data_10097
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3
;
_BMRB_accession_number 10097
_BMRB_flat_file_name bmr10097.str
_Entry_type original
_Submission_date 2007-02-13
_Accession_date 2007-02-13
_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 Miyamoto K. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Kobayashi N. . .
5 Tochio N. . .
6 Inoue M. . .
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" 580
"13C chemical shifts" 430
"15N chemical shifts" 110
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-15 original author .
stop_
_Original_release_date 2008-08-15
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3'
_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 Miyamoto K. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Kobayashi N. . .
5 Tochio N. . .
6 Inoue M. . .
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 'SH3 domain-binding glutamic acid-rich-like protein 3'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'SH3 domain-binding glutamic acid-rich-like protein 3' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_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-binding glutamic acid-rich-like protein 3 (SH3BGR)'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 100
_Mol_residue_sequence
;
GSEGAATMSGLRVYSTSVTG
SREIKSQQSEVTRILDGKRI
QYQLVDISQDNALRDEMRTL
AGNPKATPPQIVNGNHYCGD
YELFVEAVEQDTLQEFLKLA
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 GLU 4 GLY 5 ALA
6 ALA 7 THR 8 MET 9 SER 10 GLY
11 LEU 12 ARG 13 VAL 14 TYR 15 SER
16 THR 17 SER 18 VAL 19 THR 20 GLY
21 SER 22 ARG 23 GLU 24 ILE 25 LYS
26 SER 27 GLN 28 GLN 29 SER 30 GLU
31 VAL 32 THR 33 ARG 34 ILE 35 LEU
36 ASP 37 GLY 38 LYS 39 ARG 40 ILE
41 GLN 42 TYR 43 GLN 44 LEU 45 VAL
46 ASP 47 ILE 48 SER 49 GLN 50 ASP
51 ASN 52 ALA 53 LEU 54 ARG 55 ASP
56 GLU 57 MET 58 ARG 59 THR 60 LEU
61 ALA 62 GLY 63 ASN 64 PRO 65 LYS
66 ALA 67 THR 68 PRO 69 PRO 70 GLN
71 ILE 72 VAL 73 ASN 74 GLY 75 ASN
76 HIS 77 TYR 78 CYS 79 GLY 80 ASP
81 TYR 82 GLU 83 LEU 84 PHE 85 VAL
86 GLU 87 ALA 88 VAL 89 GLU 90 GLN
91 ASP 92 THR 93 LEU 94 GLN 95 GLU
96 PHE 97 LEU 98 LYS 99 LEU 100 ALA
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 1J0F "Solution Structure Of The Sh3 Domain Binding Glutamic Acid- Rich Protein Like 3" 100.00 100 100.00 100.00 1.44e-66
PDB 1T1V "Crystal Structure Of The Glutaredoxin-Like Protein Sh3bgrl3 At 1.6 A Resolution" 93.00 93 100.00 100.00 2.31e-61
DBJ BAC25034 "unnamed protein product [Mus musculus]" 93.00 93 100.00 100.00 2.31e-61
GB AAH08110 "SH3 domain binding glutamic acid-rich protein-like 3 [Mus musculus]" 93.00 93 100.00 100.00 2.31e-61
GB AAI67002 "SH3 domain binding glutamic acid-rich protein-like 3 [Rattus norvegicus]" 93.00 93 97.85 100.00 6.85e-60
GB EDL30032 "SH3 domain binding glutamic acid-rich protein-like 3, isoform CRA_b [Mus musculus]" 93.00 93 100.00 100.00 2.31e-61
GB EDL80707 "SH3 domain binding glutamic acid-rich protein-like 3 (predicted), isoform CRA_b [Rattus norvegicus]" 93.00 93 97.85 100.00 6.85e-60
REF NP_001100158 "SH3 domain-binding glutamic acid-rich-like protein 3 [Rattus norvegicus]" 93.00 93 97.85 100.00 6.85e-60
REF NP_542126 "SH3 domain-binding glutamic acid-rich-like protein 3 [Mus musculus]" 93.00 93 100.00 100.00 2.31e-61
SP Q91VW3 "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 3" 93.00 93 100.00 100.00 2.31e-61
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 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_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P020401-39
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.2 mM '[U-13C; U-15N]'
phosphate 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.613
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 1.0.6
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
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_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_
save_2D_TROSY_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TROSY HNCO'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_2D_TROSY_HNCO
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TROSY HNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
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 6.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS 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_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
'2D TROSY HNCO'
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-binding glutamic acid-rich-like protein 3'
_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 2 2 SER HA H 4.511 0.030 1
2 2 2 SER HB2 H 3.893 0.030 1
3 2 2 SER HB3 H 3.893 0.030 1
4 2 2 SER C C 174.671 0.300 1
5 2 2 SER CA C 58.535 0.300 1
6 2 2 SER CB C 63.804 0.300 1
7 3 3 GLU H H 8.804 0.030 1
8 3 3 GLU HA H 4.314 0.030 1
9 3 3 GLU HB2 H 1.977 0.030 2
10 3 3 GLU HB3 H 2.090 0.030 2
11 3 3 GLU HG2 H 2.300 0.030 1
12 3 3 GLU HG3 H 2.300 0.030 1
13 3 3 GLU C C 177.071 0.300 1
14 3 3 GLU CA C 57.112 0.300 1
15 3 3 GLU CB C 29.785 0.300 1
16 3 3 GLU CG C 36.203 0.300 1
17 3 3 GLU N N 123.130 0.300 1
18 4 4 GLY H H 8.444 0.030 1
19 4 4 GLY HA2 H 3.951 0.030 1
20 4 4 GLY HA3 H 3.951 0.030 1
21 4 4 GLY C C 173.920 0.300 1
22 4 4 GLY CA C 45.357 0.300 1
23 4 4 GLY N N 110.112 0.300 1
24 5 5 ALA H H 8.131 0.030 1
25 5 5 ALA HA H 4.364 0.030 1
26 5 5 ALA HB H 1.394 0.030 1
27 5 5 ALA C C 177.688 0.300 1
28 5 5 ALA CA C 52.560 0.300 1
29 5 5 ALA CB C 19.446 0.300 1
30 5 5 ALA N N 123.881 0.300 1
31 6 6 ALA H H 8.341 0.030 1
32 6 6 ALA HA H 4.307 0.030 1
33 6 6 ALA HB H 1.384 0.030 1
34 6 6 ALA C C 178.073 0.300 1
35 6 6 ALA CA C 52.675 0.300 1
36 6 6 ALA CB C 19.255 0.300 1
37 6 6 ALA N N 123.296 0.300 1
38 7 7 THR H H 8.109 0.030 1
39 7 7 THR HA H 4.310 0.030 1
40 7 7 THR HB H 4.193 0.030 1
41 7 7 THR HG2 H 1.199 0.030 1
42 7 7 THR C C 174.640 0.300 1
43 7 7 THR CA C 62.012 0.300 1
44 7 7 THR CB C 69.913 0.300 1
45 7 7 THR CG2 C 21.729 0.300 1
46 7 7 THR N N 113.385 0.300 1
47 8 8 MET H H 8.357 0.030 1
48 8 8 MET HA H 4.509 0.030 1
49 8 8 MET HB2 H 2.054 0.030 2
50 8 8 MET HB3 H 1.977 0.030 2
51 8 8 MET HG2 H 2.510 0.030 2
52 8 8 MET HG3 H 2.612 0.030 2
53 8 8 MET HE H 2.066 0.030 1
54 8 8 MET C C 175.888 0.300 1
55 8 8 MET CA C 55.461 0.300 1
56 8 8 MET CB C 32.992 0.300 1
57 8 8 MET CG C 32.233 0.300 1
58 8 8 MET CE C 17.228 0.300 1
59 8 8 MET N N 122.798 0.300 1
60 9 9 SER H H 8.272 0.030 1
61 9 9 SER HA H 4.511 0.030 1
62 9 9 SER HB2 H 3.821 0.030 2
63 9 9 SER HB3 H 3.883 0.030 2
64 9 9 SER C C 174.577 0.300 1
65 9 9 SER CA C 58.321 0.300 1
66 9 9 SER CB C 64.670 0.300 1
67 9 9 SER N N 116.551 0.300 1
68 10 10 GLY H H 8.405 0.030 1
69 10 10 GLY HA2 H 4.053 0.030 1
70 10 10 GLY HA3 H 4.053 0.030 1
71 10 10 GLY C C 174.698 0.300 1
72 10 10 GLY CA C 45.124 0.300 1
73 10 10 GLY N N 110.768 0.300 1
74 11 11 LEU H H 8.486 0.030 1
75 11 11 LEU HA H 4.857 0.030 1
76 11 11 LEU HB2 H 1.835 0.030 2
77 11 11 LEU HB3 H 1.677 0.030 2
78 11 11 LEU HG H 1.590 0.030 1
79 11 11 LEU HD1 H 1.022 0.030 1
80 11 11 LEU HD2 H 1.024 0.030 1
81 11 11 LEU C C 177.029 0.300 1
82 11 11 LEU CA C 55.949 0.300 1
83 11 11 LEU CB C 43.037 0.300 1
84 11 11 LEU CG C 27.891 0.300 1
85 11 11 LEU CD1 C 25.788 0.300 2
86 11 11 LEU CD2 C 26.609 0.300 2
87 11 11 LEU N N 124.275 0.300 1
88 12 12 ARG H H 9.663 0.030 1
89 12 12 ARG HA H 5.395 0.030 1
90 12 12 ARG HB2 H 1.644 0.030 2
91 12 12 ARG HB3 H 1.344 0.030 2
92 12 12 ARG HG2 H 1.339 0.030 2
93 12 12 ARG HG3 H 1.689 0.030 2
94 12 12 ARG HD2 H 2.901 0.030 2
95 12 12 ARG HD3 H 3.175 0.030 2
96 12 12 ARG HE H 6.846 0.030 1
97 12 12 ARG C C 173.796 0.300 1
98 12 12 ARG CA C 55.073 0.300 1
99 12 12 ARG CB C 33.475 0.300 1
100 12 12 ARG CG C 26.553 0.300 1
101 12 12 ARG CD C 43.761 0.300 1
102 12 12 ARG N N 126.151 0.300 1
103 12 12 ARG NE N 81.372 0.300 1
104 13 13 VAL H H 8.675 0.030 1
105 13 13 VAL HA H 4.626 0.030 1
106 13 13 VAL HB H 1.912 0.030 1
107 13 13 VAL HG1 H 0.443 0.030 1
108 13 13 VAL HG2 H 0.617 0.030 1
109 13 13 VAL C C 175.611 0.300 1
110 13 13 VAL CA C 60.749 0.300 1
111 13 13 VAL CB C 33.655 0.300 1
112 13 13 VAL CG1 C 20.520 0.300 2
113 13 13 VAL CG2 C 20.336 0.300 2
114 13 13 VAL N N 121.862 0.300 1
115 14 14 TYR H H 9.439 0.030 1
116 14 14 TYR HA H 4.852 0.030 1
117 14 14 TYR HB2 H 2.987 0.030 2
118 14 14 TYR HB3 H 2.930 0.030 2
119 14 14 TYR HD1 H 7.010 0.030 1
120 14 14 TYR HD2 H 7.010 0.030 1
121 14 14 TYR HE1 H 6.743 0.030 1
122 14 14 TYR HE2 H 6.743 0.030 1
123 14 14 TYR C C 174.781 0.300 1
124 14 14 TYR CA C 59.377 0.300 1
125 14 14 TYR CB C 39.404 0.300 1
126 14 14 TYR CD1 C 132.850 0.300 1
127 14 14 TYR CD2 C 132.850 0.300 1
128 14 14 TYR CE1 C 117.605 0.300 1
129 14 14 TYR CE2 C 117.605 0.300 1
130 14 14 TYR N N 127.058 0.300 1
131 15 15 SER H H 9.137 0.030 1
132 15 15 SER HA H 5.047 0.030 1
133 15 15 SER HB2 H 3.612 0.030 2
134 15 15 SER HB3 H 3.485 0.030 2
135 15 15 SER C C 172.013 0.300 1
136 15 15 SER CA C 57.056 0.300 1
137 15 15 SER CB C 68.238 0.300 1
138 15 15 SER N N 118.402 0.300 1
139 16 16 THR H H 9.701 0.030 1
140 16 16 THR HA H 5.371 0.030 1
141 16 16 THR HB H 4.028 0.030 1
142 16 16 THR HG2 H 1.242 0.030 1
143 16 16 THR C C 173.699 0.300 1
144 16 16 THR CA C 59.130 0.300 1
145 16 16 THR CB C 70.887 0.300 1
146 16 16 THR CG2 C 20.403 0.300 1
147 16 16 THR N N 113.206 0.300 1
148 17 17 SER H H 8.190 0.030 1
149 17 17 SER HA H 4.424 0.030 1
150 17 17 SER HB2 H 4.001 0.030 2
151 17 17 SER HB3 H 3.730 0.030 2
152 17 17 SER C C 175.200 0.300 1
153 17 17 SER CA C 58.962 0.300 1
154 17 17 SER CB C 63.223 0.300 1
155 17 17 SER N N 122.703 0.300 1
156 18 18 VAL H H 7.833 0.030 1
157 18 18 VAL HA H 4.385 0.030 1
158 18 18 VAL HB H 1.991 0.030 1
159 18 18 VAL HG1 H 0.910 0.030 1
160 18 18 VAL HG2 H 0.891 0.030 1
161 18 18 VAL C C 174.756 0.300 1
162 18 18 VAL CA C 61.715 0.300 1
163 18 18 VAL CB C 33.405 0.300 1
164 18 18 VAL CG1 C 20.198 0.300 2
165 18 18 VAL CG2 C 21.027 0.300 2
166 18 18 VAL N N 121.969 0.300 1
167 19 19 THR H H 7.997 0.030 1
168 19 19 THR HA H 4.435 0.030 1
169 19 19 THR HB H 4.420 0.030 1
170 19 19 THR HG2 H 1.025 0.030 1
171 19 19 THR C C 172.586 0.300 1
172 19 19 THR CA C 61.525 0.300 1
173 19 19 THR CB C 68.002 0.300 1
174 19 19 THR CG2 C 19.458 0.300 1
175 19 19 THR N N 119.770 0.300 1
176 20 20 GLY HA2 H 3.721 0.030 2
177 20 20 GLY HA3 H 4.327 0.030 2
178 20 20 GLY C C 174.623 0.300 1
179 20 20 GLY CA C 45.056 0.300 1
180 21 21 SER H H 8.379 0.030 1
181 21 21 SER HA H 4.600 0.030 1
182 21 21 SER HB2 H 3.957 0.030 2
183 21 21 SER HB3 H 3.976 0.030 2
184 21 21 SER C C 175.420 0.300 1
185 21 21 SER CA C 56.772 0.300 1
186 21 21 SER CB C 63.417 0.300 1
187 21 21 SER N N 116.769 0.300 1
188 22 22 ARG H H 9.022 0.030 1
189 22 22 ARG HA H 3.967 0.030 1
190 22 22 ARG HB2 H 1.850 0.030 2
191 22 22 ARG HB3 H 1.937 0.030 2
192 22 22 ARG HG2 H 1.763 0.030 2
193 22 22 ARG HG3 H 1.690 0.030 2
194 22 22 ARG HD2 H 3.244 0.030 1
195 22 22 ARG HD3 H 3.244 0.030 1
196 22 22 ARG C C 178.599 0.300 1
197 22 22 ARG CA C 59.121 0.300 1
198 22 22 ARG CB C 29.627 0.300 1
199 22 22 ARG CG C 27.360 0.300 1
200 22 22 ARG CD C 43.341 0.300 1
201 22 22 ARG N N 130.457 0.300 1
202 23 23 GLU H H 8.455 0.030 1
203 23 23 GLU HA H 4.003 0.030 1
204 23 23 GLU HB2 H 1.842 0.030 2
205 23 23 GLU HB3 H 1.941 0.030 2
206 23 23 GLU HG2 H 2.166 0.030 2
207 23 23 GLU HG3 H 2.247 0.030 2
208 23 23 GLU C C 177.784 0.300 1
209 23 23 GLU CA C 60.232 0.300 1
210 23 23 GLU CB C 29.517 0.300 1
211 23 23 GLU CG C 37.050 0.300 1
212 23 23 GLU N N 120.875 0.300 1
213 24 24 ILE H H 7.742 0.030 1
214 24 24 ILE HA H 3.587 0.030 1
215 24 24 ILE HB H 1.715 0.030 1
216 24 24 ILE HG12 H 1.270 0.030 2
217 24 24 ILE HG13 H 1.711 0.030 2
218 24 24 ILE HG2 H 0.743 0.030 1
219 24 24 ILE HD1 H 0.984 0.030 1
220 24 24 ILE C C 178.452 0.300 1
221 24 24 ILE CA C 65.629 0.300 1
222 24 24 ILE CB C 38.174 0.300 1
223 24 24 ILE CG1 C 28.842 0.300 1
224 24 24 ILE CG2 C 16.919 0.300 1
225 24 24 ILE CD1 C 13.287 0.300 1
226 24 24 ILE N N 119.804 0.300 1
227 25 25 LYS H H 7.450 0.030 1
228 25 25 LYS HA H 3.917 0.030 1
229 25 25 LYS HB2 H 1.797 0.030 2
230 25 25 LYS HB3 H 1.877 0.030 2
231 25 25 LYS HG2 H 1.355 0.030 2
232 25 25 LYS HG3 H 1.569 0.030 2
233 25 25 LYS HD2 H 1.648 0.030 1
234 25 25 LYS HD3 H 1.648 0.030 1
235 25 25 LYS HE2 H 2.909 0.030 2
236 25 25 LYS HE3 H 2.956 0.030 2
237 25 25 LYS C C 179.700 0.300 1
238 25 25 LYS CA C 60.330 0.300 1
239 25 25 LYS CB C 32.447 0.300 1
240 25 25 LYS CG C 25.743 0.300 1
241 25 25 LYS CD C 29.387 0.300 1
242 25 25 LYS CE C 42.102 0.300 1
243 25 25 LYS N N 116.903 0.300 1
244 26 26 SER H H 8.224 0.030 1
245 26 26 SER HA H 4.180 0.030 1
246 26 26 SER HB2 H 3.956 0.030 1
247 26 26 SER HB3 H 3.956 0.030 1
248 26 26 SER C C 177.000 0.300 1
249 26 26 SER CA C 61.602 0.300 1
250 26 26 SER CB C 62.952 0.300 1
251 26 26 SER N N 115.060 0.300 1
252 27 27 GLN H H 8.317 0.030 1
253 27 27 GLN HA H 3.560 0.030 1
254 27 27 GLN HB2 H 1.868 0.030 2
255 27 27 GLN HB3 H 1.163 0.030 2
256 27 27 GLN HG2 H 2.307 0.030 2
257 27 27 GLN HG3 H 0.430 0.030 2
258 27 27 GLN HE21 H 6.425 0.030 2
259 27 27 GLN HE22 H 6.872 0.030 2
260 27 27 GLN C C 179.015 0.300 1
261 27 27 GLN CA C 59.131 0.300 1
262 27 27 GLN CB C 28.344 0.300 1
263 27 27 GLN CG C 33.102 0.300 1
264 27 27 GLN N N 121.888 0.300 1
265 27 27 GLN NE2 N 107.454 0.300 1
266 28 28 GLN H H 8.569 0.030 1
267 28 28 GLN HA H 3.732 0.030 1
268 28 28 GLN HB2 H 2.051 0.030 2
269 28 28 GLN HB3 H 2.136 0.030 2
270 28 28 GLN HG2 H 2.381 0.030 2
271 28 28 GLN HG3 H 2.650 0.030 2
272 28 28 GLN HE21 H 7.179 0.030 2
273 28 28 GLN HE22 H 7.377 0.030 2
274 28 28 GLN C C 177.664 0.300 1
275 28 28 GLN CA C 59.811 0.300 1
276 28 28 GLN CB C 27.622 0.300 1
277 28 28 GLN CG C 35.393 0.300 1
278 28 28 GLN N N 116.425 0.300 1
279 28 28 GLN NE2 N 106.494 0.300 1
280 29 29 SER H H 7.802 0.030 1
281 29 29 SER HA H 4.297 0.030 1
282 29 29 SER HB2 H 4.060 0.030 2
283 29 29 SER HB3 H 4.012 0.030 2
284 29 29 SER C C 175.955 0.300 1
285 29 29 SER CA C 61.497 0.300 1
286 29 29 SER CB C 62.986 0.300 1
287 29 29 SER N N 114.505 0.300 1
288 30 30 GLU H H 8.015 0.030 1
289 30 30 GLU HA H 4.261 0.030 1
290 30 30 GLU HB2 H 2.322 0.030 2
291 30 30 GLU HB3 H 2.386 0.030 2
292 30 30 GLU HG2 H 2.456 0.030 1
293 30 30 GLU HG3 H 2.456 0.030 1
294 30 30 GLU C C 178.006 0.300 1
295 30 30 GLU CA C 59.355 0.300 1
296 30 30 GLU CB C 30.671 0.300 1
297 30 30 GLU CG C 36.252 0.300 1
298 30 30 GLU N N 122.832 0.300 1
299 31 31 VAL H H 7.708 0.030 1
300 31 31 VAL HA H 3.352 0.030 1
301 31 31 VAL HB H 1.869 0.030 1
302 31 31 VAL HG1 H 0.145 0.030 1
303 31 31 VAL HG2 H 0.558 0.030 1
304 31 31 VAL C C 177.734 0.300 1
305 31 31 VAL CA C 66.027 0.300 1
306 31 31 VAL CB C 31.695 0.300 1
307 31 31 VAL CG1 C 21.085 0.300 2
308 31 31 VAL CG2 C 21.811 0.300 2
309 31 31 VAL N N 116.582 0.300 1
310 32 32 THR H H 7.753 0.030 1
311 32 32 THR HA H 3.585 0.030 1
312 32 32 THR HB H 4.506 0.030 1
313 32 32 THR HG2 H 1.159 0.030 1
314 32 32 THR C C 176.256 0.300 1
315 32 32 THR CA C 65.826 0.300 1
316 32 32 THR CB C 67.829 0.300 1
317 32 32 THR CG2 C 22.301 0.300 1
318 32 32 THR N N 107.592 0.300 1
319 33 33 ARG H H 8.237 0.030 1
320 33 33 ARG HA H 4.160 0.030 1
321 33 33 ARG HB2 H 2.057 0.030 2
322 33 33 ARG HB3 H 2.089 0.030 2
323 33 33 ARG HG2 H 1.757 0.030 2
324 33 33 ARG HG3 H 1.609 0.030 2
325 33 33 ARG HD2 H 3.365 0.030 2
326 33 33 ARG HD3 H 3.172 0.030 2
327 33 33 ARG HE H 7.687 0.030 1
328 33 33 ARG C C 180.718 0.300 1
329 33 33 ARG CA C 60.054 0.300 1
330 33 33 ARG CB C 30.405 0.300 1
331 33 33 ARG CG C 27.405 0.300 1
332 33 33 ARG CD C 43.423 0.300 1
333 33 33 ARG N N 122.678 0.300 1
334 33 33 ARG NE N 83.224 0.300 1
335 34 34 ILE H H 8.201 0.030 1
336 34 34 ILE HA H 3.892 0.030 1
337 34 34 ILE HB H 2.208 0.030 1
338 34 34 ILE HG12 H 1.320 0.030 2
339 34 34 ILE HG13 H 1.941 0.030 2
340 34 34 ILE HG2 H 0.905 0.030 1
341 34 34 ILE HD1 H 1.022 0.030 1
342 34 34 ILE C C 179.215 0.300 1
343 34 34 ILE CA C 64.672 0.300 1
344 34 34 ILE CB C 37.459 0.300 1
345 34 34 ILE CG1 C 29.966 0.300 1
346 34 34 ILE CG2 C 17.042 0.300 1
347 34 34 ILE CD1 C 13.332 0.300 1
348 34 34 ILE N N 121.168 0.300 1
349 35 35 LEU H H 8.261 0.030 1
350 35 35 LEU HA H 3.970 0.030 1
351 35 35 LEU HB2 H 1.441 0.030 2
352 35 35 LEU HB3 H 1.741 0.030 2
353 35 35 LEU HG H 2.000 0.030 1
354 35 35 LEU HD1 H 0.841 0.030 1
355 35 35 LEU HD2 H 0.079 0.030 1
356 35 35 LEU C C 179.390 0.300 1
357 35 35 LEU CA C 59.064 0.300 1
358 35 35 LEU CB C 41.456 0.300 1
359 35 35 LEU CG C 26.249 0.300 1
360 35 35 LEU CD1 C 23.793 0.300 2
361 35 35 LEU CD2 C 25.713 0.300 2
362 35 35 LEU N N 119.705 0.300 1
363 36 36 ASP H H 9.146 0.030 1
364 36 36 ASP HA H 4.663 0.030 1
365 36 36 ASP HB2 H 2.979 0.030 2
366 36 36 ASP HB3 H 2.720 0.030 2
367 36 36 ASP C C 181.721 0.300 1
368 36 36 ASP CA C 57.519 0.300 1
369 36 36 ASP CB C 39.735 0.300 1
370 36 36 ASP N N 119.115 0.300 1
371 37 37 GLY H H 8.338 0.030 1
372 37 37 GLY HA2 H 3.987 0.030 2
373 37 37 GLY HA3 H 4.051 0.030 2
374 37 37 GLY C C 175.709 0.300 1
375 37 37 GLY CA C 46.962 0.300 1
376 37 37 GLY N N 109.426 0.300 1
377 38 38 LYS H H 7.595 0.030 1
378 38 38 LYS HA H 4.367 0.030 1
379 38 38 LYS HB2 H 1.753 0.030 2
380 38 38 LYS HB3 H 2.091 0.030 2
381 38 38 LYS HG2 H 1.472 0.030 2
382 38 38 LYS HG3 H 1.606 0.030 2
383 38 38 LYS HD2 H 1.508 0.030 2
384 38 38 LYS HD3 H 1.672 0.030 2
385 38 38 LYS HE2 H 2.899 0.030 2
386 38 38 LYS HE3 H 2.963 0.030 2
387 38 38 LYS C C 175.077 0.300 1
388 38 38 LYS CA C 55.678 0.300 1
389 38 38 LYS CB C 33.469 0.300 1
390 38 38 LYS CG C 25.518 0.300 1
391 38 38 LYS CD C 28.891 0.300 1
392 38 38 LYS CE C 42.019 0.300 1
393 38 38 LYS N N 118.968 0.300 1
394 39 39 ARG H H 8.063 0.030 1
395 39 39 ARG HA H 3.954 0.030 1
396 39 39 ARG HB2 H 2.011 0.030 2
397 39 39 ARG HB3 H 2.138 0.030 2
398 39 39 ARG HG2 H 1.620 0.030 1
399 39 39 ARG HG3 H 1.620 0.030 1
400 39 39 ARG HD2 H 3.260 0.030 1
401 39 39 ARG HD3 H 3.260 0.030 1
402 39 39 ARG C C 175.512 0.300 1
403 39 39 ARG CA C 56.998 0.300 1
404 39 39 ARG CB C 26.450 0.300 1
405 39 39 ARG CG C 27.545 0.300 1
406 39 39 ARG CD C 43.454 0.300 1
407 39 39 ARG N N 116.226 0.300 1
408 40 40 ILE H H 7.992 0.030 1
409 40 40 ILE HA H 4.049 0.030 1
410 40 40 ILE HB H 1.662 0.030 1
411 40 40 ILE HG12 H 1.577 0.030 2
412 40 40 ILE HG13 H 1.032 0.030 2
413 40 40 ILE HG2 H 0.918 0.030 1
414 40 40 ILE HD1 H 0.762 0.030 1
415 40 40 ILE C C 175.890 0.300 1
416 40 40 ILE CA C 61.064 0.300 1
417 40 40 ILE CB C 39.231 0.300 1
418 40 40 ILE CG1 C 28.181 0.300 1
419 40 40 ILE CG2 C 18.394 0.300 1
420 40 40 ILE CD1 C 13.633 0.300 1
421 40 40 ILE N N 120.998 0.300 1
422 41 41 GLN H H 8.545 0.030 1
423 41 41 GLN HA H 4.302 0.030 1
424 41 41 GLN HB2 H 2.004 0.030 2
425 41 41 GLN HB3 H 2.045 0.030 2
426 41 41 GLN HG2 H 2.314 0.030 2
427 41 41 GLN HG3 H 2.385 0.030 2
428 41 41 GLN HE21 H 7.455 0.030 2
429 41 41 GLN HE22 H 6.798 0.030 2
430 41 41 GLN C C 174.951 0.300 1
431 41 41 GLN CA C 56.077 0.300 1
432 41 41 GLN CB C 29.405 0.300 1
433 41 41 GLN CG C 34.105 0.300 1
434 41 41 GLN N N 128.054 0.300 1
435 41 41 GLN NE2 N 112.450 0.300 1
436 42 42 TYR H H 7.655 0.030 1
437 42 42 TYR HA H 4.905 0.030 1
438 42 42 TYR HB2 H 2.896 0.030 2
439 42 42 TYR HB3 H 2.413 0.030 2
440 42 42 TYR HD1 H 6.775 0.030 1
441 42 42 TYR HD2 H 6.775 0.030 1
442 42 42 TYR HE1 H 6.756 0.030 1
443 42 42 TYR HE2 H 6.756 0.030 1
444 42 42 TYR C C 173.144 0.300 1
445 42 42 TYR CA C 55.924 0.300 1
446 42 42 TYR CB C 40.754 0.300 1
447 42 42 TYR CD1 C 134.083 0.300 1
448 42 42 TYR CD2 C 134.083 0.300 1
449 42 42 TYR CE1 C 117.608 0.300 1
450 42 42 TYR CE2 C 117.608 0.300 1
451 42 42 TYR N N 117.802 0.300 1
452 43 43 GLN H H 8.377 0.030 1
453 43 43 GLN HA H 4.519 0.030 1
454 43 43 GLN HB2 H 1.874 0.030 2
455 43 43 GLN HB3 H 1.978 0.030 2
456 43 43 GLN HG2 H 2.138 0.030 2
457 43 43 GLN HG3 H 2.339 0.030 2
458 43 43 GLN HE21 H 6.823 0.030 2
459 43 43 GLN HE22 H 7.520 0.030 2
460 43 43 GLN C C 174.633 0.300 1
461 43 43 GLN CA C 54.059 0.300 1
462 43 43 GLN CB C 31.207 0.300 1
463 43 43 GLN CG C 33.656 0.300 1
464 43 43 GLN N N 119.286 0.300 1
465 43 43 GLN NE2 N 111.648 0.300 1
466 44 44 LEU H H 8.931 0.030 1
467 44 44 LEU HA H 4.973 0.030 1
468 44 44 LEU HB2 H 1.826 0.030 2
469 44 44 LEU HB3 H 1.510 0.030 2
470 44 44 LEU HG H 1.516 0.030 1
471 44 44 LEU HD1 H 0.958 0.030 1
472 44 44 LEU HD2 H 0.950 0.030 1
473 44 44 LEU C C 176.432 0.300 1
474 44 44 LEU CA C 54.191 0.300 1
475 44 44 LEU CB C 43.514 0.300 1
476 44 44 LEU CG C 27.424 0.300 1
477 44 44 LEU CD1 C 24.735 0.300 2
478 44 44 LEU CD2 C 24.980 0.300 2
479 44 44 LEU N N 129.129 0.300 1
480 45 45 VAL H H 8.806 0.030 1
481 45 45 VAL HA H 4.075 0.030 1
482 45 45 VAL HB H 1.499 0.030 1
483 45 45 VAL HG1 H 0.874 0.030 1
484 45 45 VAL HG2 H 0.477 0.030 1
485 45 45 VAL C C 174.607 0.300 1
486 45 45 VAL CA C 61.602 0.300 1
487 45 45 VAL CB C 33.353 0.300 1
488 45 45 VAL CG1 C 22.584 0.300 2
489 45 45 VAL CG2 C 20.265 0.300 2
490 45 45 VAL N N 128.583 0.300 1
491 46 46 ASP H H 8.697 0.030 1
492 46 46 ASP HA H 5.088 0.030 1
493 46 46 ASP HB2 H 2.958 0.030 2
494 46 46 ASP HB3 H 2.577 0.030 2
495 46 46 ASP C C 178.131 0.300 1
496 46 46 ASP CA C 51.980 0.300 1
497 46 46 ASP CB C 40.283 0.300 1
498 46 46 ASP N N 127.336 0.300 1
499 47 47 ILE H H 9.551 0.030 1
500 47 47 ILE HA H 4.328 0.030 1
501 47 47 ILE HB H 2.083 0.030 1
502 47 47 ILE HG12 H 1.405 0.030 2
503 47 47 ILE HG13 H 1.518 0.030 2
504 47 47 ILE HG2 H 1.345 0.030 1
505 47 47 ILE HD1 H 0.917 0.030 1
506 47 47 ILE C C 177.078 0.300 1
507 47 47 ILE CA C 63.338 0.300 1
508 47 47 ILE CB C 38.550 0.300 1
509 47 47 ILE CG1 C 25.202 0.300 1
510 47 47 ILE CG2 C 19.637 0.300 1
511 47 47 ILE CD1 C 15.178 0.300 1
512 47 47 ILE N N 119.671 0.300 1
513 48 48 SER H H 8.527 0.030 1
514 48 48 SER HA H 4.169 0.030 1
515 48 48 SER HB2 H 3.956 0.030 2
516 48 48 SER HB3 H 4.326 0.030 2
517 48 48 SER C C 175.799 0.300 1
518 48 48 SER CA C 61.251 0.300 1
519 48 48 SER CB C 63.447 0.300 1
520 48 48 SER N N 117.053 0.300 1
521 49 49 GLN H H 7.707 0.030 1
522 49 49 GLN HA H 4.249 0.030 1
523 49 49 GLN HB2 H 2.290 0.030 2
524 49 49 GLN HB3 H 1.976 0.030 2
525 49 49 GLN HG2 H 2.340 0.030 2
526 49 49 GLN HG3 H 2.426 0.030 2
527 49 49 GLN HE21 H 7.532 0.030 2
528 49 49 GLN HE22 H 6.857 0.030 2
529 49 49 GLN C C 175.888 0.300 1
530 49 49 GLN CA C 56.301 0.300 1
531 49 49 GLN CB C 29.540 0.300 1
532 49 49 GLN CG C 33.880 0.300 1
533 49 49 GLN N N 118.127 0.300 1
534 49 49 GLN NE2 N 112.773 0.300 1
535 50 50 ASP H H 7.096 0.030 1
536 50 50 ASP HA H 4.724 0.030 1
537 50 50 ASP HB2 H 2.683 0.030 2
538 50 50 ASP HB3 H 2.725 0.030 2
539 50 50 ASP C C 176.245 0.300 1
540 50 50 ASP CA C 54.109 0.300 1
541 50 50 ASP CB C 43.114 0.300 1
542 50 50 ASP N N 115.966 0.300 1
543 51 51 ASN H H 9.371 0.030 1
544 51 51 ASN HA H 4.520 0.030 1
545 51 51 ASN HB2 H 2.916 0.030 2
546 51 51 ASN HB3 H 2.869 0.030 2
547 51 51 ASN HD21 H 7.721 0.030 2
548 51 51 ASN HD22 H 6.961 0.030 2
549 51 51 ASN C C 176.811 0.300 1
550 51 51 ASN CA C 55.850 0.300 1
551 51 51 ASN CB C 37.785 0.300 1
552 51 51 ASN N N 127.042 0.300 1
553 51 51 ASN ND2 N 111.936 0.300 1
554 52 52 ALA H H 9.015 0.030 1
555 52 52 ALA HA H 4.267 0.030 1
556 52 52 ALA HB H 1.494 0.030 1
557 52 52 ALA C C 181.691 0.300 1
558 52 52 ALA CA C 55.386 0.300 1
559 52 52 ALA CB C 18.108 0.300 1
560 52 52 ALA N N 122.621 0.300 1
561 53 53 LEU H H 7.820 0.030 1
562 53 53 LEU HA H 4.315 0.030 1
563 53 53 LEU HB2 H 2.316 0.030 2
564 53 53 LEU HB3 H 1.463 0.030 2
565 53 53 LEU HG H 1.773 0.030 1
566 53 53 LEU HD1 H 1.018 0.030 1
567 53 53 LEU HD2 H 0.900 0.030 1
568 53 53 LEU C C 178.939 0.300 1
569 53 53 LEU CA C 57.196 0.300 1
570 53 53 LEU CB C 42.752 0.300 1
571 53 53 LEU CG C 27.087 0.300 1
572 53 53 LEU CD1 C 26.167 0.300 2
573 53 53 LEU CD2 C 22.369 0.300 2
574 53 53 LEU N N 118.731 0.300 1
575 54 54 ARG H H 7.172 0.030 1
576 54 54 ARG HA H 3.863 0.030 1
577 54 54 ARG HB2 H 2.089 0.030 2
578 54 54 ARG HB3 H 2.346 0.030 2
579 54 54 ARG HG2 H 1.829 0.030 2
580 54 54 ARG HG3 H 1.342 0.030 2
581 54 54 ARG HD2 H 3.172 0.030 2
582 54 54 ARG HD3 H 3.199 0.030 2
583 54 54 ARG HE H 6.829 0.030 1
584 54 54 ARG C C 177.934 0.300 1
585 54 54 ARG CA C 59.956 0.300 1
586 54 54 ARG CB C 29.882 0.300 1
587 54 54 ARG CG C 26.094 0.300 1
588 54 54 ARG CD C 43.341 0.300 1
589 54 54 ARG N N 120.386 0.300 1
590 54 54 ARG NE N 83.057 0.300 1
591 55 55 ASP H H 8.308 0.030 1
592 55 55 ASP HA H 4.363 0.030 1
593 55 55 ASP HB2 H 2.730 0.030 1
594 55 55 ASP HB3 H 2.730 0.030 1
595 55 55 ASP C C 178.608 0.300 1
596 55 55 ASP CA C 57.569 0.300 1
597 55 55 ASP CB C 39.478 0.300 1
598 55 55 ASP N N 119.567 0.300 1
599 56 56 GLU H H 8.140 0.030 1
600 56 56 GLU HA H 4.009 0.030 1
601 56 56 GLU HB2 H 2.349 0.030 1
602 56 56 GLU HB3 H 2.349 0.030 1
603 56 56 GLU HG2 H 2.456 0.030 1
604 56 56 GLU HG3 H 2.456 0.030 1
605 56 56 GLU C C 177.424 0.300 1
606 56 56 GLU CA C 59.779 0.300 1
607 56 56 GLU CB C 31.003 0.300 1
608 56 56 GLU CG C 36.818 0.300 1
609 56 56 GLU N N 124.256 0.300 1
610 57 57 MET H H 7.833 0.030 1
611 57 57 MET HA H 2.855 0.030 1
612 57 57 MET HB2 H 2.341 0.030 2
613 57 57 MET HB3 H 1.513 0.030 2
614 57 57 MET HG2 H 1.593 0.030 2
615 57 57 MET HG3 H 1.712 0.030 2
616 57 57 MET HE H 1.844 0.030 1
617 57 57 MET C C 175.786 0.300 1
618 57 57 MET CA C 59.403 0.300 1
619 57 57 MET CB C 32.510 0.300 1
620 57 57 MET CG C 31.679 0.300 1
621 57 57 MET CE C 17.911 0.300 1
622 57 57 MET N N 118.808 0.300 1
623 58 58 ARG H H 7.783 0.030 1
624 58 58 ARG HA H 3.631 0.030 1
625 58 58 ARG HB2 H 1.886 0.030 2
626 58 58 ARG HB3 H 1.835 0.030 2
627 58 58 ARG HG2 H 1.659 0.030 2
628 58 58 ARG HG3 H 1.840 0.030 2
629 58 58 ARG HD2 H 3.056 0.030 2
630 58 58 ARG HD3 H 3.153 0.030 2
631 58 58 ARG HE H 7.152 0.030 1
632 58 58 ARG C C 178.827 0.300 1
633 58 58 ARG CA C 60.092 0.300 1
634 58 58 ARG CB C 30.753 0.300 1
635 58 58 ARG CG C 29.203 0.300 1
636 58 58 ARG CD C 44.215 0.300 1
637 58 58 ARG N N 116.168 0.300 1
638 58 58 ARG NE N 85.110 0.300 1
639 59 59 THR H H 8.428 0.030 1
640 59 59 THR HA H 3.782 0.030 1
641 59 59 THR HB H 4.252 0.030 1
642 59 59 THR HG2 H 1.151 0.030 1
643 59 59 THR C C 177.612 0.300 1
644 59 59 THR CA C 66.812 0.300 1
645 59 59 THR CB C 68.468 0.300 1
646 59 59 THR CG2 C 21.459 0.300 1
647 59 59 THR N N 118.830 0.300 1
648 60 60 LEU H H 8.269 0.030 1
649 60 60 LEU HA H 3.894 0.030 1
650 60 60 LEU HB2 H 1.702 0.030 2
651 60 60 LEU HB3 H 1.079 0.030 2
652 60 60 LEU HG H 1.735 0.030 1
653 60 60 LEU HD1 H 0.857 0.030 1
654 60 60 LEU HD2 H 0.917 0.030 1
655 60 60 LEU C C 177.321 0.300 1
656 60 60 LEU CA C 57.921 0.300 1
657 60 60 LEU CB C 41.897 0.300 1
658 60 60 LEU CG C 27.691 0.300 1
659 60 60 LEU CD1 C 23.001 0.300 2
660 60 60 LEU CD2 C 26.891 0.300 2
661 60 60 LEU N N 123.686 0.300 1
662 61 61 ALA H H 7.579 0.030 1
663 61 61 ALA HA H 2.319 0.030 1
664 61 61 ALA HB H 0.918 0.030 1
665 61 61 ALA C C 177.170 0.300 1
666 61 61 ALA CA C 51.640 0.300 1
667 61 61 ALA CB C 18.310 0.300 1
668 61 61 ALA N N 116.033 0.300 1
669 62 62 GLY H H 7.368 0.030 1
670 62 62 GLY HA2 H 3.746 0.030 2
671 62 62 GLY HA3 H 3.689 0.030 2
672 62 62 GLY C C 174.228 0.300 1
673 62 62 GLY CA C 46.131 0.300 1
674 62 62 GLY N N 106.764 0.300 1
675 63 63 ASN H H 7.107 0.030 1
676 63 63 ASN HA H 5.149 0.030 1
677 63 63 ASN HB2 H 2.786 0.030 2
678 63 63 ASN HB3 H 2.578 0.030 2
679 63 63 ASN HD21 H 7.960 0.030 2
680 63 63 ASN HD22 H 7.166 0.030 2
681 63 63 ASN C C 173.711 0.300 1
682 63 63 ASN CA C 49.428 0.300 1
683 63 63 ASN CB C 40.664 0.300 1
684 63 63 ASN N N 112.436 0.300 1
685 63 63 ASN ND2 N 111.770 0.300 1
686 64 64 PRO HA H 4.296 0.030 1
687 64 64 PRO HB2 H 2.375 0.030 2
688 64 64 PRO HB3 H 1.963 0.030 2
689 64 64 PRO HG2 H 1.950 0.030 2
690 64 64 PRO HG3 H 2.000 0.030 2
691 64 64 PRO HD2 H 3.714 0.030 2
692 64 64 PRO HD3 H 3.906 0.030 2
693 64 64 PRO C C 176.079 0.300 1
694 64 64 PRO CA C 64.116 0.300 1
695 64 64 PRO CB C 32.753 0.300 1
696 64 64 PRO CG C 26.916 0.300 1
697 64 64 PRO CD C 51.430 0.300 1
698 65 65 LYS H H 7.763 0.030 1
699 65 65 LYS HA H 4.393 0.030 1
700 65 65 LYS HB2 H 2.032 0.030 2
701 65 65 LYS HB3 H 1.640 0.030 2
702 65 65 LYS HG2 H 1.315 0.030 2
703 65 65 LYS HG3 H 1.378 0.030 2
704 65 65 LYS HD2 H 1.671 0.030 1
705 65 65 LYS HD3 H 1.671 0.030 1
706 65 65 LYS HE2 H 2.987 0.030 1
707 65 65 LYS HE3 H 2.987 0.030 1
708 65 65 LYS C C 176.781 0.300 1
709 65 65 LYS CA C 54.348 0.300 1
710 65 65 LYS CB C 32.319 0.300 1
711 65 65 LYS CG C 25.143 0.300 1
712 65 65 LYS CD C 28.936 0.300 1
713 65 65 LYS CE C 42.130 0.300 1
714 65 65 LYS N N 114.657 0.300 1
715 66 66 ALA H H 7.418 0.030 1
716 66 66 ALA HA H 4.143 0.030 1
717 66 66 ALA HB H 1.325 0.030 1
718 66 66 ALA C C 176.641 0.300 1
719 66 66 ALA CA C 53.561 0.300 1
720 66 66 ALA CB C 18.740 0.300 1
721 66 66 ALA N N 122.439 0.300 1
722 67 67 THR H H 8.627 0.030 1
723 67 67 THR HA H 4.877 0.030 1
724 67 67 THR HB H 4.281 0.030 1
725 67 67 THR HG2 H 1.317 0.030 1
726 67 67 THR C C 171.696 0.300 1
727 67 67 THR CA C 58.370 0.300 1
728 67 67 THR CB C 70.131 0.300 1
729 67 67 THR CG2 C 21.717 0.300 1
730 67 67 THR N N 113.633 0.300 1
731 68 68 PRO HA H 4.476 0.030 1
732 68 68 PRO HB2 H 2.159 0.030 2
733 68 68 PRO HB3 H 2.567 0.030 2
734 68 68 PRO HG2 H 1.777 0.030 2
735 68 68 PRO HG3 H 1.992 0.030 2
736 68 68 PRO HD2 H 3.717 0.030 2
737 68 68 PRO HD3 H 3.732 0.030 2
738 68 68 PRO CA C 62.245 0.300 1
739 68 68 PRO CB C 31.008 0.300 1
740 68 68 PRO CG C 28.351 0.300 1
741 68 68 PRO CD C 51.042 0.300 1
742 69 69 PRO HA H 5.486 0.030 1
743 69 69 PRO HB2 H 1.763 0.030 2
744 69 69 PRO HB3 H 2.142 0.030 2
745 69 69 PRO HG2 H 2.049 0.030 2
746 69 69 PRO HG3 H 1.730 0.030 2
747 69 69 PRO HD2 H 3.367 0.030 2
748 69 69 PRO HD3 H 4.223 0.030 2
749 69 69 PRO C C 175.982 0.300 1
750 69 69 PRO CA C 61.064 0.300 1
751 69 69 PRO CB C 34.823 0.300 1
752 69 69 PRO CG C 24.860 0.300 1
753 69 69 PRO CD C 50.284 0.300 1
754 70 70 GLN H H 7.785 0.030 1
755 70 70 GLN HA H 5.074 0.030 1
756 70 70 GLN HB2 H 1.617 0.030 2
757 70 70 GLN HB3 H 1.905 0.030 2
758 70 70 GLN HG2 H 2.451 0.030 2
759 70 70 GLN HG3 H 2.554 0.030 2
760 70 70 GLN HE21 H 8.180 0.030 2
761 70 70 GLN HE22 H 7.404 0.030 2
762 70 70 GLN C C 174.822 0.300 1
763 70 70 GLN CA C 54.297 0.300 1
764 70 70 GLN CB C 32.237 0.300 1
765 70 70 GLN CG C 32.113 0.300 1
766 70 70 GLN N N 116.122 0.300 1
767 70 70 GLN NE2 N 111.622 0.300 1
768 71 71 ILE H H 8.993 0.030 1
769 71 71 ILE HA H 5.123 0.030 1
770 71 71 ILE HB H 1.711 0.030 1
771 71 71 ILE HG12 H 1.483 0.030 2
772 71 71 ILE HG13 H 0.982 0.030 2
773 71 71 ILE HG2 H 0.872 0.030 1
774 71 71 ILE HD1 H 0.773 0.030 1
775 71 71 ILE C C 174.623 0.300 1
776 71 71 ILE CA C 62.267 0.300 1
777 71 71 ILE CB C 40.793 0.300 1
778 71 71 ILE CG1 C 29.562 0.300 1
779 71 71 ILE CG2 C 19.612 0.300 1
780 71 71 ILE CD1 C 15.565 0.300 1
781 71 71 ILE N N 123.144 0.300 1
782 72 72 VAL H H 9.013 0.030 1
783 72 72 VAL HA H 4.848 0.030 1
784 72 72 VAL HB H 2.164 0.030 1
785 72 72 VAL HG1 H 1.070 0.030 1
786 72 72 VAL HG2 H 1.185 0.030 1
787 72 72 VAL C C 172.683 0.300 1
788 72 72 VAL CA C 60.281 0.300 1
789 72 72 VAL CB C 36.730 0.300 1
790 72 72 VAL CG1 C 21.796 0.300 2
791 72 72 VAL CG2 C 22.003 0.300 2
792 72 72 VAL N N 125.950 0.300 1
793 73 73 ASN H H 9.158 0.030 1
794 73 73 ASN HA H 5.112 0.030 1
795 73 73 ASN HB2 H 2.868 0.030 2
796 73 73 ASN HB3 H 2.379 0.030 2
797 73 73 ASN HD21 H 6.596 0.030 2
798 73 73 ASN HD22 H 8.083 0.030 2
799 73 73 ASN C C 177.117 0.300 1
800 73 73 ASN CA C 51.842 0.300 1
801 73 73 ASN CB C 39.007 0.300 1
802 73 73 ASN N N 122.899 0.300 1
803 73 73 ASN ND2 N 109.813 0.300 1
804 74 74 GLY H H 8.598 0.030 1
805 74 74 GLY HA2 H 3.675 0.030 2
806 74 74 GLY HA3 H 4.069 0.030 2
807 74 74 GLY C C 173.650 0.300 1
808 74 74 GLY CA C 47.823 0.300 1
809 74 74 GLY N N 115.257 0.300 1
810 75 75 ASN H H 8.781 0.030 1
811 75 75 ASN HA H 4.814 0.030 1
812 75 75 ASN HB2 H 2.670 0.030 2
813 75 75 ASN HB3 H 2.830 0.030 2
814 75 75 ASN HD21 H 7.505 0.030 2
815 75 75 ASN HD22 H 6.838 0.030 2
816 75 75 ASN C C 174.175 0.300 1
817 75 75 ASN CA C 52.486 0.300 1
818 75 75 ASN CB C 38.846 0.300 1
819 75 75 ASN N N 124.968 0.300 1
820 75 75 ASN ND2 N 111.941 0.300 1
821 76 76 HIS H H 8.365 0.030 1
822 76 76 HIS HA H 4.735 0.030 1
823 76 76 HIS HB2 H 3.301 0.030 2
824 76 76 HIS HB3 H 3.145 0.030 2
825 76 76 HIS HD2 H 7.094 0.030 1
826 76 76 HIS HE1 H 8.037 0.030 1
827 76 76 HIS C C 173.970 0.300 1
828 76 76 HIS CA C 55.453 0.300 1
829 76 76 HIS CB C 31.214 0.300 1
830 76 76 HIS CD2 C 120.297 0.300 1
831 76 76 HIS CE1 C 138.286 0.300 1
832 76 76 HIS N N 119.609 0.300 1
833 77 77 TYR H H 8.992 0.030 1
834 77 77 TYR HA H 4.393 0.030 1
835 77 77 TYR HB2 H 3.014 0.030 2
836 77 77 TYR HB3 H 2.787 0.030 2
837 77 77 TYR HD1 H 6.922 0.030 1
838 77 77 TYR HD2 H 6.922 0.030 1
839 77 77 TYR HE1 H 7.068 0.030 1
840 77 77 TYR HE2 H 7.068 0.030 1
841 77 77 TYR C C 174.414 0.300 1
842 77 77 TYR CA C 58.388 0.300 1
843 77 77 TYR CB C 38.550 0.300 1
844 77 77 TYR CD1 C 132.591 0.300 1
845 77 77 TYR CD2 C 132.591 0.300 1
846 77 77 TYR CE1 C 118.175 0.300 1
847 77 77 TYR CE2 C 118.175 0.300 1
848 77 77 TYR N N 128.057 0.300 1
849 78 78 CYS H H 8.296 0.030 1
850 78 78 CYS HA H 4.103 0.030 1
851 78 78 CYS HB2 H 2.045 0.030 2
852 78 78 CYS HB3 H 1.653 0.030 2
853 78 78 CYS C C 173.722 0.300 1
854 78 78 CYS CA C 59.801 0.300 1
855 78 78 CYS CB C 27.059 0.300 1
856 78 78 CYS N N 126.452 0.300 1
857 79 79 GLY H H 6.711 0.030 1
858 79 79 GLY HA2 H 4.301 0.030 2
859 79 79 GLY HA3 H 3.524 0.030 2
860 79 79 GLY C C 168.671 0.300 1
861 79 79 GLY CA C 46.192 0.300 1
862 79 79 GLY N N 101.568 0.300 1
863 80 80 ASP H H 7.285 0.030 1
864 80 80 ASP HA H 4.982 0.030 1
865 80 80 ASP HB2 H 3.876 0.030 2
866 80 80 ASP HB3 H 3.101 0.030 2
867 80 80 ASP C C 175.520 0.300 1
868 80 80 ASP CA C 51.411 0.300 1
869 80 80 ASP CB C 42.536 0.300 1
870 80 80 ASP N N 119.357 0.300 1
871 81 81 TYR H H 8.996 0.030 1
872 81 81 TYR HA H 3.834 0.030 1
873 81 81 TYR HB2 H 2.894 0.030 2
874 81 81 TYR HB3 H 2.951 0.030 2
875 81 81 TYR HD1 H 6.852 0.030 1
876 81 81 TYR HD2 H 6.852 0.030 1
877 81 81 TYR HE1 H 6.797 0.030 1
878 81 81 TYR HE2 H 6.797 0.030 1
879 81 81 TYR C C 175.912 0.300 1
880 81 81 TYR CA C 63.173 0.300 1
881 81 81 TYR CB C 39.406 0.300 1
882 81 81 TYR CD1 C 133.144 0.300 3
883 81 81 TYR CD2 C 133.088 0.300 3
884 81 81 TYR CE1 C 118.675 0.300 3
885 81 81 TYR CE2 C 118.602 0.300 3
886 81 81 TYR N N 117.937 0.300 1
887 82 82 GLU H H 8.100 0.030 1
888 82 82 GLU HA H 3.672 0.030 1
889 82 82 GLU HB2 H 2.062 0.030 2
890 82 82 GLU HB3 H 2.163 0.030 2
891 82 82 GLU HG2 H 2.331 0.030 2
892 82 82 GLU HG3 H 2.454 0.030 2
893 82 82 GLU C C 179.838 0.300 1
894 82 82 GLU CA C 59.956 0.300 1
895 82 82 GLU CB C 29.188 0.300 1
896 82 82 GLU CG C 36.994 0.300 1
897 82 82 GLU N N 116.444 0.300 1
898 83 83 LEU H H 7.948 0.030 1
899 83 83 LEU HA H 4.042 0.030 1
900 83 83 LEU HB2 H 1.743 0.030 2
901 83 83 LEU HB3 H 1.843 0.030 2
902 83 83 LEU HG H 2.065 0.030 1
903 83 83 LEU HD1 H 1.019 0.030 1
904 83 83 LEU HD2 H 1.209 0.030 1
905 83 83 LEU C C 178.575 0.300 1
906 83 83 LEU CA C 57.433 0.300 1
907 83 83 LEU CB C 42.697 0.300 1
908 83 83 LEU CG C 27.108 0.300 1
909 83 83 LEU CD1 C 23.048 0.300 2
910 83 83 LEU CD2 C 26.093 0.300 2
911 83 83 LEU N N 119.081 0.300 1
912 84 84 PHE H H 8.254 0.030 1
913 84 84 PHE HA H 2.859 0.030 1
914 84 84 PHE HB2 H 2.741 0.030 2
915 84 84 PHE HB3 H 3.207 0.030 2
916 84 84 PHE HD1 H 6.872 0.030 1
917 84 84 PHE HD2 H 6.872 0.030 1
918 84 84 PHE HE1 H 7.085 0.030 1
919 84 84 PHE HE2 H 7.085 0.030 1
920 84 84 PHE HZ H 7.066 0.030 1
921 84 84 PHE C C 175.911 0.300 1
922 84 84 PHE CA C 60.976 0.300 1
923 84 84 PHE CB C 38.615 0.300 1
924 84 84 PHE CD1 C 132.026 0.300 1
925 84 84 PHE CD2 C 132.026 0.300 1
926 84 84 PHE CE1 C 130.691 0.300 1
927 84 84 PHE CE2 C 130.691 0.300 1
928 84 84 PHE CZ C 129.391 0.300 1
929 84 84 PHE N N 122.783 0.300 1
930 85 85 VAL H H 8.369 0.030 1
931 85 85 VAL HA H 3.158 0.030 1
932 85 85 VAL HB H 1.769 0.030 1
933 85 85 VAL HG1 H 0.549 0.030 1
934 85 85 VAL HG2 H 0.704 0.030 1
935 85 85 VAL C C 178.598 0.300 1
936 85 85 VAL CA C 66.578 0.300 1
937 85 85 VAL CB C 31.165 0.300 1
938 85 85 VAL CG1 C 22.211 0.300 2
939 85 85 VAL CG2 C 21.670 0.300 2
940 85 85 VAL N N 117.485 0.300 1
941 86 86 GLU H H 7.242 0.030 1
942 86 86 GLU HA H 3.935 0.030 1
943 86 86 GLU HB2 H 1.940 0.030 1
944 86 86 GLU HB3 H 1.940 0.030 1
945 86 86 GLU HG2 H 2.014 0.030 2
946 86 86 GLU HG3 H 2.263 0.030 2
947 86 86 GLU C C 177.392 0.300 1
948 86 86 GLU CA C 59.415 0.300 1
949 86 86 GLU CB C 29.572 0.300 1
950 86 86 GLU CG C 36.449 0.300 1
951 86 86 GLU N N 120.327 0.300 1
952 87 87 ALA H H 7.171 0.030 1
953 87 87 ALA HA H 3.936 0.030 1
954 87 87 ALA HB H 0.838 0.030 1
955 87 87 ALA C C 180.259 0.300 1
956 87 87 ALA CA C 54.193 0.300 1
957 87 87 ALA CB C 18.260 0.300 1
958 87 87 ALA N N 121.486 0.300 1
959 88 88 VAL H H 7.835 0.030 1
960 88 88 VAL HA H 3.338 0.030 1
961 88 88 VAL HB H 1.984 0.030 1
962 88 88 VAL HG1 H 0.395 0.030 1
963 88 88 VAL HG2 H 0.804 0.030 1
964 88 88 VAL C C 180.460 0.300 1
965 88 88 VAL CA C 66.523 0.300 1
966 88 88 VAL CB C 31.255 0.300 1
967 88 88 VAL CG1 C 24.222 0.300 2
968 88 88 VAL CG2 C 21.048 0.300 2
969 88 88 VAL N N 118.053 0.300 1
970 89 89 GLU H H 8.227 0.030 1
971 89 89 GLU HA H 3.910 0.030 1
972 89 89 GLU HB2 H 2.020 0.030 2
973 89 89 GLU HB3 H 2.108 0.030 2
974 89 89 GLU HG2 H 2.365 0.030 2
975 89 89 GLU HG3 H 2.211 0.030 2
976 89 89 GLU C C 178.681 0.300 1
977 89 89 GLU CA C 59.427 0.300 1
978 89 89 GLU CB C 29.517 0.300 1
979 89 89 GLU CG C 36.370 0.300 1
980 89 89 GLU N N 120.984 0.300 1
981 90 90 GLN H H 8.096 0.030 1
982 90 90 GLN HA H 4.188 0.030 1
983 90 90 GLN HB2 H 1.971 0.030 2
984 90 90 GLN HB3 H 2.233 0.030 2
985 90 90 GLN HG2 H 2.531 0.030 2
986 90 90 GLN HG3 H 2.442 0.030 2
987 90 90 GLN HE21 H 7.507 0.030 2
988 90 90 GLN HE22 H 6.769 0.030 2
989 90 90 GLN C C 175.124 0.300 1
990 90 90 GLN CA C 55.614 0.300 1
991 90 90 GLN CB C 28.821 0.300 1
992 90 90 GLN CG C 34.065 0.300 1
993 90 90 GLN N N 115.426 0.300 1
994 90 90 GLN NE2 N 112.189 0.300 1
995 91 91 ASP H H 7.903 0.030 1
996 91 91 ASP HA H 4.454 0.030 1
997 91 91 ASP HB2 H 3.366 0.030 2
998 91 91 ASP HB3 H 2.395 0.030 2
999 91 91 ASP C C 176.037 0.300 1
1000 91 91 ASP CA C 55.038 0.300 1
1001 91 91 ASP CB C 39.935 0.300 1
1002 91 91 ASP N N 119.205 0.300 1
1003 92 92 THR H H 8.834 0.030 1
1004 92 92 THR HA H 4.850 0.030 1
1005 92 92 THR HB H 4.665 0.030 1
1006 92 92 THR HG2 H 1.046 0.030 1
1007 92 92 THR C C 175.932 0.300 1
1008 92 92 THR CA C 60.001 0.300 1
1009 92 92 THR CB C 67.908 0.300 1
1010 92 92 THR CG2 C 21.378 0.300 1
1011 92 92 THR N N 109.391 0.300 1
1012 93 93 LEU H H 7.926 0.030 1
1013 93 93 LEU HA H 3.883 0.030 1
1014 93 93 LEU HB2 H 1.642 0.030 2
1015 93 93 LEU HB3 H 1.252 0.030 2
1016 93 93 LEU HG H 1.484 0.030 1
1017 93 93 LEU HD1 H 0.607 0.030 1
1018 93 93 LEU HD2 H 0.644 0.030 1
1019 93 93 LEU C C 178.000 0.300 1
1020 93 93 LEU CA C 58.524 0.300 1
1021 93 93 LEU CB C 42.320 0.300 1
1022 93 93 LEU CG C 26.619 0.300 1
1023 93 93 LEU CD1 C 23.901 0.300 2
1024 93 93 LEU CD2 C 25.011 0.300 2
1025 93 93 LEU N N 122.951 0.300 1
1026 94 94 GLN H H 8.606 0.030 1
1027 94 94 GLN HA H 3.774 0.030 1
1028 94 94 GLN HB2 H 2.042 0.030 2
1029 94 94 GLN HB3 H 1.989 0.030 2
1030 94 94 GLN HG2 H 2.376 0.030 1
1031 94 94 GLN HG3 H 2.376 0.030 1
1032 94 94 GLN HE21 H 6.657 0.030 2
1033 94 94 GLN HE22 H 7.526 0.030 2
1034 94 94 GLN C C 173.657 0.300 1
1035 94 94 GLN CA C 60.430 0.300 1
1036 94 94 GLN CB C 27.689 0.300 1
1037 94 94 GLN CG C 34.341 0.300 1
1038 94 94 GLN N N 115.945 0.300 1
1039 94 94 GLN NE2 N 110.846 0.300 1
1040 95 95 GLU H H 8.307 0.030 1
1041 95 95 GLU HA H 4.141 0.030 1
1042 95 95 GLU HB2 H 2.031 0.030 2
1043 95 95 GLU HB3 H 2.168 0.030 2
1044 95 95 GLU HG2 H 2.217 0.030 2
1045 95 95 GLU HG3 H 2.400 0.030 2
1046 95 95 GLU C C 180.102 0.300 1
1047 95 95 GLU CA C 59.535 0.300 1
1048 95 95 GLU CB C 29.072 0.300 1
1049 95 95 GLU CG C 37.002 0.300 1
1050 95 95 GLU N N 119.233 0.300 1
1051 96 96 PHE H H 8.614 0.030 1
1052 96 96 PHE HA H 4.181 0.030 1
1053 96 96 PHE HB2 H 3.029 0.030 2
1054 96 96 PHE HB3 H 3.483 0.030 2
1055 96 96 PHE HD1 H 7.130 0.030 1
1056 96 96 PHE HD2 H 7.130 0.030 1
1057 96 96 PHE HE1 H 6.719 0.030 1
1058 96 96 PHE HE2 H 6.719 0.030 1
1059 96 96 PHE HZ H 7.126 0.030 1
1060 96 96 PHE C C 176.949 0.300 1
1061 96 96 PHE CA C 61.443 0.300 1
1062 96 96 PHE CB C 39.978 0.300 1
1063 96 96 PHE CD1 C 131.875 0.300 1
1064 96 96 PHE CD2 C 131.875 0.300 1
1065 96 96 PHE CE1 C 127.223 0.300 1
1066 96 96 PHE CE2 C 127.223 0.300 1
1067 96 96 PHE CZ C 130.971 0.300 1
1068 96 96 PHE N N 123.518 0.300 1
1069 97 97 LEU H H 8.132 0.030 1
1070 97 97 LEU HA H 4.211 0.030 1
1071 97 97 LEU HB2 H 1.744 0.030 2
1072 97 97 LEU HB3 H 1.782 0.030 2
1073 97 97 LEU HG H 2.263 0.030 1
1074 97 97 LEU HD1 H 1.020 0.030 1
1075 97 97 LEU HD2 H 0.928 0.030 1
1076 97 97 LEU C C 174.271 0.300 1
1077 97 97 LEU CA C 54.810 0.300 1
1078 97 97 LEU CB C 42.184 0.300 1
1079 97 97 LEU CG C 26.827 0.300 1
1080 97 97 LEU CD1 C 22.990 0.300 2
1081 97 97 LEU CD2 C 27.774 0.300 2
1082 97 97 LEU N N 114.390 0.300 1
1083 98 98 LYS H H 7.740 0.030 1
1084 98 98 LYS HA H 3.938 0.030 1
1085 98 98 LYS HB2 H 1.837 0.030 2
1086 98 98 LYS HB3 H 1.821 0.030 2
1087 98 98 LYS HG2 H 1.231 0.030 2
1088 98 98 LYS HG3 H 1.072 0.030 2
1089 98 98 LYS HD2 H 1.493 0.030 2
1090 98 98 LYS HD3 H 1.340 0.030 2
1091 98 98 LYS HE2 H 2.703 0.030 2
1092 98 98 LYS HE3 H 2.739 0.030 2
1093 98 98 LYS C C 175.866 0.300 1
1094 98 98 LYS CA C 56.018 0.300 1
1095 98 98 LYS CB C 28.578 0.300 1
1096 98 98 LYS CG C 24.866 0.300 1
1097 98 98 LYS CD C 28.231 0.300 1
1098 98 98 LYS CE C 42.366 0.300 1
1099 98 98 LYS N N 113.270 0.300 1
1100 99 99 LEU H H 7.997 0.030 1
1101 99 99 LEU HA H 4.333 0.030 1
1102 99 99 LEU HB2 H 1.609 0.030 1
1103 99 99 LEU HB3 H 1.609 0.030 1
1104 99 99 LEU HG H 1.605 0.030 1
1105 99 99 LEU HD1 H 0.875 0.030 1
1106 99 99 LEU HD2 H 0.962 0.030 1
1107 99 99 LEU C C 176.519 0.300 1
1108 99 99 LEU CA C 54.673 0.300 1
1109 99 99 LEU CB C 42.859 0.300 1
1110 99 99 LEU CG C 26.312 0.300 1
1111 99 99 LEU CD1 C 22.471 0.300 2
1112 99 99 LEU CD2 C 26.139 0.300 2
1113 99 99 LEU N N 116.680 0.300 1
1114 100 100 ALA H H 7.577 0.030 1
1115 100 100 ALA HA H 4.077 0.030 1
1116 100 100 ALA HB H 1.238 0.030 1
1117 100 100 ALA C C 181.950 0.300 1
1118 100 100 ALA CA C 53.428 0.300 1
1119 100 100 ALA CB C 20.800 0.300 1
1120 100 100 ALA N N 128.770 0.300 1
stop_
save_