data_11143
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the CH domain from human MICAL-3 protein
;
_BMRB_accession_number 11143
_BMRB_flat_file_name bmr11143.str
_Entry_type original
_Submission_date 2010-03-31
_Accession_date 2010-03-31
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 678
"13C chemical shifts" 509
"15N chemical shifts" 119
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-04-01 original author .
stop_
_Original_release_date 2011-04-01
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the CH domain from human MICAL-3 protein'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Protein MICAL-3'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CH 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 'CH domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 121
_Mol_residue_sequence
;
GSSGSSGVARSSKLLGWCQR
QTDGYAGVNVTDLTMSWKSG
LALCAIIHRYRPDLIDFDSL
DEQNVEKNNQLAFDIAEKEL
GISPIMTGKEMASVGEPDKL
SMVMYLTQFYEMFKDSGPSS
G
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 VAL 9 ALA 10 ARG
11 SER 12 SER 13 LYS 14 LEU 15 LEU
16 GLY 17 TRP 18 CYS 19 GLN 20 ARG
21 GLN 22 THR 23 ASP 24 GLY 25 TYR
26 ALA 27 GLY 28 VAL 29 ASN 30 VAL
31 THR 32 ASP 33 LEU 34 THR 35 MET
36 SER 37 TRP 38 LYS 39 SER 40 GLY
41 LEU 42 ALA 43 LEU 44 CYS 45 ALA
46 ILE 47 ILE 48 HIS 49 ARG 50 TYR
51 ARG 52 PRO 53 ASP 54 LEU 55 ILE
56 ASP 57 PHE 58 ASP 59 SER 60 LEU
61 ASP 62 GLU 63 GLN 64 ASN 65 VAL
66 GLU 67 LYS 68 ASN 69 ASN 70 GLN
71 LEU 72 ALA 73 PHE 74 ASP 75 ILE
76 ALA 77 GLU 78 LYS 79 GLU 80 LEU
81 GLY 82 ILE 83 SER 84 PRO 85 ILE
86 MET 87 THR 88 GLY 89 LYS 90 GLU
91 MET 92 ALA 93 SER 94 VAL 95 GLY
96 GLU 97 PRO 98 ASP 99 LYS 100 LEU
101 SER 102 MET 103 VAL 104 MET 105 TYR
106 LEU 107 THR 108 GLN 109 PHE 110 TYR
111 GLU 112 MET 113 PHE 114 LYS 115 ASP
116 SER 117 GLY 118 PRO 119 SER 120 SER
121 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-13
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 2D88 "Solution Structure Of The Ch Domain From Human Mical-3 Protein" 100.00 121 100.00 100.00 2.81e-83
DBJ BAA92602 "KIAA1364 protein [Homo sapiens]" 93.39 811 99.12 99.12 1.22e-70
DBJ BAG10388 "MICAL-3 protein [synthetic construct]" 93.39 1918 99.12 99.12 4.71e-70
GB AAI57877 "MICAL3 protein [Homo sapiens]" 93.39 1073 99.12 99.12 1.33e-69
GB AAI71887 "Microtubule associated monoxygenase, calponin and LIM domain containing 3 [Homo sapiens]" 93.39 1073 99.12 99.12 1.33e-69
GB EFB16615 "hypothetical protein PANDA_016463, partial [Ailuropoda melanoleuca]" 93.39 964 97.35 99.12 1.07e-68
GB EGW04922 "Protein MICAL-3 [Cricetulus griseus]" 93.39 1989 97.35 97.35 9.05e-68
GB EHB13700 "Protein MICAL-3 [Heterocephalus glaber]" 93.39 1899 97.35 98.23 1.20e-67
REF NP_001129476 "protein-methionine sulfoxide oxidase MICAL3 isoform 2 [Homo sapiens]" 93.39 1073 99.12 99.12 1.33e-69
REF NP_056056 "protein-methionine sulfoxide oxidase MICAL3 isoform 1 [Homo sapiens]" 93.39 2002 99.12 99.12 4.85e-70
REF XP_002722588 "PREDICTED: protein-methionine sulfoxide oxidase MICAL3 isoform X16 [Oryctolagus cuniculus]" 93.39 2006 97.35 99.12 5.60e-69
REF XP_002926775 "PREDICTED: protein-methionine sulfoxide oxidase MICAL3 isoform X1 [Ailuropoda melanoleuca]" 93.39 2016 97.35 99.12 1.69e-68
REF XP_003278377 "PREDICTED: protein-methionine sulfoxide oxidase MICAL3 isoform X2 [Nomascus leucogenys]" 93.39 2002 99.12 99.12 5.00e-70
SP Q7RTP6 "RecName: Full=Protein-methionine sulfoxide oxidase MICAL3; AltName: Full=Molecule interacting with CasL protein 3; Short=MICAL-" 93.39 2002 99.12 99.12 4.85e-70
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'cell free synthesis' . Escherichia coli . P050627-23
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.12mM CH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.12 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 3.5
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 0.932
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$XWINNMR
$NMRPipe
$NMRview
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'CH domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 GLY HA2 H 3.752 0.030 1
2 1 1 GLY HA3 H 3.752 0.030 1
3 1 1 GLY CA C 41.391 0.300 1
4 7 7 GLY HA2 H 3.868 0.030 1
5 7 7 GLY HA3 H 3.868 0.030 1
6 7 7 GLY C C 172.353 0.300 1
7 7 7 GLY CA C 43.392 0.300 1
8 8 8 VAL H H 7.868 0.030 1
9 8 8 VAL HA H 3.927 0.030 1
10 8 8 VAL HB H 1.961 0.030 1
11 8 8 VAL HG1 H 0.836 0.030 1
12 8 8 VAL HG2 H 0.836 0.030 1
13 8 8 VAL C C 174.320 0.300 1
14 8 8 VAL CA C 60.732 0.300 1
15 8 8 VAL CB C 30.130 0.300 1
16 8 8 VAL CG1 C 18.560 0.300 1
17 8 8 VAL CG2 C 18.560 0.300 1
18 8 8 VAL N N 119.532 0.300 1
19 9 9 ALA H H 8.250 0.030 1
20 9 9 ALA HA H 4.181 0.030 1
21 9 9 ALA HB H 1.316 0.030 1
22 9 9 ALA C C 176.333 0.300 1
23 9 9 ALA CA C 50.963 0.300 1
24 9 9 ALA CB C 16.470 0.300 1
25 9 9 ALA N N 126.489 0.300 1
26 10 10 ARG HA H 4.101 0.030 1
27 10 10 ARG HB2 H 1.725 0.030 2
28 10 10 ARG HB3 H 1.774 0.030 2
29 10 10 ARG HD2 H 3.082 0.030 1
30 10 10 ARG HD3 H 3.082 0.030 1
31 10 10 ARG HG2 H 1.595 0.030 2
32 10 10 ARG HG3 H 1.498 0.030 2
33 10 10 ARG CA C 55.219 0.300 1
34 10 10 ARG CB C 27.951 0.300 1
35 10 10 ARG CD C 41.033 0.300 1
36 10 10 ARG CG C 24.954 0.300 1
37 11 11 SER HA H 4.218 0.030 1
38 11 11 SER HB2 H 3.871 0.030 2
39 11 11 SER CA C 58.139 0.300 1
40 12 12 SER HA H 4.119 0.030 1
41 12 12 SER HB2 H 3.751 0.030 2
42 12 12 SER HB3 H 3.806 0.030 2
43 12 12 SER CA C 57.991 0.300 1
44 12 12 SER CB C 60.573 0.300 1
45 13 13 LYS HA H 4.062 0.030 1
46 13 13 LYS HB2 H 1.747 0.030 1
47 13 13 LYS HB3 H 1.747 0.030 1
48 13 13 LYS HD2 H 1.597 0.030 1
49 13 13 LYS HD3 H 1.597 0.030 1
50 13 13 LYS HE2 H 2.877 0.030 1
51 13 13 LYS HE3 H 2.877 0.030 1
52 13 13 LYS HG2 H 1.272 0.030 2
53 13 13 LYS HG3 H 1.432 0.030 2
54 13 13 LYS C C 176.451 0.300 1
55 13 13 LYS CA C 56.524 0.300 1
56 13 13 LYS CB C 29.790 0.300 1
57 13 13 LYS CD C 27.018 0.300 1
58 13 13 LYS CE C 39.889 0.300 1
59 13 13 LYS CG C 22.758 0.300 1
60 14 14 LEU H H 7.726 0.030 1
61 14 14 LEU HA H 3.692 0.030 1
62 14 14 LEU HB2 H 1.683 0.030 2
63 14 14 LEU HB3 H 1.245 0.030 2
64 14 14 LEU HD1 H 0.570 0.030 1
65 14 14 LEU HD2 H 0.783 0.030 1
66 14 14 LEU HG H 1.309 0.030 1
67 14 14 LEU C C 176.303 0.300 1
68 14 14 LEU CA C 55.493 0.300 1
69 14 14 LEU CB C 39.793 0.300 1
70 14 14 LEU CD1 C 20.983 0.300 2
71 14 14 LEU CD2 C 24.717 0.300 2
72 14 14 LEU CG C 24.729 0.300 1
73 14 14 LEU N N 120.855 0.300 1
74 15 15 LEU H H 8.351 0.030 1
75 15 15 LEU HA H 3.921 0.030 1
76 15 15 LEU HB2 H 1.847 0.030 2
77 15 15 LEU HB3 H 1.302 0.030 2
78 15 15 LEU HD1 H 0.603 0.030 1
79 15 15 LEU HD2 H 0.739 0.030 1
80 15 15 LEU HG H 1.255 0.030 1
81 15 15 LEU C C 176.055 0.300 1
82 15 15 LEU CA C 56.704 0.300 1
83 15 15 LEU CB C 38.741 0.300 1
84 15 15 LEU CD1 C 21.412 0.300 2
85 15 15 LEU CD2 C 23.776 0.300 2
86 15 15 LEU CG C 24.395 0.300 1
87 15 15 LEU N N 119.892 0.300 1
88 16 16 GLY H H 8.082 0.030 1
89 16 16 GLY HA2 H 3.967 0.030 2
90 16 16 GLY HA3 H 3.876 0.030 2
91 16 16 GLY C C 174.029 0.300 1
92 16 16 GLY CA C 44.897 0.300 1
93 16 16 GLY N N 104.190 0.300 1
94 17 17 TRP H H 8.152 0.030 1
95 17 17 TRP HA H 4.270 0.030 1
96 17 17 TRP HB2 H 3.527 0.030 2
97 17 17 TRP HB3 H 3.349 0.030 2
98 17 17 TRP HD1 H 7.573 0.030 1
99 17 17 TRP HE1 H 10.246 0.030 1
100 17 17 TRP HE3 H 7.935 0.030 1
101 17 17 TRP HH2 H 6.944 0.030 1
102 17 17 TRP HZ2 H 7.220 0.030 1
103 17 17 TRP HZ3 H 6.940 0.030 1
104 17 17 TRP C C 176.325 0.300 1
105 17 17 TRP CA C 60.719 0.300 1
106 17 17 TRP CB C 26.265 0.300 1
107 17 17 TRP CD1 C 125.334 0.300 1
108 17 17 TRP CE3 C 119.639 0.300 1
109 17 17 TRP CH2 C 118.758 0.300 1
110 17 17 TRP CZ2 C 112.772 0.300 1
111 17 17 TRP CZ3 C 121.261 0.300 1
112 17 17 TRP N N 122.802 0.300 1
113 17 17 TRP NE1 N 130.303 0.300 1
114 18 18 CYS H H 8.821 0.030 1
115 18 18 CYS HA H 3.719 0.030 1
116 18 18 CYS HB2 H 3.528 0.030 2
117 18 18 CYS HB3 H 2.791 0.030 2
118 18 18 CYS C C 175.953 0.300 1
119 18 18 CYS CA C 62.360 0.300 1
120 18 18 CYS CB C 25.655 0.300 1
121 18 18 CYS N N 116.878 0.300 1
122 19 19 GLN H H 8.622 0.030 1
123 19 19 GLN HA H 3.576 0.030 1
124 19 19 GLN HB2 H 2.334 0.030 2
125 19 19 GLN HB3 H 1.871 0.030 2
126 19 19 GLN HE21 H 7.260 0.030 2
127 19 19 GLN HE22 H 6.756 0.030 2
128 19 19 GLN HG2 H 2.472 0.030 2
129 19 19 GLN HG3 H 2.353 0.030 2
130 19 19 GLN C C 175.274 0.300 1
131 19 19 GLN CA C 57.387 0.300 1
132 19 19 GLN CB C 25.827 0.300 1
133 19 19 GLN CG C 32.029 0.300 1
134 19 19 GLN N N 119.314 0.300 1
135 19 19 GLN NE2 N 109.456 0.300 1
136 20 20 ARG H H 7.940 0.030 1
137 20 20 ARG HA H 3.983 0.030 1
138 20 20 ARG HB2 H 1.829 0.030 2
139 20 20 ARG HB3 H 1.699 0.030 2
140 20 20 ARG HD2 H 3.179 0.030 2
141 20 20 ARG HD3 H 3.149 0.030 2
142 20 20 ARG HG2 H 1.526 0.030 2
143 20 20 ARG HG3 H 1.702 0.030 2
144 20 20 ARG C C 177.167 0.300 1
145 20 20 ARG CA C 56.743 0.300 1
146 20 20 ARG CB C 27.497 0.300 1
147 20 20 ARG CD C 40.931 0.300 1
148 20 20 ARG CG C 25.100 0.300 1
149 20 20 ARG N N 118.400 0.300 1
150 21 21 GLN H H 7.842 0.030 1
151 21 21 GLN HA H 4.023 0.030 1
152 21 21 GLN HB2 H 1.705 0.030 2
153 21 21 GLN HB3 H 1.131 0.030 2
154 21 21 GLN HE21 H 6.780 0.030 2
155 21 21 GLN HE22 H 5.656 0.030 2
156 21 21 GLN HG2 H 1.520 0.030 2
157 21 21 GLN HG3 H 1.190 0.030 2
158 21 21 GLN C C 175.227 0.300 1
159 21 21 GLN CA C 53.512 0.300 1
160 21 21 GLN CB C 25.140 0.300 1
161 21 21 GLN CG C 28.046 0.300 1
162 21 21 GLN N N 112.537 0.300 1
163 21 21 GLN NE2 N 111.707 0.300 1
164 22 22 THR H H 7.003 0.030 1
165 22 22 THR HA H 3.977 0.030 1
166 22 22 THR HB H 4.114 0.030 1
167 22 22 THR HG2 H 0.840 0.030 1
168 22 22 THR C C 172.081 0.300 1
169 22 22 THR CA C 59.133 0.300 1
170 22 22 THR CB C 67.279 0.300 1
171 22 22 THR CG2 C 19.542 0.300 1
172 22 22 THR N N 103.358 0.300 1
173 23 23 ASP H H 6.918 0.030 1
174 23 23 ASP HA H 4.243 0.030 1
175 23 23 ASP HB2 H 2.671 0.030 2
176 23 23 ASP HB3 H 2.405 0.030 2
177 23 23 ASP C C 174.564 0.300 1
178 23 23 ASP CA C 54.037 0.300 1
179 23 23 ASP CB C 39.364 0.300 1
180 23 23 ASP N N 123.449 0.300 1
181 24 24 GLY H H 8.447 0.030 1
182 24 24 GLY HA2 H 3.937 0.030 2
183 24 24 GLY HA3 H 3.446 0.030 2
184 24 24 GLY C C 172.267 0.300 1
185 24 24 GLY CA C 43.006 0.300 1
186 24 24 GLY N N 112.782 0.300 1
187 25 25 TYR H H 7.520 0.030 1
188 25 25 TYR HA H 3.821 0.030 1
189 25 25 TYR HB2 H 2.493 0.030 2
190 25 25 TYR HB3 H 1.970 0.030 2
191 25 25 TYR HD1 H 5.599 0.030 1
192 25 25 TYR HD2 H 5.599 0.030 1
193 25 25 TYR HE1 H 6.204 0.030 1
194 25 25 TYR HE2 H 6.204 0.030 1
195 25 25 TYR C C 173.775 0.300 1
196 25 25 TYR CA C 56.691 0.300 1
197 25 25 TYR CB C 34.740 0.300 1
198 25 25 TYR CD1 C 129.866 0.300 1
199 25 25 TYR CD2 C 129.866 0.300 1
200 25 25 TYR CE1 C 114.961 0.300 1
201 25 25 TYR CE2 C 114.961 0.300 1
202 25 25 TYR N N 120.231 0.300 1
203 26 26 ALA H H 8.760 0.030 1
204 26 26 ALA HA H 4.005 0.030 1
205 26 26 ALA HB H 1.348 0.030 1
206 26 26 ALA C C 175.909 0.300 1
207 26 26 ALA CA C 51.085 0.300 1
208 26 26 ALA CB C 16.079 0.300 1
209 26 26 ALA N N 129.208 0.300 1
210 27 27 GLY H H 8.478 0.030 1
211 27 27 GLY HA2 H 3.884 0.030 2
212 27 27 GLY HA3 H 3.523 0.030 2
213 27 27 GLY C C 171.151 0.300 1
214 27 27 GLY CA C 43.055 0.300 1
215 27 27 GLY N N 108.088 0.300 1
216 28 28 VAL H H 7.358 0.030 1
217 28 28 VAL HA H 3.748 0.030 1
218 28 28 VAL HB H 1.830 0.030 1
219 28 28 VAL HG1 H 0.588 0.030 1
220 28 28 VAL HG2 H 0.541 0.030 1
221 28 28 VAL C C 172.254 0.300 1
222 28 28 VAL CA C 59.392 0.300 1
223 28 28 VAL CB C 30.546 0.300 1
224 28 28 VAL CG1 C 20.080 0.300 2
225 28 28 VAL CG2 C 20.341 0.300 2
226 28 28 VAL N N 119.590 0.300 1
227 29 29 ASN H H 8.457 0.030 1
228 29 29 ASN HA H 4.567 0.030 1
229 29 29 ASN HB2 H 2.534 0.030 2
230 29 29 ASN HB3 H 2.485 0.030 2
231 29 29 ASN HD21 H 6.566 0.030 2
232 29 29 ASN HD22 H 7.344 0.030 2
233 29 29 ASN C C 171.019 0.300 1
234 29 29 ASN CA C 50.448 0.300 1
235 29 29 ASN CB C 36.761 0.300 1
236 29 29 ASN N N 125.107 0.300 1
237 29 29 ASN ND2 N 111.178 0.300 1
238 30 30 VAL H H 9.125 0.030 1
239 30 30 VAL HA H 3.588 0.030 1
240 30 30 VAL HB H 1.656 0.030 1
241 30 30 VAL HG1 H 0.903 0.030 1
242 30 30 VAL HG2 H 0.146 0.030 1
243 30 30 VAL C C 173.859 0.300 1
244 30 30 VAL CA C 61.527 0.300 1
245 30 30 VAL CB C 28.934 0.300 1
246 30 30 VAL CG1 C 20.041 0.300 2
247 30 30 VAL CG2 C 19.890 0.300 2
248 30 30 VAL N N 124.767 0.300 1
249 31 31 THR H H 8.164 0.030 1
250 31 31 THR HA H 4.215 0.030 1
251 31 31 THR HB H 4.302 0.030 1
252 31 31 THR HG2 H 0.896 0.030 1
253 31 31 THR C C 170.822 0.300 1
254 31 31 THR CA C 58.566 0.300 1
255 31 31 THR CB C 67.792 0.300 1
256 31 31 THR CG2 C 19.088 0.300 1
257 31 31 THR N N 118.028 0.300 1
258 32 32 ASP H H 7.959 0.030 1
259 32 32 ASP HA H 4.463 0.030 1
260 32 32 ASP HB2 H 3.210 0.030 2
261 32 32 ASP HB3 H 2.939 0.030 2
262 32 32 ASP C C 172.488 0.300 1
263 32 32 ASP CA C 51.067 0.300 1
264 32 32 ASP CB C 39.852 0.300 1
265 32 32 ASP N N 120.419 0.300 1
266 33 33 LEU H H 8.556 0.030 1
267 33 33 LEU HA H 4.735 0.030 1
268 33 33 LEU HB2 H 1.661 0.030 2
269 33 33 LEU HB3 H 1.457 0.030 2
270 33 33 LEU HD1 H 0.819 0.030 1
271 33 33 LEU HD2 H 0.671 0.030 1
272 33 33 LEU HG H 1.529 0.030 1
273 33 33 LEU C C 171.643 0.300 1
274 33 33 LEU CA C 51.978 0.300 1
275 33 33 LEU CB C 39.648 0.300 1
276 33 33 LEU CD1 C 24.369 0.300 2
277 33 33 LEU CD2 C 21.032 0.300 2
278 33 33 LEU CG C 24.660 0.300 1
279 33 33 LEU N N 116.372 0.300 1
280 34 34 THR H H 8.056 0.030 1
281 34 34 THR HA H 4.415 0.030 1
282 34 34 THR HB H 4.151 0.030 1
283 34 34 THR HG2 H 0.933 0.030 1
284 34 34 THR C C 172.902 0.300 1
285 34 34 THR CA C 57.988 0.300 1
286 34 34 THR CB C 67.999 0.300 1
287 34 34 THR CG2 C 21.308 0.300 1
288 34 34 THR N N 103.576 0.300 1
289 35 35 MET H H 8.944 0.030 1
290 35 35 MET HA H 4.201 0.030 1
291 35 35 MET HB2 H 2.457 0.030 2
292 35 35 MET HB3 H 2.159 0.030 2
293 35 35 MET HE H 2.104 0.030 1
294 35 35 MET HG2 H 2.611 0.030 2
295 35 35 MET HG3 H 2.796 0.030 2
296 35 35 MET C C 177.533 0.300 1
297 35 35 MET CA C 55.338 0.300 1
298 35 35 MET CB C 28.703 0.300 1
299 35 35 MET CE C 14.334 0.300 1
300 35 35 MET CG C 29.757 0.300 1
301 35 35 MET N N 123.060 0.300 1
302 36 36 SER H H 11.069 0.030 1
303 36 36 SER HA H 4.242 0.030 1
304 36 36 SER HB2 H 3.846 0.030 2
305 36 36 SER HB3 H 3.694 0.030 2
306 36 36 SER C C 171.523 0.300 1
307 36 36 SER CA C 59.123 0.300 1
308 36 36 SER CB C 61.219 0.300 1
309 36 36 SER N N 118.208 0.300 1
310 37 37 TRP H H 8.029 0.030 1
311 37 37 TRP HA H 4.215 0.030 1
312 37 37 TRP HB2 H 3.484 0.030 2
313 37 37 TRP HB3 H 2.996 0.030 2
314 37 37 TRP HD1 H 6.821 0.030 1
315 37 37 TRP HE1 H 10.293 0.030 1
316 37 37 TRP HE3 H 7.709 0.030 1
317 37 37 TRP HH2 H 6.674 0.030 1
318 37 37 TRP HZ2 H 7.034 0.030 1
319 37 37 TRP HZ3 H 6.378 0.030 1
320 37 37 TRP C C 174.433 0.300 1
321 37 37 TRP CA C 55.221 0.300 1
322 37 37 TRP CB C 26.868 0.300 1
323 37 37 TRP CD1 C 125.133 0.300 1
324 37 37 TRP CE3 C 119.060 0.300 1
325 37 37 TRP CH2 C 119.900 0.300 1
326 37 37 TRP CZ2 C 111.796 0.300 1
327 37 37 TRP CZ3 C 119.400 0.300 1
328 37 37 TRP N N 121.277 0.300 1
329 37 37 TRP NE1 N 127.723 0.300 1
330 38 38 LYS H H 7.481 0.030 1
331 38 38 LYS HA H 4.381 0.030 1
332 38 38 LYS HB2 H 1.947 0.030 2
333 38 38 LYS HB3 H 1.748 0.030 2
334 38 38 LYS HD2 H 1.819 0.030 2
335 38 38 LYS HD3 H 1.715 0.030 2
336 38 38 LYS HE2 H 3.003 0.030 2
337 38 38 LYS HE3 H 3.107 0.030 2
338 38 38 LYS HG2 H 1.474 0.030 2
339 38 38 LYS HG3 H 1.708 0.030 2
340 38 38 LYS C C 175.699 0.300 1
341 38 38 LYS CA C 57.328 0.300 1
342 38 38 LYS CB C 30.175 0.300 1
343 38 38 LYS CD C 27.282 0.300 1
344 38 38 LYS CE C 39.777 0.300 1
345 38 38 LYS CG C 23.249 0.300 1
346 38 38 LYS N N 121.736 0.300 1
347 39 39 SER H H 8.580 0.030 1
348 39 39 SER HA H 4.199 0.030 1
349 39 39 SER HB2 H 3.973 0.030 2
350 39 39 SER HB3 H 4.112 0.030 2
351 39 39 SER C C 172.036 0.300 1
352 39 39 SER CA C 57.325 0.300 1
353 39 39 SER CB C 62.270 0.300 1
354 39 39 SER N N 109.948 0.300 1
355 40 40 GLY H H 7.391 0.030 1
356 40 40 GLY HA2 H 3.817 0.030 2
357 40 40 GLY HA3 H 3.737 0.030 2
358 40 40 GLY C C 171.405 0.300 1
359 40 40 GLY CA C 43.516 0.300 1
360 40 40 GLY N N 108.694 0.300 1
361 41 41 LEU H H 7.162 0.030 1
362 41 41 LEU HA H 3.745 0.030 1
363 41 41 LEU HB2 H 1.420 0.030 2
364 41 41 LEU HB3 H 1.226 0.030 2
365 41 41 LEU HD1 H 0.717 0.030 1
366 41 41 LEU HD2 H 0.365 0.030 1
367 41 41 LEU HG H 1.480 0.030 1
368 41 41 LEU C C 175.833 0.300 1
369 41 41 LEU CA C 55.191 0.300 1
370 41 41 LEU CB C 40.560 0.300 1
371 41 41 LEU CD1 C 23.279 0.300 2
372 41 41 LEU CD2 C 20.564 0.300 2
373 41 41 LEU CG C 24.359 0.300 1
374 41 41 LEU N N 116.973 0.300 1
375 42 42 ALA H H 8.405 0.030 1
376 42 42 ALA HA H 3.474 0.030 1
377 42 42 ALA HB H 0.208 0.030 1
378 42 42 ALA C C 175.856 0.300 1
379 42 42 ALA CA C 53.263 0.300 1
380 42 42 ALA CB C 15.068 0.300 1
381 42 42 ALA N N 121.176 0.300 1
382 43 43 LEU H H 9.021 0.030 1
383 43 43 LEU HA H 4.158 0.030 1
384 43 43 LEU HB2 H 1.764 0.030 2
385 43 43 LEU HB3 H 1.594 0.030 2
386 43 43 LEU HD1 H 0.181 0.030 1
387 43 43 LEU HD2 H 1.092 0.030 1
388 43 43 LEU HG H 1.489 0.030 1
389 43 43 LEU C C 176.979 0.300 1
390 43 43 LEU CA C 54.994 0.300 1
391 43 43 LEU CB C 39.857 0.300 1
392 43 43 LEU CD1 C 19.314 0.300 2
393 43 43 LEU CD2 C 24.433 0.300 2
394 43 43 LEU CG C 24.528 0.300 1
395 43 43 LEU N N 118.314 0.300 1
396 44 44 CYS H H 7.420 0.030 1
397 44 44 CYS HA H 3.859 0.030 1
398 44 44 CYS HB2 H 3.085 0.030 2
399 44 44 CYS HB3 H 2.277 0.030 2
400 44 44 CYS C C 173.882 0.300 1
401 44 44 CYS CA C 63.217 0.300 1
402 44 44 CYS CB C 25.019 0.300 1
403 44 44 CYS N N 114.799 0.300 1
404 45 45 ALA H H 8.220 0.030 1
405 45 45 ALA HA H 3.082 0.030 1
406 45 45 ALA HB H 0.246 0.030 1
407 45 45 ALA C C 175.246 0.300 1
408 45 45 ALA CA C 52.925 0.300 1
409 45 45 ALA CB C 14.976 0.300 1
410 45 45 ALA N N 121.558 0.300 1
411 46 46 ILE H H 7.400 0.030 1
412 46 46 ILE HA H 3.188 0.030 1
413 46 46 ILE HB H 2.035 0.030 1
414 46 46 ILE HD1 H 0.801 0.030 1
415 46 46 ILE HG12 H 1.632 0.030 2
416 46 46 ILE HG13 H 1.034 0.030 2
417 46 46 ILE HG2 H 0.946 0.030 1
418 46 46 ILE C C 174.522 0.300 1
419 46 46 ILE CA C 62.499 0.300 1
420 46 46 ILE CB C 34.515 0.300 1
421 46 46 ILE CD1 C 10.211 0.300 1
422 46 46 ILE CG1 C 26.818 0.300 1
423 46 46 ILE CG2 C 14.662 0.300 1
424 46 46 ILE N N 116.461 0.300 1
425 47 47 ILE H H 7.690 0.030 1
426 47 47 ILE HA H 3.461 0.030 1
427 47 47 ILE HB H 1.816 0.030 1
428 47 47 ILE HD1 H 1.011 0.030 1
429 47 47 ILE HG12 H 0.869 0.030 2
430 47 47 ILE HG13 H 2.085 0.030 2
431 47 47 ILE HG2 H 0.908 0.030 1
432 47 47 ILE C C 174.456 0.300 1
433 47 47 ILE CA C 64.219 0.300 1
434 47 47 ILE CB C 35.866 0.300 1
435 47 47 ILE CD1 C 12.490 0.300 1
436 47 47 ILE CG1 C 27.964 0.300 1
437 47 47 ILE CG2 C 15.651 0.300 1
438 47 47 ILE N N 115.076 0.300 1
439 48 48 HIS H H 8.447 0.030 1
440 48 48 HIS HA H 3.587 0.030 1
441 48 48 HIS HB2 H 3.031 0.030 2
442 48 48 HIS HB3 H 3.074 0.030 2
443 48 48 HIS HD2 H 8.045 0.030 1
444 48 48 HIS HE1 H 7.610 0.030 1
445 48 48 HIS C C 173.430 0.300 1
446 48 48 HIS CA C 59.255 0.300 1
447 48 48 HIS CB C 28.901 0.300 1
448 48 48 HIS CD2 C 115.430 0.300 1
449 48 48 HIS CE1 C 135.338 0.300 1
450 48 48 HIS N N 119.575 0.300 1
451 49 49 ARG H H 8.390 0.030 1
452 49 49 ARG HA H 3.542 0.030 1
453 49 49 ARG HB2 H 1.856 0.030 2
454 49 49 ARG HB3 H 1.557 0.030 2
455 49 49 ARG HD2 H 2.869 0.030 1
456 49 49 ARG HD3 H 2.869 0.030 1
457 49 49 ARG HE H 7.201 0.030 1
458 49 49 ARG HG2 H 0.944 0.030 2
459 49 49 ARG HG3 H 0.726 0.030 2
460 49 49 ARG C C 175.269 0.300 1
461 49 49 ARG CA C 55.890 0.300 1
462 49 49 ARG CB C 26.144 0.300 1
463 49 49 ARG CD C 40.461 0.300 1
464 49 49 ARG CG C 24.034 0.300 1
465 49 49 ARG N N 118.018 0.300 1
466 49 49 ARG NE N 84.741 0.300 1
467 50 50 TYR H H 6.682 0.030 1
468 50 50 TYR HA H 4.081 0.030 1
469 50 50 TYR HB2 H 2.457 0.030 2
470 50 50 TYR HB3 H 1.433 0.030 2
471 50 50 TYR HD1 H 6.982 0.030 1
472 50 50 TYR HD2 H 6.982 0.030 1
473 50 50 TYR HE1 H 6.528 0.030 1
474 50 50 TYR HE2 H 6.528 0.030 1
475 50 50 TYR C C 173.968 0.300 1
476 50 50 TYR CA C 58.035 0.300 1
477 50 50 TYR CB C 38.311 0.300 1
478 50 50 TYR CD1 C 130.950 0.300 1
479 50 50 TYR CD2 C 130.950 0.300 1
480 50 50 TYR CE1 C 115.673 0.300 1
481 50 50 TYR CE2 C 115.673 0.300 1
482 50 50 TYR N N 112.938 0.300 1
483 51 51 ARG H H 9.142 0.030 1
484 51 51 ARG HA H 4.768 0.030 1
485 51 51 ARG HB2 H 1.820 0.030 1
486 51 51 ARG HB3 H 1.820 0.030 1
487 51 51 ARG HD2 H 3.461 0.030 1
488 51 51 ARG HD3 H 3.461 0.030 1
489 51 51 ARG HE H 8.682 0.030 1
490 51 51 ARG HG2 H 1.277 0.030 2
491 51 51 ARG HG3 H 1.668 0.030 2
492 51 51 ARG C C 170.310 0.300 1
493 51 51 ARG CA C 48.308 0.300 1
494 51 51 ARG CB C 26.644 0.300 1
495 51 51 ARG CD C 37.483 0.300 1
496 51 51 ARG CG C 22.524 0.300 1
497 51 51 ARG N N 120.173 0.300 1
498 51 51 ARG NE N 81.018 0.300 1
499 52 52 PRO HA H 4.384 0.030 1
500 52 52 PRO HB2 H 1.818 0.030 2
501 52 52 PRO HB3 H 1.600 0.030 2
502 52 52 PRO HD2 H 3.159 0.030 2
503 52 52 PRO HD3 H 3.544 0.030 2
504 52 52 PRO HG2 H 1.774 0.030 1
505 52 52 PRO HG3 H 1.774 0.030 1
506 52 52 PRO C C 174.152 0.300 1
507 52 52 PRO CA C 62.518 0.300 1
508 52 52 PRO CB C 28.237 0.300 1
509 52 52 PRO CD C 47.507 0.300 1
510 52 52 PRO CG C 24.581 0.300 1
511 53 53 ASP H H 8.957 0.030 1
512 53 53 ASP HA H 4.250 0.030 1
513 53 53 ASP HB2 H 2.562 0.030 2
514 53 53 ASP HB3 H 2.516 0.030 2
515 53 53 ASP C C 174.529 0.300 1
516 53 53 ASP CA C 52.375 0.300 1
517 53 53 ASP CB C 37.181 0.300 1
518 53 53 ASP N N 114.004 0.300 1
519 54 54 LEU H H 7.995 0.030 1
520 54 54 LEU HA H 4.327 0.030 1
521 54 54 LEU HB2 H 1.901 0.030 2
522 54 54 LEU HB3 H 1.393 0.030 2
523 54 54 LEU HD1 H 0.671 0.030 1
524 54 54 LEU HD2 H 0.711 0.030 1
525 54 54 LEU HG H 1.585 0.030 1
526 54 54 LEU C C 173.986 0.300 1
527 54 54 LEU CA C 52.782 0.300 1
528 54 54 LEU CB C 41.059 0.300 1
529 54 54 LEU CD1 C 22.961 0.300 2
530 54 54 LEU CD2 C 20.019 0.300 2
531 54 54 LEU CG C 24.089 0.300 1
532 54 54 LEU N N 116.730 0.300 1
533 55 55 ILE H H 7.005 0.030 1
534 55 55 ILE HA H 4.241 0.030 1
535 55 55 ILE HB H 1.627 0.030 1
536 55 55 ILE HD1 H 0.884 0.030 1
537 55 55 ILE HG12 H 1.541 0.030 2
538 55 55 ILE HG13 H 0.878 0.030 2
539 55 55 ILE HG2 H 0.880 0.030 1
540 55 55 ILE C C 169.053 0.300 1
541 55 55 ILE CA C 57.494 0.300 1
542 55 55 ILE CB C 40.100 0.300 1
543 55 55 ILE CD1 C 12.087 0.300 1
544 55 55 ILE CG1 C 26.451 0.300 1
545 55 55 ILE CG2 C 13.252 0.300 1
546 55 55 ILE N N 115.115 0.300 1
547 56 56 ASP H H 8.346 0.030 1
548 56 56 ASP HA H 4.961 0.030 1
549 56 56 ASP HB2 H 2.703 0.030 2
550 56 56 ASP HB3 H 2.493 0.030 2
551 56 56 ASP C C 174.311 0.300 1
552 56 56 ASP CA C 49.267 0.300 1
553 56 56 ASP CB C 37.876 0.300 1
554 56 56 ASP N N 124.641 0.300 1
555 57 57 PHE H H 7.029 0.030 1
556 57 57 PHE HA H 3.494 0.030 1
557 57 57 PHE HB2 H 2.269 0.030 2
558 57 57 PHE HB3 H 2.399 0.030 2
559 57 57 PHE HD1 H 6.721 0.030 1
560 57 57 PHE HD2 H 6.721 0.030 1
561 57 57 PHE HE1 H 7.399 0.030 1
562 57 57 PHE HE2 H 7.399 0.030 1
563 57 57 PHE HZ H 7.301 0.030 1
564 57 57 PHE C C 174.498 0.300 1
565 57 57 PHE CA C 59.574 0.300 1
566 57 57 PHE CB C 37.160 0.300 1
567 57 57 PHE CD1 C 129.415 0.300 1
568 57 57 PHE CD2 C 129.415 0.300 1
569 57 57 PHE CE1 C 129.884 0.300 1
570 57 57 PHE CE2 C 129.884 0.300 1
571 57 57 PHE CZ C 128.344 0.300 1
572 57 57 PHE N N 126.072 0.300 1
573 58 58 ASP H H 8.489 0.030 1
574 58 58 ASP HA H 4.203 0.030 1
575 58 58 ASP HB2 H 2.610 0.030 1
576 58 58 ASP HB3 H 2.610 0.030 1
577 58 58 ASP C C 174.216 0.300 1
578 58 58 ASP CA C 54.325 0.300 1
579 58 58 ASP CB C 37.914 0.300 1
580 58 58 ASP N N 117.317 0.300 1
581 59 59 SER H H 7.148 0.030 1
582 59 59 SER HA H 4.212 0.030 1
583 59 59 SER HB2 H 3.711 0.030 2
584 59 59 SER HB3 H 3.781 0.030 2
585 59 59 SER C C 172.183 0.300 1
586 59 59 SER CA C 56.608 0.300 1
587 59 59 SER CB C 61.704 0.300 1
588 59 59 SER N N 111.647 0.300 1
589 60 60 LEU H H 7.067 0.030 1
590 60 60 LEU HA H 4.046 0.030 1
591 60 60 LEU HB2 H 1.117 0.030 2
592 60 60 LEU HB3 H 0.694 0.030 2
593 60 60 LEU HD1 H 0.332 0.030 1
594 60 60 LEU HD2 H 0.478 0.030 1
595 60 60 LEU HG H 1.488 0.030 1
596 60 60 LEU C C 173.908 0.300 1
597 60 60 LEU CA C 52.430 0.300 1
598 60 60 LEU CB C 38.620 0.300 1
599 60 60 LEU CD1 C 24.827 0.300 2
600 60 60 LEU CD2 C 18.832 0.300 2
601 60 60 LEU CG C 23.428 0.300 1
602 60 60 LEU N N 121.862 0.300 1
603 61 61 ASP H H 8.874 0.030 1
604 61 61 ASP HA H 4.641 0.030 1
605 61 61 ASP HB2 H 2.750 0.030 2
606 61 61 ASP HB3 H 2.427 0.030 2
607 61 61 ASP C C 175.545 0.300 1
608 61 61 ASP CA C 49.922 0.300 1
609 61 61 ASP CB C 40.603 0.300 1
610 61 61 ASP N N 122.409 0.300 1
611 62 62 GLU H H 9.061 0.030 1
612 62 62 GLU HA H 3.768 0.030 1
613 62 62 GLU HB2 H 1.905 0.030 2
614 62 62 GLU HB3 H 1.971 0.030 2
615 62 62 GLU HG2 H 2.067 0.030 2
616 62 62 GLU HG3 H 2.164 0.030 2
617 62 62 GLU C C 174.541 0.300 1
618 62 62 GLU CA C 56.081 0.300 1
619 62 62 GLU CB C 27.312 0.300 1
620 62 62 GLU CG C 32.942 0.300 1
621 62 62 GLU N N 126.925 0.300 1
622 63 63 GLN H H 8.571 0.030 1
623 63 63 GLN HA H 4.112 0.030 1
624 63 63 GLN HB2 H 2.023 0.030 2
625 63 63 GLN HB3 H 1.901 0.030 2
626 63 63 GLN HE21 H 7.717 0.030 2
627 63 63 GLN HE22 H 6.719 0.030 2
628 63 63 GLN HG2 H 2.309 0.030 2
629 63 63 GLN HG3 H 2.242 0.030 2
630 63 63 GLN C C 175.614 0.300 1
631 63 63 GLN CA C 54.799 0.300 1
632 63 63 GLN CB C 26.519 0.300 1
633 63 63 GLN CG C 31.724 0.300 1
634 63 63 GLN N N 116.797 0.300 1
635 63 63 GLN NE2 N 112.680 0.300 1
636 64 64 ASN H H 7.736 0.030 1
637 64 64 ASN HA H 4.920 0.030 1
638 64 64 ASN HB2 H 2.879 0.030 2
639 64 64 ASN HB3 H 2.747 0.030 2
640 64 64 ASN HD21 H 7.017 0.030 2
641 64 64 ASN HD22 H 7.978 0.030 2
642 64 64 ASN C C 172.039 0.300 1
643 64 64 ASN CA C 49.245 0.300 1
644 64 64 ASN CB C 34.177 0.300 1
645 64 64 ASN N N 120.827 0.300 1
646 64 64 ASN ND2 N 113.545 0.300 1
647 65 65 VAL H H 7.459 0.030 1
648 65 65 VAL HA H 3.724 0.030 1
649 65 65 VAL HB H 1.935 0.030 1
650 65 65 VAL HG1 H 0.898 0.030 1
651 65 65 VAL HG2 H 0.999 0.030 1
652 65 65 VAL C C 177.107 0.300 1
653 65 65 VAL CA C 64.099 0.300 1
654 65 65 VAL CB C 30.215 0.300 1
655 65 65 VAL CG1 C 19.213 0.300 2
656 65 65 VAL CG2 C 19.759 0.300 2
657 65 65 VAL N N 120.447 0.300 1
658 66 66 GLU H H 8.716 0.030 1
659 66 66 GLU HA H 3.624 0.030 1
660 66 66 GLU HB2 H 1.856 0.030 1
661 66 66 GLU HB3 H 1.856 0.030 1
662 66 66 GLU HG2 H 1.958 0.030 1
663 66 66 GLU HG3 H 1.958 0.030 1
664 66 66 GLU C C 175.547 0.300 1
665 66 66 GLU CA C 58.157 0.300 1
666 66 66 GLU CB C 26.755 0.300 1
667 66 66 GLU CG C 33.550 0.300 1
668 66 66 GLU N N 121.243 0.300 1
669 67 67 LYS H H 7.818 0.030 1
670 67 67 LYS HA H 3.840 0.030 1
671 67 67 LYS HB2 H 1.608 0.030 1
672 67 67 LYS HB3 H 1.608 0.030 1
673 67 67 LYS HD2 H 1.556 0.030 1
674 67 67 LYS HD3 H 1.556 0.030 1
675 67 67 LYS HE2 H 2.880 0.030 1
676 67 67 LYS HE3 H 2.880 0.030 1
677 67 67 LYS HG2 H 1.287 0.030 2
678 67 67 LYS HG3 H 1.400 0.030 2
679 67 67 LYS C C 176.806 0.300 1
680 67 67 LYS CA C 56.709 0.300 1
681 67 67 LYS CB C 30.627 0.300 1
682 67 67 LYS CD C 27.001 0.300 1
683 67 67 LYS CE C 39.695 0.300 1
684 67 67 LYS CG C 22.797 0.300 1
685 67 67 LYS N N 117.450 0.300 1
686 68 68 ASN H H 8.768 0.030 1
687 68 68 ASN HA H 4.244 0.030 1
688 68 68 ASN HB2 H 2.738 0.030 2
689 68 68 ASN HB3 H 2.248 0.030 2
690 68 68 ASN HD21 H 8.092 0.030 2
691 68 68 ASN HD22 H 6.297 0.030 2
692 68 68 ASN C C 174.871 0.300 1
693 68 68 ASN CA C 53.431 0.300 1
694 68 68 ASN CB C 34.250 0.300 1
695 68 68 ASN N N 118.984 0.300 1
696 68 68 ASN ND2 N 111.181 0.300 1
697 69 69 ASN H H 7.469 0.030 1
698 69 69 ASN HA H 3.721 0.030 1
699 69 69 ASN HB2 H 2.485 0.030 2
700 69 69 ASN HB3 H 1.741 0.030 2
701 69 69 ASN HD21 H 7.049 0.030 2
702 69 69 ASN HD22 H 6.800 0.030 2
703 69 69 ASN C C 172.394 0.300 1
704 69 69 ASN CA C 54.941 0.300 1
705 69 69 ASN CB C 38.293 0.300 1
706 69 69 ASN N N 115.115 0.300 1
707 69 69 ASN ND2 N 114.057 0.300 1
708 70 70 GLN H H 7.998 0.030 1
709 70 70 GLN HA H 3.490 0.030 1
710 70 70 GLN HB2 H 2.050 0.030 2
711 70 70 GLN HB3 H 2.192 0.030 2
712 70 70 GLN HE21 H 7.582 0.030 2
713 70 70 GLN HE22 H 8.689 0.030 2
714 70 70 GLN HG2 H 2.379 0.030 2
715 70 70 GLN HG3 H 2.611 0.030 2
716 70 70 GLN C C 174.450 0.300 1
717 70 70 GLN CA C 55.985 0.300 1
718 70 70 GLN CB C 27.366 0.300 1
719 70 70 GLN CG C 31.487 0.300 1
720 70 70 GLN N N 114.954 0.300 1
721 70 70 GLN NE2 N 122.054 0.300 1
722 71 71 LEU H H 8.060 0.030 1
723 71 71 LEU HA H 4.229 0.030 1
724 71 71 LEU HB2 H 1.881 0.030 2
725 71 71 LEU HB3 H 1.542 0.030 2
726 71 71 LEU HD1 H 0.946 0.030 1
727 71 71 LEU HD2 H 0.894 0.030 1
728 71 71 LEU HG H 1.473 0.030 1
729 71 71 LEU C C 175.589 0.300 1
730 71 71 LEU CA C 55.673 0.300 1
731 71 71 LEU CB C 40.121 0.300 1
732 71 71 LEU CD1 C 21.202 0.300 2
733 71 71 LEU CD2 C 24.252 0.300 2
734 71 71 LEU CG C 24.562 0.300 1
735 71 71 LEU N N 118.223 0.300 1
736 72 72 ALA H H 7.190 0.030 1
737 72 72 ALA HA H 3.799 0.030 1
738 72 72 ALA HB H 1.510 0.030 1
739 72 72 ALA C C 177.445 0.300 1
740 72 72 ALA CA C 53.347 0.300 1
741 72 72 ALA CB C 16.012 0.300 1
742 72 72 ALA N N 119.670 0.300 1
743 73 73 PHE H H 8.650 0.030 1
744 73 73 PHE HA H 4.749 0.030 1
745 73 73 PHE HB2 H 3.394 0.030 2
746 73 73 PHE HB3 H 3.216 0.030 2
747 73 73 PHE HD1 H 7.197 0.030 1
748 73 73 PHE HD2 H 7.197 0.030 1
749 73 73 PHE HE1 H 6.970 0.030 1
750 73 73 PHE HE2 H 6.970 0.030 1
751 73 73 PHE HZ H 6.970 0.030 1
752 73 73 PHE C C 177.678 0.300 1
753 73 73 PHE CA C 54.514 0.300 1
754 73 73 PHE CB C 34.834 0.300 1
755 73 73 PHE CD1 C 129.037 0.300 1
756 73 73 PHE CD2 C 129.037 0.300 1
757 73 73 PHE CE1 C 128.027 0.300 1
758 73 73 PHE CE2 C 128.027 0.300 1
759 73 73 PHE CZ C 127.448 0.300 1
760 73 73 PHE N N 114.777 0.300 1
761 74 74 ASP H H 9.255 0.030 1
762 74 74 ASP HA H 4.539 0.030 1
763 74 74 ASP HB2 H 3.127 0.030 2
764 74 74 ASP HB3 H 2.644 0.030 2
765 74 74 ASP C C 177.021 0.300 1
766 74 74 ASP CA C 55.397 0.300 1
767 74 74 ASP CB C 37.722 0.300 1
768 74 74 ASP N N 121.733 0.300 1
769 75 75 ILE H H 8.902 0.030 1
770 75 75 ILE HA H 3.791 0.030 1
771 75 75 ILE HB H 2.016 0.030 1
772 75 75 ILE HD1 H 0.858 0.030 1
773 75 75 ILE HG12 H 1.875 0.030 2
774 75 75 ILE HG13 H 1.302 0.030 2
775 75 75 ILE HG2 H 0.893 0.030 1
776 75 75 ILE C C 176.859 0.300 1
777 75 75 ILE CA C 62.548 0.300 1
778 75 75 ILE CB C 35.660 0.300 1
779 75 75 ILE CD1 C 11.606 0.300 1
780 75 75 ILE CG1 C 26.854 0.300 1
781 75 75 ILE CG2 C 17.228 0.300 1
782 75 75 ILE N N 122.651 0.300 1
783 76 76 ALA H H 8.871 0.030 1
784 76 76 ALA HA H 3.928 0.030 1
785 76 76 ALA HB H 1.819 0.030 1
786 76 76 ALA C C 176.910 0.300 1
787 76 76 ALA CA C 53.014 0.300 1
788 76 76 ALA CB C 16.558 0.300 1
789 76 76 ALA N N 121.755 0.300 1
790 77 77 GLU H H 8.382 0.030 1
791 77 77 GLU HA H 3.977 0.030 1
792 77 77 GLU HB2 H 2.268 0.030 2
793 77 77 GLU HB3 H 2.075 0.030 2
794 77 77 GLU HG2 H 2.090 0.030 2
795 77 77 GLU HG3 H 1.975 0.030 2
796 77 77 GLU C C 176.291 0.300 1
797 77 77 GLU CA C 57.201 0.300 1
798 77 77 GLU CB C 28.558 0.300 1
799 77 77 GLU CG C 33.527 0.300 1
800 77 77 GLU N N 119.002 0.300 1
801 78 78 LYS H H 8.736 0.030 1
802 78 78 LYS HA H 4.002 0.030 1
803 78 78 LYS HB2 H 1.813 0.030 2
804 78 78 LYS HB3 H 1.938 0.030 2
805 78 78 LYS HD2 H 1.611 0.030 1
806 78 78 LYS HD3 H 1.611 0.030 1
807 78 78 LYS HE2 H 2.872 0.030 1
808 78 78 LYS HE3 H 2.872 0.030 1
809 78 78 LYS HG2 H 1.497 0.030 2
810 78 78 LYS HG3 H 1.382 0.030 2
811 78 78 LYS C C 176.088 0.300 1
812 78 78 LYS CA C 56.797 0.300 1
813 78 78 LYS CB C 31.292 0.300 1
814 78 78 LYS CD C 26.754 0.300 1
815 78 78 LYS CE C 39.942 0.300 1
816 78 78 LYS CG C 23.214 0.300 1
817 78 78 LYS N N 117.416 0.300 1
818 79 79 GLU H H 8.643 0.030 1
819 79 79 GLU HA H 4.610 0.030 1
820 79 79 GLU HB2 H 2.065 0.030 2
821 79 79 GLU HB3 H 1.956 0.030 2
822 79 79 GLU HG2 H 2.363 0.030 2
823 79 79 GLU HG3 H 2.289 0.030 2
824 79 79 GLU C C 175.940 0.300 1
825 79 79 GLU CA C 53.839 0.300 1
826 79 79 GLU CB C 27.375 0.300 1
827 79 79 GLU CG C 32.431 0.300 1
828 79 79 GLU N N 113.014 0.300 1
829 80 80 LEU H H 6.909 0.030 1
830 80 80 LEU HA H 4.543 0.030 1
831 80 80 LEU HB2 H 2.220 0.030 2
832 80 80 LEU HB3 H 1.374 0.030 2
833 80 80 LEU HD1 H 0.992 0.030 1
834 80 80 LEU HD2 H 0.873 0.030 1
835 80 80 LEU HG H 1.594 0.030 1
836 80 80 LEU C C 174.432 0.300 1
837 80 80 LEU CA C 51.641 0.300 1
838 80 80 LEU CB C 38.770 0.300 1
839 80 80 LEU CD1 C 23.229 0.300 2
840 80 80 LEU CD2 C 19.814 0.300 2
841 80 80 LEU CG C 24.858 0.300 1
842 80 80 LEU N N 113.329 0.300 1
843 81 81 GLY H H 6.996 0.030 1
844 81 81 GLY HA2 H 3.811 0.030 2
845 81 81 GLY HA3 H 3.713 0.030 2
846 81 81 GLY C C 171.994 0.300 1
847 81 81 GLY CA C 44.147 0.300 1
848 81 81 GLY N N 107.067 0.300 1
849 82 82 ILE H H 8.033 0.030 1
850 82 82 ILE HA H 3.831 0.030 1
851 82 82 ILE HB H 1.008 0.030 1
852 82 82 ILE HD1 H -0.580 0.030 1
853 82 82 ILE HG12 H 0.209 0.030 2
854 82 82 ILE HG13 H 0.938 0.030 2
855 82 82 ILE HG2 H 0.323 0.030 1
856 82 82 ILE C C 172.984 0.300 1
857 82 82 ILE CA C 58.421 0.300 1
858 82 82 ILE CB C 36.588 0.300 1
859 82 82 ILE CD1 C 9.131 0.300 1
860 82 82 ILE CG1 C 24.138 0.300 1
861 82 82 ILE CG2 C 14.701 0.300 1
862 82 82 ILE N N 123.195 0.300 1
863 83 83 SER H H 8.781 0.030 1
864 83 83 SER HA H 4.280 0.030 1
865 83 83 SER HB2 H 3.840 0.030 2
866 83 83 SER HB3 H 3.681 0.030 2
867 83 83 SER C C 169.387 0.300 1
868 83 83 SER CA C 55.991 0.300 1
869 83 83 SER CB C 60.019 0.300 1
870 83 83 SER N N 126.494 0.300 1
871 84 84 PRO HA H 4.409 0.030 1
872 84 84 PRO HB2 H 2.126 0.030 2
873 84 84 PRO HB3 H 1.612 0.030 2
874 84 84 PRO HD2 H 3.424 0.030 2
875 84 84 PRO HD3 H 3.635 0.030 2
876 84 84 PRO HG2 H 1.941 0.030 2
877 84 84 PRO HG3 H 1.763 0.030 2
878 84 84 PRO C C 175.481 0.300 1
879 84 84 PRO CA C 60.971 0.300 1
880 84 84 PRO CB C 30.490 0.300 1
881 84 84 PRO CD C 48.283 0.300 1
882 84 84 PRO CG C 24.819 0.300 1
883 85 85 ILE H H 7.045 0.030 1
884 85 85 ILE HA H 4.116 0.030 1
885 85 85 ILE HB H 1.524 0.030 1
886 85 85 ILE HD1 H 0.404 0.030 1
887 85 85 ILE HG12 H -0.374 0.030 2
888 85 85 ILE HG13 H 0.527 0.030 2
889 85 85 ILE HG2 H 0.631 0.030 1
890 85 85 ILE C C 172.680 0.300 1
891 85 85 ILE CA C 58.556 0.300 1
892 85 85 ILE CB C 37.203 0.300 1
893 85 85 ILE CD1 C 12.269 0.300 1
894 85 85 ILE CG1 C 22.516 0.300 1
895 85 85 ILE CG2 C 16.030 0.300 1
896 85 85 ILE N N 110.816 0.300 1
897 86 86 MET H H 6.975 0.030 1
898 86 86 MET HA H 4.581 0.030 1
899 86 86 MET HB2 H 2.207 0.030 2
900 86 86 MET HB3 H 1.861 0.030 2
901 86 86 MET HE H 1.825 0.030 1
902 86 86 MET HG2 H 1.762 0.030 2
903 86 86 MET HG3 H 2.346 0.030 2
904 86 86 MET C C 172.096 0.300 1
905 86 86 MET CA C 52.535 0.300 1
906 86 86 MET CB C 34.139 0.300 1
907 86 86 MET CE C 15.071 0.300 1
908 86 86 MET CG C 28.010 0.300 1
909 86 86 MET N N 117.572 0.300 1
910 87 87 THR H H 8.561 0.030 1
911 87 87 THR HA H 4.882 0.030 1
912 87 87 THR HB H 4.768 0.030 1
913 87 87 THR HG2 H 1.227 0.030 1
914 87 87 THR C C 174.826 0.300 1
915 87 87 THR CA C 57.908 0.300 1
916 87 87 THR CB C 69.538 0.300 1
917 87 87 THR CG2 C 19.293 0.300 1
918 87 87 THR N N 108.449 0.300 1
919 88 88 GLY H H 9.774 0.030 1
920 88 88 GLY HA2 H 3.952 0.030 2
921 88 88 GLY HA3 H 3.705 0.030 2
922 88 88 GLY C C 173.008 0.300 1
923 88 88 GLY CA C 46.385 0.300 1
924 88 88 GLY N N 109.364 0.300 1
925 89 89 LYS H H 8.445 0.030 1
926 89 89 LYS HA H 3.776 0.030 1
927 89 89 LYS HB2 H 1.702 0.030 2
928 89 89 LYS HB3 H 1.640 0.030 2
929 89 89 LYS HD2 H 1.573 0.030 1
930 89 89 LYS HD3 H 1.573 0.030 1
931 89 89 LYS HE2 H 2.882 0.030 1
932 89 89 LYS HE3 H 2.882 0.030 1
933 89 89 LYS HG2 H 1.274 0.030 2
934 89 89 LYS HG3 H 1.352 0.030 2
935 89 89 LYS C C 176.864 0.300 1
936 89 89 LYS CA C 57.434 0.300 1
937 89 89 LYS CB C 30.224 0.300 1
938 89 89 LYS CD C 26.754 0.300 1
939 89 89 LYS CE C 39.500 0.300 1
940 89 89 LYS CG C 22.516 0.300 1
941 89 89 LYS N N 121.744 0.300 1
942 90 90 GLU H H 7.670 0.030 1
943 90 90 GLU HA H 3.859 0.030 1
944 90 90 GLU HB2 H 2.250 0.030 2
945 90 90 GLU HB3 H 1.888 0.030 2
946 90 90 GLU HG2 H 2.214 0.030 2
947 90 90 GLU HG3 H 2.143 0.030 2
948 90 90 GLU C C 176.959 0.300 1
949 90 90 GLU CA C 56.956 0.300 1
950 90 90 GLU CB C 27.472 0.300 1
951 90 90 GLU CG C 35.189 0.300 1
952 90 90 GLU N N 119.790 0.300 1
953 91 91 MET H H 8.082 0.030 1
954 91 91 MET HA H 4.355 0.030 1
955 91 91 MET HB2 H 2.206 0.030 2
956 91 91 MET HB3 H 2.048 0.030 2
957 91 91 MET HE H 2.212 0.030 1
958 91 91 MET HG2 H 2.835 0.030 1
959 91 91 MET HG3 H 2.835 0.030 1
960 91 91 MET C C 174.654 0.300 1
961 91 91 MET CA C 55.523 0.300 1
962 91 91 MET CB C 29.008 0.300 1
963 91 91 MET CE C 16.379 0.300 1
964 91 91 MET CG C 30.615 0.300 1
965 91 91 MET N N 119.504 0.300 1
966 92 92 ALA H H 7.990 0.030 1
967 92 92 ALA HA H 4.021 0.030 1
968 92 92 ALA HB H 1.345 0.030 1
969 92 92 ALA C C 176.422 0.300 1
970 92 92 ALA CA C 51.470 0.300 1
971 92 92 ALA CB C 16.598 0.300 1
972 92 92 ALA N N 116.780 0.300 1
973 93 93 SER H H 7.435 0.030 1
974 93 93 SER HA H 4.404 0.030 1
975 93 93 SER HB2 H 3.845 0.030 1
976 93 93 SER HB3 H 3.845 0.030 1
977 93 93 SER C C 172.242 0.300 1
978 93 93 SER CA C 56.639 0.300 1
979 93 93 SER CB C 62.325 0.300 1
980 93 93 SER N N 110.712 0.300 1
981 94 94 VAL H H 7.647 0.030 1
982 94 94 VAL HA H 3.997 0.030 1
983 94 94 VAL HB H 2.140 0.030 1
984 94 94 VAL HG1 H 0.844 0.030 1
985 94 94 VAL HG2 H 0.884 0.030 1
986 94 94 VAL C C 173.047 0.300 1
987 94 94 VAL CA C 59.954 0.300 1
988 94 94 VAL CB C 29.949 0.300 1
989 94 94 VAL CG1 C 18.218 0.300 2
990 94 94 VAL CG2 C 19.306 0.300 2
991 94 94 VAL N N 122.389 0.300 1
992 95 95 GLY H H 8.418 0.030 1
993 95 95 GLY HA2 H 3.820 0.030 2
994 95 95 GLY HA3 H 3.723 0.030 2
995 95 95 GLY C C 171.752 0.300 1
996 95 95 GLY CA C 44.435 0.300 1
997 95 95 GLY N N 113.706 0.300 1
998 96 96 GLU H H 7.826 0.030 1
999 96 96 GLU HA H 4.694 0.030 1
1000 96 96 GLU HB2 H 1.900 0.030 1
1001 96 96 GLU HB3 H 1.900 0.030 1
1002 96 96 GLU HG2 H 2.520 0.030 2
1003 96 96 GLU HG3 H 2.105 0.030 2
1004 96 96 GLU C C 171.185 0.300 1
1005 96 96 GLU CA C 51.067 0.300 1
1006 96 96 GLU CB C 30.216 0.300 1
1007 96 96 GLU CG C 33.558 0.300 1
1008 96 96 GLU N N 121.011 0.300 1
1009 97 97 PRO HA H 4.204 0.030 1
1010 97 97 PRO HB2 H 2.129 0.030 2
1011 97 97 PRO HB3 H 1.632 0.030 2
1012 97 97 PRO HD2 H 3.361 0.030 2
1013 97 97 PRO HD3 H 3.575 0.030 2
1014 97 97 PRO HG2 H 1.890 0.030 2
1015 97 97 PRO HG3 H 1.950 0.030 2
1016 97 97 PRO C C 172.022 0.300 1
1017 97 97 PRO CA C 60.235 0.300 1
1018 97 97 PRO CB C 30.094 0.300 1
1019 97 97 PRO CD C 48.650 0.300 1
1020 97 97 PRO CG C 25.460 0.300 1
1021 98 98 ASP H H 8.353 0.030 1
1022 98 98 ASP HA H 4.236 0.030 1
1023 98 98 ASP HB2 H 2.622 0.030 2
1024 98 98 ASP HB3 H 2.442 0.030 2
1025 98 98 ASP C C 174.017 0.300 1
1026 98 98 ASP CA C 52.561 0.300 1
1027 98 98 ASP CB C 40.489 0.300 1
1028 98 98 ASP N N 120.308 0.300 1
1029 99 99 LYS H H 8.336 0.030 1
1030 99 99 LYS HA H 3.541 0.030 1
1031 99 99 LYS HB2 H 1.680 0.030 1
1032 99 99 LYS HB3 H 1.680 0.030 1
1033 99 99 LYS HD2 H 1.575 0.030 2
1034 99 99 LYS HD3 H 1.726 0.030 2
1035 99 99 LYS HE2 H 2.814 0.030 1
1036 99 99 LYS HE3 H 2.814 0.030 1
1037 99 99 LYS HG2 H 1.207 0.030 1
1038 99 99 LYS HG3 H 1.207 0.030 1
1039 99 99 LYS C C 175.166 0.300 1
1040 99 99 LYS CA C 58.180 0.300 1
1041 99 99 LYS CB C 30.381 0.300 1
1042 99 99 LYS CD C 27.248 0.300 1
1043 99 99 LYS CE C 39.695 0.300 1
1044 99 99 LYS CG C 22.681 0.300 1
1045 99 99 LYS N N 128.173 0.300 1
1046 100 100 LEU H H 8.120 0.030 1
1047 100 100 LEU HA H 3.883 0.030 1
1048 100 100 LEU HB2 H 1.668 0.030 2
1049 100 100 LEU HB3 H 1.557 0.030 2
1050 100 100 LEU HD1 H 0.775 0.030 1
1051 100 100 LEU HD2 H 0.834 0.030 1
1052 100 100 LEU HG H 1.566 0.030 1
1053 100 100 LEU C C 177.786 0.300 1
1054 100 100 LEU CA C 56.082 0.300 1
1055 100 100 LEU CB C 38.335 0.300 1
1056 100 100 LEU CD1 C 21.601 0.300 2
1057 100 100 LEU CD2 C 21.969 0.300 2
1058 100 100 LEU CG C 24.893 0.300 1
1059 100 100 LEU N N 118.010 0.300 1
1060 101 101 SER H H 7.982 0.030 1
1061 101 101 SER HA H 4.063 0.030 1
1062 101 101 SER HB2 H 3.795 0.030 2
1063 101 101 SER HB3 H 3.629 0.030 2
1064 101 101 SER C C 173.864 0.300 1
1065 101 101 SER CA C 59.793 0.300 1
1066 101 101 SER CB C 60.155 0.300 1
1067 101 101 SER N N 115.375 0.300 1
1068 102 102 MET H H 8.023 0.030 1
1069 102 102 MET HA H 4.309 0.030 1
1070 102 102 MET HB2 H 2.141 0.030 2
1071 102 102 MET HB3 H 1.856 0.030 2
1072 102 102 MET HE H 1.631 0.030 1
1073 102 102 MET HG2 H 2.397 0.030 2
1074 102 102 MET HG3 H 2.495 0.030 2
1075 102 102 MET C C 176.890 0.300 1
1076 102 102 MET CA C 54.106 0.300 1
1077 102 102 MET CB C 27.928 0.300 1
1078 102 102 MET CE C 12.509 0.300 1
1079 102 102 MET CG C 29.866 0.300 1
1080 102 102 MET N N 120.074 0.300 1
1081 103 103 VAL H H 8.562 0.030 1
1082 103 103 VAL HA H 3.289 0.030 1
1083 103 103 VAL HB H 2.062 0.030 1
1084 103 103 VAL HG1 H 0.701 0.030 1
1085 103 103 VAL HG2 H 0.951 0.030 1
1086 103 103 VAL C C 177.544 0.300 1
1087 103 103 VAL CA C 65.042 0.300 1
1088 103 103 VAL CB C 29.255 0.300 1
1089 103 103 VAL CG1 C 18.648 0.300 2
1090 103 103 VAL CG2 C 21.891 0.300 2
1091 103 103 VAL N N 119.158 0.300 1
1092 104 104 MET H H 8.031 0.030 1
1093 104 104 MET HA H 3.994 0.030 1
1094 104 104 MET HB2 H 2.205 0.030 2
1095 104 104 MET HB3 H 2.121 0.030 2
1096 104 104 MET HE H 1.966 0.030 1
1097 104 104 MET HG2 H 2.490 0.030 2
1098 104 104 MET HG3 H 2.705 0.030 2
1099 104 104 MET C C 176.023 0.300 1
1100 104 104 MET CA C 56.728 0.300 1
1101 104 104 MET CB C 29.221 0.300 1
1102 104 104 MET CE C 14.473 0.300 1
1103 104 104 MET CG C 29.557 0.300 1
1104 104 104 MET N N 121.579 0.300 1
1105 105 105 TYR H H 8.198 0.030 1
1106 105 105 TYR HA H 4.348 0.030 1
1107 105 105 TYR HB2 H 3.111 0.030 2
1108 105 105 TYR HB3 H 2.889 0.030 2
1109 105 105 TYR HD1 H 6.840 0.030 1
1110 105 105 TYR HD2 H 6.840 0.030 1
1111 105 105 TYR HE1 H 6.853 0.030 1
1112 105 105 TYR HE2 H 6.853 0.030 1
1113 105 105 TYR C C 175.529 0.300 1
1114 105 105 TYR CA C 58.627 0.300 1
1115 105 105 TYR CB C 38.399 0.300 1
1116 105 105 TYR CD1 C 130.150 0.300 1
1117 105 105 TYR CD2 C 130.150 0.300 1
1118 105 105 TYR CE1 C 116.356 0.300 1
1119 105 105 TYR CE2 C 116.356 0.300 1
1120 105 105 TYR N N 121.773 0.300 1
1121 106 106 LEU H H 9.142 0.030 1
1122 106 106 LEU HA H 4.042 0.030 1
1123 106 106 LEU HB2 H 1.723 0.030 2
1124 106 106 LEU HB3 H 0.884 0.030 2
1125 106 106 LEU HD1 H -0.405 0.030 1
1126 106 106 LEU HD2 H -0.059 0.030 1
1127 106 106 LEU HG H 1.438 0.030 1
1128 106 106 LEU C C 178.149 0.300 1
1129 106 106 LEU CA C 55.523 0.300 1
1130 106 106 LEU CB C 40.079 0.300 1
1131 106 106 LEU CD1 C 22.075 0.300 2
1132 106 106 LEU CD2 C 18.935 0.300 2
1133 106 106 LEU CG C 24.611 0.300 1
1134 106 106 LEU N N 116.450 0.300 1
1135 107 107 THR H H 8.315 0.030 1
1136 107 107 THR HA H 4.187 0.030 1
1137 107 107 THR HB H 3.726 0.030 1
1138 107 107 THR HG2 H 1.145 0.030 1
1139 107 107 THR C C 172.695 0.300 1
1140 107 107 THR CA C 66.634 0.300 1
1141 107 107 THR CB C 65.521 0.300 1
1142 107 107 THR CG2 C 19.252 0.300 1
1143 107 107 THR N N 115.134 0.300 1
1144 108 108 GLN H H 7.366 0.030 1
1145 108 108 GLN HA H 3.767 0.030 1
1146 108 108 GLN HB2 H 1.918 0.030 2
1147 108 108 GLN HB3 H 1.659 0.030 2
1148 108 108 GLN HE21 H 7.039 0.030 2
1149 108 108 GLN HE22 H 7.423 0.030 2
1150 108 108 GLN HG2 H 2.157 0.030 2
1151 108 108 GLN HG3 H 2.453 0.030 2
1152 108 108 GLN C C 176.645 0.300 1
1153 108 108 GLN CA C 56.939 0.300 1
1154 108 108 GLN CB C 27.042 0.300 1
1155 108 108 GLN CG C 32.893 0.300 1
1156 108 108 GLN N N 117.814 0.300 1
1157 108 108 GLN NE2 N 113.199 0.300 1
1158 109 109 PHE H H 7.150 0.030 1
1159 109 109 PHE HA H 3.613 0.030 1
1160 109 109 PHE HB2 H 3.329 0.030 2
1161 109 109 PHE HB3 H 2.847 0.030 2
1162 109 109 PHE HD1 H 7.117 0.030 1
1163 109 109 PHE HD2 H 7.117 0.030 1
1164 109 109 PHE HE1 H 6.312 0.030 1
1165 109 109 PHE HE2 H 6.312 0.030 1
1166 109 109 PHE HZ H 6.975 0.030 1
1167 109 109 PHE C C 173.837 0.300 1
1168 109 109 PHE CA C 59.398 0.300 1
1169 109 109 PHE CB C 36.261 0.300 1
1170 109 109 PHE CD1 C 129.115 0.300 1
1171 109 109 PHE CD2 C 129.115 0.300 1
1172 109 109 PHE CE1 C 129.125 0.300 1
1173 109 109 PHE CE2 C 129.125 0.300 1
1174 109 109 PHE CZ C 127.792 0.300 1
1175 109 109 PHE N N 117.972 0.300 1
1176 110 110 TYR H H 7.451 0.030 1
1177 110 110 TYR HA H 2.523 0.030 1
1178 110 110 TYR HB2 H 2.137 0.030 2
1179 110 110 TYR HB3 H 2.588 0.030 2
1180 110 110 TYR HD1 H 5.846 0.030 1
1181 110 110 TYR HD2 H 5.846 0.030 1
1182 110 110 TYR HE1 H 6.298 0.030 1
1183 110 110 TYR HE2 H 6.298 0.030 1
1184 110 110 TYR C C 173.751 0.300 1
1185 110 110 TYR CA C 57.523 0.300 1
1186 110 110 TYR CB C 35.970 0.300 1
1187 110 110 TYR CD1 C 130.231 0.300 1
1188 110 110 TYR CD2 C 130.231 0.300 1
1189 110 110 TYR CE1 C 115.154 0.300 1
1190 110 110 TYR CE2 C 115.154 0.300 1
1191 110 110 TYR N N 119.801 0.300 1
1192 111 111 GLU H H 8.353 0.030 1
1193 111 111 GLU HA H 3.220 0.030 1
1194 111 111 GLU HB2 H 1.575 0.030 2
1195 111 111 GLU HB3 H 1.724 0.030 2
1196 111 111 GLU HG2 H 2.130 0.030 2
1197 111 111 GLU HG3 H 2.224 0.030 2
1198 111 111 GLU C C 175.880 0.300 1
1199 111 111 GLU CA C 56.269 0.300 1
1200 111 111 GLU CB C 26.753 0.300 1
1201 111 111 GLU CG C 34.050 0.300 1
1202 111 111 GLU N N 114.638 0.300 1
1203 112 112 MET H H 6.780 0.030 1
1204 112 112 MET HA H 3.750 0.030 1
1205 112 112 MET HB2 H 1.623 0.030 2
1206 112 112 MET HB3 H 1.256 0.030 2
1207 112 112 MET HE H 1.760 0.030 1
1208 112 112 MET HG2 H 1.090 0.030 2
1209 112 112 MET HG3 H 1.601 0.030 2
1210 112 112 MET C C 175.397 0.300 1
1211 112 112 MET CA C 55.541 0.300 1
1212 112 112 MET CB C 30.297 0.300 1
1213 112 112 MET CE C 14.237 0.300 1
1214 112 112 MET CG C 28.375 0.300 1
1215 112 112 MET N N 115.562 0.300 1
1216 113 113 PHE H H 7.425 0.030 1
1217 113 113 PHE HA H 4.738 0.030 1
1218 113 113 PHE HB2 H 2.300 0.030 2
1219 113 113 PHE HB3 H 2.052 0.030 2
1220 113 113 PHE HD1 H 7.001 0.030 1
1221 113 113 PHE HD2 H 7.001 0.030 1
1222 113 113 PHE HE1 H 7.164 0.030 1
1223 113 113 PHE HE2 H 7.164 0.030 1
1224 113 113 PHE HZ H 7.036 0.030 1
1225 113 113 PHE C C 175.380 0.300 1
1226 113 113 PHE CA C 54.887 0.300 1
1227 113 113 PHE CB C 37.133 0.300 1
1228 113 113 PHE CD1 C 129.198 0.300 1
1229 113 113 PHE CD2 C 129.198 0.300 1
1230 113 113 PHE CE1 C 127.903 0.300 1
1231 113 113 PHE CE2 C 127.903 0.300 1
1232 113 113 PHE CZ C 126.146 0.300 1
1233 113 113 PHE N N 114.720 0.300 1
1234 114 114 LYS H H 7.951 0.030 1
1235 114 114 LYS HA H 3.980 0.030 1
1236 114 114 LYS HB2 H 1.204 0.030 2
1237 114 114 LYS HB3 H 0.879 0.030 2
1238 114 114 LYS HD2 H 0.555 0.030 2
1239 114 114 LYS HD3 H 0.891 0.030 2
1240 114 114 LYS HE2 H 2.626 0.030 1
1241 114 114 LYS HE3 H 2.626 0.030 1
1242 114 114 LYS HG2 H 0.788 0.030 2
1243 114 114 LYS HG3 H 0.905 0.030 2
1244 114 114 LYS C C 174.202 0.300 1
1245 114 114 LYS CA C 56.745 0.300 1
1246 114 114 LYS CB C 28.044 0.300 1
1247 114 114 LYS CD C 26.555 0.300 1
1248 114 114 LYS CE C 39.888 0.300 1
1249 114 114 LYS CG C 20.506 0.300 1
1250 114 114 LYS N N 120.047 0.300 1
1251 115 115 ASP H H 8.182 0.030 1
1252 115 115 ASP HA H 4.876 0.030 1
1253 115 115 ASP HB2 H 2.809 0.030 2
1254 115 115 ASP HB3 H 2.425 0.030 2
1255 115 115 ASP C C 173.997 0.300 1
1256 115 115 ASP CA C 51.950 0.300 1
1257 115 115 ASP CB C 38.912 0.300 1
1258 115 115 ASP N N 119.215 0.300 1
1259 116 116 SER H H 7.944 0.030 1
1260 116 116 SER HA H 4.527 0.030 1
1261 116 116 SER HB2 H 4.084 0.030 2
1262 116 116 SER HB3 H 4.017 0.030 2
1263 116 116 SER C C 172.233 0.300 1
1264 116 116 SER CA C 56.668 0.300 1
1265 116 116 SER CB C 62.030 0.300 1
1266 116 116 SER N N 116.088 0.300 1
1267 117 117 GLY H H 8.418 0.030 1
1268 117 117 GLY HA2 H 4.068 0.030 2
1269 117 117 GLY HA3 H 4.253 0.030 2
1270 117 117 GLY C C 169.557 0.300 1
1271 117 117 GLY CA C 42.462 0.300 1
1272 117 117 GLY N N 110.493 0.300 1
1273 118 118 PRO HA H 4.383 0.030 1
1274 118 118 PRO HB2 H 2.155 0.030 2
1275 118 118 PRO HB3 H 1.866 0.030 2
1276 118 118 PRO HD2 H 3.598 0.030 1
1277 118 118 PRO HD3 H 3.598 0.030 1
1278 118 118 PRO HG2 H 1.921 0.030 1
1279 118 118 PRO HG3 H 1.921 0.030 1
1280 118 118 PRO C C 175.136 0.300 1
1281 118 118 PRO CA C 60.943 0.300 1
1282 118 118 PRO CB C 29.854 0.300 1
1283 118 118 PRO CD C 47.560 0.300 1
1284 118 118 PRO CG C 24.858 0.300 1
1285 119 119 SER H H 8.464 0.030 1
1286 119 119 SER HA H 4.434 0.030 1
1287 119 119 SER HB2 H 3.830 0.030 1
1288 119 119 SER HB3 H 3.830 0.030 1
1289 119 119 SER C C 172.403 0.300 1
1290 119 119 SER CA C 56.126 0.300 1
1291 119 119 SER CB C 61.498 0.300 1
1292 119 119 SER N N 116.003 0.300 1
1293 120 120 SER H H 8.245 0.030 1
1294 120 120 SER HA H 4.404 0.030 1
1295 120 120 SER HB2 H 3.844 0.030 1
1296 120 120 SER HB3 H 3.844 0.030 1
1297 120 120 SER C C 171.660 0.300 1
1298 120 120 SER CA C 56.143 0.300 1
1299 120 120 SER CB C 61.786 0.300 1
1300 120 120 SER N N 117.336 0.300 1
1301 121 121 GLY H H 8.022 0.030 1
1302 121 121 GLY HA2 H 3.704 0.030 1
1303 121 121 GLY HA3 H 3.704 0.030 1
1304 121 121 GLY C C 176.770 0.300 1
1305 121 121 GLY CA C 43.898 0.300 1
1306 121 121 GLY N N 116.506 0.300 1
stop_
save_