HB3 H 1.648 0.030 1
823 81 81 LEU HD1 H 0.767 0.030 1
824 81 81 LEU HD2 H 0.856 0.030 1
825 81 81 LEU HG H 1.764 0.030 1
826 81 81 LEU C C 177.459 0.300 1
827 81 81 LEU CA C 55.605 0.300 1
828 81 81 LEU CB C 42.625 0.300 1
829 81 81 LEU CD1 C 24.043 0.300 2
830 81 81 LEU CD2 C 25.485 0.300 2
831 81 81 LEU CG C 26.345 0.300 1
832 81 81 LEU N N 119.327 0.300 1
833 82 82 GLY H H 8.103 0.030 1
834 82 82 GLY HA2 H 4.033 0.030 2
835 82 82 GLY HA3 H 3.869 0.030 2
836 82 82 GLY C C 174.649 0.300 1
837 82 82 GLY CA C 44.912 0.300 1
838 82 82 GLY N N 109.372 0.300 1
839 83 83 ILE H H 8.282 0.030 1
840 83 83 ILE HA H 4.110 0.030 1
841 83 83 ILE HB H 1.884 0.030 1
842 83 83 ILE HD1 H 0.880 0.030 1
843 83 83 ILE HG12 H 1.230 0.030 2
844 83 83 ILE HG13 H 1.461 0.030 2
845 83 83 ILE HG2 H 0.938 0.030 1
846 83 83 ILE C C 176.635 0.300 1
847 83 83 ILE CA C 62.587 0.300 1
848 83 83 ILE CB C 38.429 0.300 1
849 83 83 ILE CD1 C 13.603 0.300 1
850 83 83 ILE CG1 C 27.373 0.300 1
851 83 83 ILE CG2 C 17.440 0.300 1
852 83 83 ILE N N 118.373 0.300 1
853 84 84 ASN H H 8.514 0.030 1
854 84 84 ASN HA H 4.810 0.030 1
855 84 84 ASN HB2 H 3.094 0.030 2
856 84 84 ASN HB3 H 2.903 0.030 2
857 84 84 ASN HD21 H 7.076 0.030 2
858 84 84 ASN HD22 H 7.733 0.030 2
859 84 84 ASN C C 174.104 0.300 1
860 84 84 ASN CA C 53.283 0.300 1
861 84 84 ASN CB C 38.676 0.300 1
862 84 84 ASN N N 118.668 0.300 1
863 84 84 ASN ND2 N 113.764 0.300 1
864 85 85 SER H H 7.260 0.030 1
865 85 85 SER HA H 5.173 0.030 1
866 85 85 SER HB2 H 3.514 0.030 2
867 85 85 SER HB3 H 3.631 0.030 2
868 85 85 SER C C 171.718 0.300 1
869 85 85 SER CA C 57.768 0.300 1
870 85 85 SER CB C 65.516 0.300 1
871 85 85 SER N N 112.900 0.300 1
872 86 86 HIS H H 8.259 0.030 1
873 86 86 HIS HA H 4.857 0.030 1
874 86 86 HIS HB2 H 3.190 0.030 2
875 86 86 HIS HB3 H 2.700 0.030 2
876 86 86 HIS HD2 H 7.156 0.030 1
877 86 86 HIS HE1 H 7.969 0.030 1
878 86 86 HIS C C 173.741 0.300 1
879 86 86 HIS CA C 55.534 0.300 1
880 86 86 HIS CB C 34.121 0.300 1
881 86 86 HIS CD2 C 120.177 0.300 1
882 86 86 HIS CE1 C 137.467 0.300 1
883 86 86 HIS N N 118.373 0.300 1
884 87 87 LEU H H 9.567 0.030 1
885 87 87 LEU HA H 5.052 0.030 1
886 87 87 LEU HB2 H 2.083 0.030 2
887 87 87 LEU HB3 H 1.370 0.030 2
888 87 87 LEU HD1 H 0.830 0.030 1
889 87 87 LEU HD2 H 0.698 0.030 1
890 87 87 LEU HG H 1.808 0.030 1
891 87 87 LEU C C 175.484 0.300 1
892 87 87 LEU CA C 54.409 0.300 1
893 87 87 LEU CB C 44.229 0.300 1
894 87 87 LEU CD1 C 25.678 0.300 2
895 87 87 LEU CD2 C 23.879 0.300 2
896 87 87 LEU CG C 26.181 0.300 1
897 87 87 LEU N N 122.916 0.300 1
898 88 88 PHE H H 9.728 0.030 1
899 88 88 PHE HA H 5.849 0.030 1
900 88 88 PHE HB2 H 2.964 0.030 2
901 88 88 PHE HB3 H 2.481 0.030 2
902 88 88 PHE HD1 H 7.012 0.030 1
903 88 88 PHE HD2 H 7.012 0.030 1
904 88 88 PHE HE1 H 7.191 0.030 1
905 88 88 PHE HE2 H 7.191 0.030 1
906 88 88 PHE HZ H 6.899 0.030 1
907 88 88 PHE C C 174.940 0.300 1
908 88 88 PHE CA C 55.517 0.300 1
909 88 88 PHE CB C 43.868 0.300 1
910 88 88 PHE CD1 C 132.382 0.300 1
911 88 88 PHE CD2 C 132.382 0.300 1
912 88 88 PHE CE1 C 130.499 0.300 1
913 88 88 PHE CE2 C 130.499 0.300 1
914 88 88 PHE CZ C 128.994 0.300 1
915 88 88 PHE N N 122.274 0.300 1
916 89 89 ALA H H 8.824 0.030 1
917 89 89 ALA HA H 5.772 0.030 1
918 89 89 ALA HB H 1.176 0.030 1
919 89 89 ALA C C 175.908 0.300 1
920 89 89 ALA CA C 49.766 0.300 1
921 89 89 ALA CB C 21.320 0.300 1
922 89 89 ALA N N 121.407 0.300 1
923 90 90 CYS H H 8.678 0.030 1
924 90 90 CYS HA H 5.034 0.030 1
925 90 90 CYS HB2 H 3.323 0.030 2
926 90 90 CYS HB3 H 2.863 0.030 2
927 90 90 CYS C C 172.324 0.300 1
928 90 90 CYS CA C 55.500 0.300 1
929 90 90 CYS CB C 30.937 0.300 1
930 90 90 CYS N N 115.221 0.300 1
931 91 91 THR H H 8.218 0.030 1
932 91 91 THR HA H 4.895 0.030 1
933 91 91 THR HB H 4.643 0.030 1
934 91 91 THR HG2 H 1.230 0.030 1
935 91 91 THR C C 177.349 0.300 1
936 91 91 THR CA C 60.582 0.300 1
937 91 91 THR CB C 71.024 0.300 1
938 91 91 THR CG2 C 22.317 0.300 1
939 91 91 THR N N 108.953 0.300 1
940 92 92 ARG H H 9.376 0.030 1
941 92 92 ARG HA H 3.905 0.030 1
942 92 92 ARG HB2 H 1.902 0.030 2
943 92 92 ARG HB3 H 1.859 0.030 2
944 92 92 ARG HD2 H 3.191 0.030 1
945 92 92 ARG HD3 H 3.191 0.030 1
946 92 92 ARG HG2 H 1.724 0.030 2
947 92 92 ARG HG3 H 1.662 0.030 2
948 92 92 ARG C C 178.342 0.300 1
949 92 92 ARG CA C 60.031 0.300 1
950 92 92 ARG CB C 29.592 0.300 1
951 92 92 ARG CD C 42.951 0.300 1
952 92 92 ARG CG C 28.318 0.300 1
953 92 92 ARG N N 122.291 0.300 1
954 93 93 ASP H H 8.418 0.030 1
955 93 93 ASP HA H 4.554 0.030 1
956 93 93 ASP HB2 H 2.649 0.030 2
957 93 93 ASP HB3 H 2.726 0.030 2
958 93 93 ASP C C 177.144 0.300 1
959 93 93 ASP CA C 55.904 0.300 1
960 93 93 ASP CB C 40.567 0.300 1
961 93 93 ASP N N 115.897 0.300 1
962 94 94 SER H H 7.827 0.030 1
963 94 94 SER HA H 4.625 0.030 1
964 94 94 SER HB2 H 3.907 0.030 2
965 94 94 SER HB3 H 4.025 0.030 2
966 94 94 SER C C 174.878 0.300 1
967 94 94 SER CA C 58.894 0.300 1
968 94 94 SER CB C 64.529 0.300 1
969 94 94 SER N N 114.129 0.300 1
970 95 95 TYR H H 7.463 0.030 1
971 95 95 TYR HA H 4.020 0.030 1
972 95 95 TYR HB2 H 2.963 0.030 2
973 95 95 TYR HB3 H 3.010 0.030 2
974 95 95 TYR HD1 H 6.903 0.030 1
975 95 95 TYR HD2 H 6.903 0.030 1
976 95 95 TYR HE1 H 6.636 0.030 1
977 95 95 TYR HE2 H 6.636 0.030 1
978 95 95 TYR C C 177.034 0.300 1
979 95 95 TYR CA C 61.349 0.300 1
980 95 95 TYR CB C 39.251 0.300 1
981 95 95 TYR CD1 C 132.897 0.300 1
982 95 95 TYR CD2 C 132.897 0.300 1
983 95 95 TYR CE1 C 118.307 0.300 1
984 95 95 TYR CE2 C 118.307 0.300 1
985 95 95 TYR N N 122.001 0.300 1
986 96 96 GLU H H 8.516 0.030 1
987 96 96 GLU HA H 3.690 0.030 1
988 96 96 GLU HB2 H 2.034 0.030 2
989 96 96 GLU HB3 H 1.919 0.030 2
990 96 96 GLU HG2 H 2.279 0.030 1
991 96 96 GLU HG3 H 2.279 0.030 1
992 96 96 GLU C C 176.671 0.300 1
993 96 96 GLU CA C 58.753 0.300 1
994 96 96 GLU CB C 29.068 0.300 1
995 96 96 GLU CG C 36.539 0.300 1
996 96 96 GLU N N 117.263 0.300 1
997 97 97 ALA H H 7.491 0.030 1
998 97 97 ALA HA H 4.289 0.030 1
999 97 97 ALA HB H 1.374 0.030 1
1000 97 97 ALA C C 177.724 0.300 1
1001 97 97 ALA CA C 51.560 0.300 1
1002 97 97 ALA CB C 19.250 0.300 1
1003 97 97 ALA N N 119.336 0.300 1
1004 98 98 LEU H H 6.819 0.030 1
1005 98 98 LEU HA H 4.098 0.030 1
1006 98 98 LEU HB2 H 1.286 0.030 2
1007 98 98 LEU HB3 H 0.646 0.030 2
1008 98 98 LEU HD1 H 0.590 0.030 1
1009 98 98 LEU HD2 H 0.587 0.030 1
1010 98 98 LEU HG H 1.747 0.030 1
1011 98 98 LEU C C 176.380 0.300 1
1012 98 98 LEU CA C 55.851 0.300 1
1013 98 98 LEU CB C 42.786 0.300 1
1014 98 98 LEU CD1 C 25.770 0.300 2
1015 98 98 LEU CD2 C 22.975 0.300 2
1016 98 98 LEU CG C 25.920 0.300 1
1017 98 98 LEU N N 118.280 0.300 1
1018 99 99 VAL H H 8.642 0.030 1
1019 99 99 VAL HA H 4.494 0.030 1
1020 99 99 VAL HB H 2.101 0.030 1
1021 99 99 VAL HG1 H 1.044 0.030 1
1022 99 99 VAL HG2 H 0.970 0.030 1
1023 99 99 VAL C C 173.668 0.300 1
1024 99 99 VAL CA C 58.437 0.300 1
1025 99 99 VAL CB C 33.910 0.300 1
1026 99 99 VAL CG1 C 20.915 0.300 2
1027 99 99 VAL CG2 C 20.253 0.300 2
1028 99 99 VAL N N 123.307 0.300 1
1029 100 100 PRO HA H 4.110 0.030 1
1030 100 100 PRO HB2 H 2.288 0.030 2
1031 100 100 PRO HB3 H 1.778 0.030 2
1032 100 100 PRO HD2 H 3.645 0.030 1
1033 100 100 PRO HD3 H 3.645 0.030 1
1034 100 100 PRO HG2 H 1.879 0.030 2
1035 100 100 PRO HG3 H 1.651 0.030 2
1036 100 100 PRO C C 176.090 0.300 1
1037 100 100 PRO CA C 62.095 0.300 1
1038 100 100 PRO CB C 32.925 0.300 1
1039 100 100 PRO CD C 50.925 0.300 1
1040 100 100 PRO CG C 27.743 0.300 1
1041 101 101 LEU H H 7.555 0.030 1
1042 101 101 LEU HA H 3.856 0.030 1
1043 101 101 LEU HB2 H 0.932 0.030 2
1044 101 101 LEU HB3 H 1.135 0.030 2
1045 101 101 LEU HD1 H -0.164 0.030 1
1046 101 101 LEU HD2 H -0.330 0.030 1
1047 101 101 LEU HG H 0.963 0.030 1
1048 101 101 LEU C C 175.896 0.300 1
1049 101 101 LEU CA C 53.266 0.300 1
1050 101 101 LEU CB C 41.261 0.300 1
1051 101 101 LEU CD1 C 22.216 0.300 2
1052 101 101 LEU CD2 C 23.299 0.300 2
1053 101 101 LEU CG C 26.569 0.300 1
1054 101 101 LEU N N 120.552 0.300 1
1055 102 102 PRO HA H 4.401 0.030 1
1056 102 102 PRO HB2 H 2.276 0.030 2
1057 102 102 PRO HB3 H 1.875 0.030 2
1058 102 102 PRO HD2 H 3.387 0.030 2
1059 102 102 PRO HD3 H 3.643 0.030 2
1060 102 102 PRO HG2 H 2.002 0.030 1
1061 102 102 PRO HG3 H 2.002 0.030 1
1062 102 102 PRO C C 176.623 0.300 1
1063 102 102 PRO CA C 62.763 0.300 1
1064 102 102 PRO CB C 31.973 0.300 1
1065 102 102 PRO CD C 50.596 0.300 1
1066 102 102 PRO CG C 27.414 0.300 1
1067 103 103 GLU H H 8.445 0.030 1
1068 103 103 GLU HA H 4.135 0.030 1
1069 103 103 GLU HB2 H 1.865 0.030 2
1070 103 103 GLU HB3 H 1.974 0.030 2
1071 103 103 GLU HG2 H 2.194 0.030 2
1072 103 103 GLU HG3 H 2.248 0.030 2
1073 103 103 GLU C C 176.611 0.300 1
1074 103 103 GLU CA C 56.889 0.300 1
1075 103 103 GLU CB C 30.496 0.300 1
1076 103 103 GLU CG C 36.292 0.300 1
1077 103 103 GLU N N 121.754 0.300 1
1078 104 104 GLU H H 8.558 0.030 1
1079 104 104 GLU HA H 4.279 0.030 1
1080 104 104 GLU HB2 H 1.890 0.030 2
1081 104 104 GLU HB3 H 2.010 0.030 2
1082 104 104 GLU HG2 H 2.178 0.030 2
1083 104 104 GLU HG3 H 2.248 0.030 2
1084 104 104 GLU C C 176.308 0.300 1
1085 104 104 GLU CA C 56.519 0.300 1
1086 104 104 GLU CB C 30.455 0.300 1
1087 104 104 GLU CG C 36.292 0.300 1
1088 104 104 GLU N N 122.272 0.300 1
1089 105 105 ILE H H 8.186 0.030 1
1090 105 105 ILE HA H 4.133 0.030 1
1091 105 105 ILE HB H 1.816 0.030 1
1092 105 105 ILE HD1 H 0.822 0.030 1
1093 105 105 ILE HG12 H 1.158 0.030 2
1094 105 105 ILE HG13 H 1.446 0.030 2
1095 105 105 ILE HG2 H 0.865 0.030 1
1096 105 105 ILE C C 176.102 0.300 1
1097 105 105 ILE CA C 60.969 0.300 1
1098 105 105 ILE CB C 38.510 0.300 1
1099 105 105 ILE CD1 C 12.946 0.300 1
1100 105 105 ILE CG1 C 27.332 0.300 1
1101 105 105 ILE CG2 C 17.503 0.300 1
1102 105 105 ILE N N 122.674 0.300 1
1103 106 106 GLN H H 8.455 0.030 1
1104 106 106 GLN HA H 4.364 0.030 1
1105 106 106 GLN HB2 H 1.944 0.030 2
1106 106 106 GLN HB3 H 2.047 0.030 2
1107 106 106 GLN HE21 H 6.878 0.030 2
1108 106 106 GLN HE22 H 7.512 0.030 2
1109 106 106 GLN HG2 H 2.329 0.030 2
1110 106 106 GLN HG3 H 2.340 0.030 2
1111 106 106 GLN C C 175.762 0.300 1
1112 106 106 GLN CA C 55.587 0.300 1
1113 106 106 GLN CB C 29.633 0.300 1
1114 106 106 GLN CG C 33.826 0.300 1
1115 106 106 GLN N N 125.258 0.300 1
1116 106 106 GLN NE2 N 112.717 0.300 1
1117 107 107 VAL H H 8.286 0.030 1
1118 107 107 VAL HA H 4.142 0.030 1
1119 107 107 VAL HB H 2.036 0.030 1
1120 107 107 VAL HG1 H 0.908 0.030 1
1121 107 107 VAL HG2 H 0.903 0.030 1
1122 107 107 VAL C C 175.933 0.300 1
1123 107 107 VAL CA C 62.077 0.300 1
1124 107 107 VAL CB C 33.045 0.300 1
1125 107 107 VAL CG1 C 20.431 0.300 2
1126 107 107 VAL CG2 C 21.157 0.300 2
1127 107 107 VAL N N 122.419 0.300 1
1128 108 108 SER H H 8.558 0.030 1
1129 108 108 SER HA H 4.122 0.030 1
1130 108 108 SER HB2 H 3.819 0.030 2
1131 108 108 SER HB3 H 3.871 0.030 2
1132 108 108 SER C C 172.917 0.300 1
1133 108 108 SER CA C 56.291 0.300 1
1134 108 108 SER CB C 63.256 0.300 1
1135 108 108 SER N N 121.566 0.300 1
1136 109 109 PRO HA H 4.412 0.030 1
1137 109 109 PRO HB2 H 2.288 0.030 2
1138 109 109 PRO HB3 H 1.974 0.030 2
1139 109 109 PRO HD2 H 3.844 0.030 2
1140 109 109 PRO HD3 H 3.751 0.030 2
1141 109 109 PRO HG2 H 2.001 0.030 1
1142 109 109 PRO HG3 H 2.001 0.030 1
1143 109 109 PRO C C 177.495 0.300 1
1144 109 109 PRO CA C 63.678 0.300 1
1145 109 109 PRO CB C 32.100 0.300 1
1146 109 109 PRO CD C 50.843 0.300 1
1147 109 109 PRO CG C 27.496 0.300 1
1148 110 110 GLY H H 8.395 0.030 1
1149 110 110 GLY HA2 H 3.941 0.030 2
1150 110 110 GLY HA3 H 4.553 0.030 2
1151 110 110 GLY C C 174.043 0.300 1
1152 110 110 GLY CA C 45.264 0.300 1
1153 110 110 GLY N N 108.852 0.300 1
1154 111 111 ASP H H 8.200 0.030 1
1155 111 111 ASP HA H 4.642 0.030 1
1156 111 111 ASP HB2 H 2.674 0.030 2
1157 111 111 ASP C C 176.671 0.300 1
1158 111 111 ASP CA C 54.620 0.300 1
1159 111 111 ASP CB C 41.224 0.300 1
1160 111 111 ASP N N 120.623 0.300 1
1161 112 112 THR H H 8.081 0.030 1
1162 112 112 THR HA H 4.304 0.030 1
1163 112 112 THR HB H 4.213 0.030 1
1164 112 112 THR HG2 H 1.184 0.030 1
1165 112 112 THR C C 174.649 0.300 1
1166 112 112 THR CA C 62.115 0.300 1
1167 112 112 THR CB C 69.807 0.300 1
1168 112 112 THR CG2 C 21.577 0.300 1
1169 112 112 THR N N 113.724 0.300 1
1170 113 113 GLU H H 8.378 0.030 1
1171 113 113 GLU HA H 4.267 0.030 1
1172 113 113 GLU HB2 H 1.986 0.030 2
1173 113 113 GLU HB3 H 1.923 0.030 2
1174 113 113 GLU C C 176.453 0.300 1
1175 113 113 GLU CA C 56.608 0.300 1
1176 113 113 GLU CB C 30.209 0.300 1
1177 113 113 GLU CG C 36.292 0.300 1
1178 113 113 GLU N N 123.376 0.300 1
1179 114 114 ILE H H 8.173 0.030 1
1180 114 114 ILE HA H 4.183 0.030 1
1181 114 114 ILE HB H 1.841 0.030 1
1182 114 114 ILE HD1 H 0.829 0.030 1
1183 114 114 ILE HG12 H 1.168 0.030 2
1184 114 114 ILE HG13 H 1.431 0.030 2
1185 114 114 ILE HG2 H 0.880 0.030 1
1186 114 114 ILE C C 176.296 0.300 1
1187 114 114 ILE CA C 61.198 0.300 1
1188 114 114 ILE CB C 38.758 0.300 1
1189 114 114 ILE CD1 C 12.863 0.300 1
1190 114 114 ILE CG1 C 27.167 0.300 1
1191 114 114 ILE CG2 C 17.509 0.300 1
1192 114 114 ILE N N 121.950 0.300 1
1193 115 115 SER H H 8.370 0.030 1
1194 115 115 SER HA H 4.497 0.030 1
1195 115 115 SER HB2 H 3.821 0.030 2
1196 115 115 SER C C 174.491 0.300 1
1197 115 115 SER CA C 58.348 0.300 1
1198 115 115 SER CB C 63.995 0.300 1
1199 115 115 SER N N 119.965 0.300 1
1200 116 116 GLY H H 8.221 0.030 1
1201 116 116 GLY C C 171.682 0.300 1
1202 116 116 GLY CA C 44.719 0.300 1
1203 116 116 GLY N N 110.894 0.300 1
1204 117 117 PRO HA H 4.462 0.030 1
1205 117 117 PRO HD2 H 3.610 0.030 2
1206 117 117 PRO CA C 63.172 0.300 1
1207 117 117 PRO CB C 32.372 0.300 1
1208 117 117 PRO CD C 49.887 0.300 1
1209 117 117 PRO CG C 27.341 0.300 1
stop_
save_