data_11122
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The solution structure of the tetratrico peptide repeat of human Smooth muscle
cell associated protein-1, isoform 2
;
_BMRB_accession_number 11122
_BMRB_flat_file_name bmr11122.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 Tochio N. . .
2 Sasagawa A. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 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" 772
"13C chemical shifts" 585
"15N chemical shifts" 144
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
;
The solution structure of the tetratrico peptide repeat of human Smooth muscle
cell associated protein-1, isoform 2
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Sasagawa A. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 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 'Smooth muscle cell associated protein-1, isoform 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'TPR, Residues 8-142' $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 'TPR, Residues 8-142'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 148
_Mol_residue_sequence
;
GSSGSSGMTVSGPGTPEPRP
ATPGASSVEQLRKEGNELFK
CGDYGGALAAYTQALGLDAT
PQDQAVLHRNRAACHLKLED
YDKAETEASKAIEKDGGDVK
ALYRRSQALEKLGRLDQAVL
DLQRCVSLEPKNKVFQEALR
NISGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 MET 9 THR 10 VAL
11 SER 12 GLY 13 PRO 14 GLY 15 THR
16 PRO 17 GLU 18 PRO 19 ARG 20 PRO
21 ALA 22 THR 23 PRO 24 GLY 25 ALA
26 SER 27 SER 28 VAL 29 GLU 30 GLN
31 LEU 32 ARG 33 LYS 34 GLU 35 GLY
36 ASN 37 GLU 38 LEU 39 PHE 40 LYS
41 CYS 42 GLY 43 ASP 44 TYR 45 GLY
46 GLY 47 ALA 48 LEU 49 ALA 50 ALA
51 TYR 52 THR 53 GLN 54 ALA 55 LEU
56 GLY 57 LEU 58 ASP 59 ALA 60 THR
61 PRO 62 GLN 63 ASP 64 GLN 65 ALA
66 VAL 67 LEU 68 HIS 69 ARG 70 ASN
71 ARG 72 ALA 73 ALA 74 CYS 75 HIS
76 LEU 77 LYS 78 LEU 79 GLU 80 ASP
81 TYR 82 ASP 83 LYS 84 ALA 85 GLU
86 THR 87 GLU 88 ALA 89 SER 90 LYS
91 ALA 92 ILE 93 GLU 94 LYS 95 ASP
96 GLY 97 GLY 98 ASP 99 VAL 100 LYS
101 ALA 102 LEU 103 TYR 104 ARG 105 ARG
106 SER 107 GLN 108 ALA 109 LEU 110 GLU
111 LYS 112 LEU 113 GLY 114 ARG 115 LEU
116 ASP 117 GLN 118 ALA 119 VAL 120 LEU
121 ASP 122 LEU 123 GLN 124 ARG 125 CYS
126 VAL 127 SER 128 LEU 129 GLU 130 PRO
131 LYS 132 ASN 133 LYS 134 VAL 135 PHE
136 GLN 137 GLU 138 ALA 139 LEU 140 ARG
141 ASN 142 ILE 143 SER 144 GLY 145 PRO
146 SER 147 SER 148 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2DBA "The Solution Structure Of The Tetratrico Peptide Repeat Of Human Smooth Muscle Cell Associated Protein-1, Isoform 2" 100.00 148 100.00 100.00 1.54e-101
DBJ BAB20266 "SMAP-1 [Homo sapiens]" 81.08 929 99.17 99.17 9.36e-73
DBJ BAB20273 "SMAP-1b [Homo sapiens]" 92.57 944 99.27 99.27 1.13e-86
DBJ BAF84311 "unnamed protein product [Homo sapiens]" 81.08 929 99.17 99.17 9.36e-73
DBJ BAG54239 "unnamed protein product [Homo sapiens]" 81.08 929 99.17 99.17 9.36e-73
DBJ BAG57020 "unnamed protein product [Homo sapiens]" 56.76 134 100.00 100.00 5.81e-53
EMBL CAH91170 "hypothetical protein [Pongo abelii]" 81.08 929 98.33 99.17 7.07e-72
GB AAH06214 "Unc-45 homolog A (C. elegans) [Homo sapiens]" 92.57 944 99.27 99.27 1.13e-86
GB AAH37992 "Unc-45 homolog A (C. elegans) [Homo sapiens]" 92.57 944 99.27 99.27 1.13e-86
GB AAH45635 "Unc-45 homolog A (C. elegans) [Homo sapiens]" 81.08 929 99.17 99.17 9.36e-73
GB ABM83879 "unc-45 homolog A (C. elegans) [synthetic construct]" 92.57 944 99.27 99.27 1.13e-86
GB ABM87199 "unc-45 homolog A (C. elegans) [synthetic construct]" 92.57 944 99.27 99.27 1.13e-86
REF NP_001034764 "protein unc-45 homolog A isoform 3 [Homo sapiens]" 81.08 929 99.17 99.17 9.36e-73
REF NP_001127383 "protein unc-45 homolog A [Pongo abelii]" 81.08 929 98.33 99.17 7.07e-72
REF NP_061141 "protein unc-45 homolog A isoform 2 [Homo sapiens]" 92.57 944 99.27 99.27 1.13e-86
REF XP_003268606 "PREDICTED: protein unc-45 homolog A [Nomascus leucogenys]" 92.57 921 98.54 99.27 1.08e-86
REF XP_003807756 "PREDICTED: protein unc-45 homolog A isoform X1 [Pan paniscus]" 92.57 944 98.54 99.27 1.79e-86
SP Q5RAP0 "RecName: Full=Protein unc-45 homolog A; Short=Unc-45A; AltName: Full=Smooth muscle cell-associated protein 1; Short=SMAP-1" 81.08 929 98.33 99.17 7.07e-72
SP Q9H3U1 "RecName: Full=Protein unc-45 homolog A; Short=Unc-45A; AltName: Full=GCUNC-45; AltName: Full=Smooth muscle cell-associated prot" 92.57 944 99.27 99.27 1.13e-86
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P050302-63
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.3mM TPRx3 domain {U-15N,13C;} 20mM {d-Tris HCl;} 100mM {NaCl;} 1mM {d-DTT;}
0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.3 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 20031121
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 900
_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 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_
_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 'TPR, Residues 8-142'
_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 8 8 MET H H 8.236 0.030 1
2 8 8 MET HA H 4.548 0.030 1
3 8 8 MET HB2 H 2.092 0.030 2
4 8 8 MET HB3 H 2.006 0.030 2
5 8 8 MET HE H 2.091 0.030 1
6 8 8 MET HG2 H 2.585 0.030 2
7 8 8 MET HG3 H 2.517 0.030 2
8 8 8 MET C C 176.400 0.300 1
9 8 8 MET CA C 55.541 0.300 1
10 8 8 MET CB C 33.110 0.300 1
11 8 8 MET CE C 16.989 0.300 1
12 8 8 MET CG C 32.020 0.300 1
13 8 8 MET N N 119.831 0.300 1
14 9 9 THR H H 8.232 0.030 1
15 9 9 THR HA H 4.378 0.030 1
16 9 9 THR HB H 4.150 0.030 1
17 9 9 THR HG2 H 1.213 0.030 1
18 9 9 THR C C 174.433 0.300 1
19 9 9 THR CA C 61.966 0.300 1
20 9 9 THR CB C 69.974 0.300 1
21 9 9 THR CG2 C 21.554 0.300 1
22 9 9 THR N N 116.505 0.300 1
23 10 10 VAL H H 8.268 0.030 1
24 10 10 VAL HA H 4.206 0.030 1
25 10 10 VAL HB H 2.103 0.030 1
26 10 10 VAL HG1 H 0.857 0.030 1
27 10 10 VAL HG2 H 0.930 0.030 1
28 10 10 VAL C C 176.012 0.300 1
29 10 10 VAL CA C 62.117 0.300 1
30 10 10 VAL CB C 32.874 0.300 1
31 10 10 VAL CG1 C 21.138 0.300 2
32 10 10 VAL CG2 C 20.324 0.300 2
33 10 10 VAL N N 122.697 0.300 1
34 11 11 SER H H 8.424 0.030 1
35 11 11 SER HA H 4.537 0.030 1
36 11 11 SER HB2 H 3.873 0.030 1
37 11 11 SER HB3 H 3.873 0.030 1
38 11 11 SER C C 174.482 0.300 1
39 11 11 SER CA C 58.222 0.300 1
40 11 11 SER CB C 64.125 0.300 1
41 11 11 SER N N 119.663 0.300 1
42 12 12 GLY H H 8.266 0.030 1
43 12 12 GLY HA2 H 4.118 0.030 2
44 12 12 GLY C C 171.908 0.300 1
45 12 12 GLY CA C 44.654 0.300 1
46 12 12 GLY N N 110.851 0.300 1
47 13 13 PRO HA H 4.401 0.030 1
48 13 13 PRO HB2 H 1.964 0.030 2
49 13 13 PRO HB3 H 2.285 0.030 2
50 13 13 PRO C C 177.614 0.300 1
51 13 13 PRO CA C 63.486 0.300 1
52 13 13 PRO CB C 32.145 0.300 1
53 13 13 PRO CG C 27.239 0.300 1
54 14 14 GLY H H 8.513 0.030 1
55 14 14 GLY HA2 H 3.951 0.030 1
56 14 14 GLY HA3 H 3.951 0.030 1
57 14 14 GLY C C 173.972 0.300 1
58 14 14 GLY CA C 45.219 0.300 1
59 14 14 GLY N N 109.739 0.300 1
60 15 15 THR H H 8.029 0.030 1
61 15 15 THR HA H 4.586 0.030 1
62 15 15 THR HB H 4.139 0.030 1
63 15 15 THR HG2 H 1.220 0.030 1
64 15 15 THR C C 172.879 0.300 1
65 15 15 THR CA C 59.724 0.300 1
66 15 15 THR CB C 69.799 0.300 1
67 15 15 THR CG2 C 20.850 0.300 1
68 15 15 THR N N 116.428 0.300 1
69 16 16 PRO HA H 4.432 0.030 1
70 16 16 PRO HD2 H 3.846 0.030 2
71 16 16 PRO HD3 H 3.704 0.030 2
72 16 16 PRO CA C 63.099 0.300 1
73 16 16 PRO CB C 32.136 0.300 1
74 16 16 PRO CD C 51.073 0.300 1
75 16 16 PRO CG C 27.411 0.300 1
76 17 17 GLU H H 8.471 0.030 1
77 17 17 GLU HA H 4.532 0.030 1
78 17 17 GLU HB2 H 2.017 0.030 2
79 17 17 GLU HB3 H 1.892 0.030 2
80 17 17 GLU HG2 H 2.309 0.030 1
81 17 17 GLU HG3 H 2.309 0.030 1
82 17 17 GLU CA C 54.333 0.300 1
83 17 17 GLU CB C 29.755 0.300 1
84 17 17 GLU CG C 36.029 0.300 1
85 17 17 GLU N N 123.028 0.300 1
86 18 18 PRO HA H 4.435 0.030 1
87 18 18 PRO HB2 H 2.290 0.030 2
88 18 18 PRO HB3 H 1.895 0.030 2
89 18 18 PRO HD2 H 3.813 0.030 2
90 18 18 PRO HD3 H 3.675 0.030 2
91 18 18 PRO C C 176.667 0.300 1
92 18 18 PRO CA C 63.051 0.300 1
93 18 18 PRO CB C 32.100 0.300 1
94 18 18 PRO CD C 50.683 0.300 1
95 18 18 PRO CG C 27.321 0.300 1
96 19 19 ARG H H 8.422 0.030 1
97 19 19 ARG HA H 4.609 0.030 1
98 19 19 ARG HB2 H 1.833 0.030 2
99 19 19 ARG HB3 H 1.715 0.030 2
100 19 19 ARG HD2 H 3.212 0.030 2
101 19 19 ARG HG2 H 1.693 0.030 2
102 19 19 ARG C C 174.239 0.300 1
103 19 19 ARG CA C 53.710 0.300 1
104 19 19 ARG CB C 30.279 0.300 1
105 19 19 ARG CD C 43.337 0.300 1
106 19 19 ARG CG C 26.811 0.300 1
107 19 19 ARG N N 122.588 0.300 1
108 20 20 PRO HA H 4.406 0.030 1
109 20 20 PRO HB2 H 1.885 0.030 2
110 20 20 PRO HB3 H 2.284 0.030 2
111 20 20 PRO HD2 H 3.792 0.030 2
112 20 20 PRO HD3 H 3.606 0.030 2
113 20 20 PRO HG2 H 1.999 0.030 1
114 20 20 PRO HG3 H 1.999 0.030 1
115 20 20 PRO C C 176.522 0.300 1
116 20 20 PRO CA C 63.015 0.300 1
117 20 20 PRO CB C 32.143 0.300 1
118 20 20 PRO CD C 50.597 0.300 1
119 20 20 PRO CG C 27.431 0.300 1
120 21 21 ALA H H 8.484 0.030 1
121 21 21 ALA HA H 4.326 0.030 1
122 21 21 ALA HB H 1.376 0.030 1
123 21 21 ALA C C 177.760 0.300 1
124 21 21 ALA CA C 52.373 0.300 1
125 21 21 ALA CB C 19.249 0.300 1
126 21 21 ALA N N 124.820 0.300 1
127 22 22 THR H H 8.219 0.030 1
128 22 22 THR HA H 4.585 0.030 1
129 22 22 THR HB H 4.150 0.030 1
130 22 22 THR HG2 H 1.221 0.030 1
131 22 22 THR C C 173.001 0.300 1
132 22 22 THR CA C 59.632 0.300 1
133 22 22 THR CB C 69.808 0.300 1
134 22 22 THR CG2 C 20.927 0.300 1
135 22 22 THR N N 115.934 0.300 1
136 23 23 PRO HA H 4.405 0.030 1
137 23 23 PRO HB2 H 2.008 0.030 2
138 23 23 PRO HB3 H 2.302 0.030 2
139 23 23 PRO HD2 H 3.847 0.030 2
140 23 23 PRO HD3 H 3.704 0.030 2
141 23 23 PRO C C 177.687 0.300 1
142 23 23 PRO CA C 63.615 0.300 1
143 23 23 PRO CB C 31.993 0.300 1
144 23 23 PRO CD C 51.051 0.300 1
145 23 23 PRO CG C 26.992 0.300 1
146 24 24 GLY H H 8.519 0.030 1
147 24 24 GLY HA2 H 3.947 0.030 1
148 24 24 GLY HA3 H 3.947 0.030 1
149 24 24 GLY C C 173.923 0.300 1
150 24 24 GLY CA C 45.182 0.300 1
151 24 24 GLY N N 109.460 0.300 1
152 25 25 ALA H H 8.126 0.030 1
153 25 25 ALA HA H 4.360 0.030 1
154 25 25 ALA HB H 1.393 0.030 1
155 25 25 ALA C C 177.906 0.300 1
156 25 25 ALA CA C 52.521 0.300 1
157 25 25 ALA CB C 19.489 0.300 1
158 25 25 ALA N N 123.705 0.300 1
159 26 26 SER H H 8.331 0.030 1
160 26 26 SER HA H 4.586 0.030 1
161 26 26 SER HB2 H 3.843 0.030 1
162 26 26 SER HB3 H 3.843 0.030 1
163 26 26 SER C C 173.875 0.300 1
164 26 26 SER CA C 58.098 0.300 1
165 26 26 SER CB C 64.125 0.300 1
166 26 26 SER N N 115.465 0.300 1
167 27 27 SER H H 8.229 0.030 1
168 27 27 SER HA H 4.653 0.030 1
169 27 27 SER HB2 H 3.966 0.030 2
170 27 27 SER HB3 H 4.196 0.030 2
171 27 27 SER C C 174.676 0.300 1
172 27 27 SER CA C 57.588 0.300 1
173 27 27 SER CB C 65.365 0.300 1
174 27 27 SER N N 116.763 0.300 1
175 28 28 VAL H H 8.739 0.030 1
176 28 28 VAL HA H 3.486 0.030 1
177 28 28 VAL HB H 2.107 0.030 1
178 28 28 VAL HG1 H 1.168 0.030 1
179 28 28 VAL HG2 H 0.906 0.030 1
180 28 28 VAL C C 177.274 0.300 1
181 28 28 VAL CA C 67.403 0.300 1
182 28 28 VAL CB C 32.026 0.300 1
183 28 28 VAL CG1 C 23.750 0.300 2
184 28 28 VAL CG2 C 21.166 0.300 2
185 28 28 VAL N N 122.542 0.300 1
186 29 29 GLU H H 8.337 0.030 1
187 29 29 GLU HA H 3.993 0.030 1
188 29 29 GLU HB2 H 1.958 0.030 2
189 29 29 GLU HB3 H 2.143 0.030 2
190 29 29 GLU C C 178.707 0.300 1
191 29 29 GLU CA C 59.632 0.300 1
192 29 29 GLU CB C 29.356 0.300 1
193 29 29 GLU CG C 36.054 0.300 1
194 29 29 GLU N N 118.206 0.300 1
195 30 30 GLN H H 7.918 0.030 1
196 30 30 GLN HA H 3.986 0.030 1
197 30 30 GLN HB2 H 2.178 0.030 2
198 30 30 GLN HB3 H 2.114 0.030 2
199 30 30 GLN HE21 H 6.849 0.030 2
200 30 30 GLN HE22 H 7.744 0.030 2
201 30 30 GLN HG2 H 2.402 0.030 1
202 30 30 GLN HG3 H 2.402 0.030 1
203 30 30 GLN C C 178.901 0.300 1
204 30 30 GLN CA C 58.975 0.300 1
205 30 30 GLN CB C 28.507 0.300 1
206 30 30 GLN CG C 33.611 0.300 1
207 30 30 GLN N N 118.905 0.300 1
208 30 30 GLN NE2 N 112.458 0.300 1
209 31 31 LEU H H 8.096 0.030 1
210 31 31 LEU HA H 4.095 0.030 1
211 31 31 LEU HB2 H 1.835 0.030 2
212 31 31 LEU HB3 H 1.502 0.030 2
213 31 31 LEU HD1 H 0.904 0.030 1
214 31 31 LEU HD2 H 0.728 0.030 1
215 31 31 LEU HG H 1.696 0.030 1
216 31 31 LEU C C 179.120 0.300 1
217 31 31 LEU CA C 57.870 0.300 1
218 31 31 LEU CB C 43.035 0.300 1
219 31 31 LEU CD1 C 22.662 0.300 2
220 31 31 LEU CD2 C 25.597 0.300 2
221 31 31 LEU CG C 27.644 0.300 1
222 31 31 LEU N N 121.084 0.300 1
223 32 32 ARG H H 8.788 0.030 1
224 32 32 ARG HA H 3.871 0.030 1
225 32 32 ARG HB2 H 2.157 0.030 2
226 32 32 ARG HB3 H 1.757 0.030 2
227 32 32 ARG HD2 H 3.038 0.030 2
228 32 32 ARG HD3 H 3.289 0.030 2
229 32 32 ARG HG2 H 1.645 0.030 2
230 32 32 ARG HG3 H 1.492 0.030 2
231 32 32 ARG C C 177.736 0.300 1
232 32 32 ARG CA C 60.584 0.300 1
233 32 32 ARG CB C 30.690 0.300 1
234 32 32 ARG CD C 43.627 0.300 1
235 32 32 ARG CG C 27.842 0.300 1
236 32 32 ARG N N 120.053 0.300 1
237 33 33 LYS H H 7.983 0.030 1
238 33 33 LYS HA H 3.985 0.030 1
239 33 33 LYS HB2 H 1.971 0.030 1
240 33 33 LYS HB3 H 1.971 0.030 1
241 33 33 LYS HD2 H 1.701 0.030 2
242 33 33 LYS HE2 H 2.973 0.030 2
243 33 33 LYS HG2 H 1.405 0.030 2
244 33 33 LYS HG3 H 1.673 0.030 2
245 33 33 LYS C C 179.362 0.300 1
246 33 33 LYS CA C 60.327 0.300 1
247 33 33 LYS CB C 32.255 0.300 1
248 33 33 LYS CD C 29.695 0.300 1
249 33 33 LYS CE C 42.086 0.300 1
250 33 33 LYS CG C 25.639 0.300 1
251 33 33 LYS N N 118.694 0.300 1
252 34 34 GLU H H 8.358 0.030 1
253 34 34 GLU HA H 3.999 0.030 1
254 34 34 GLU HB2 H 2.121 0.030 2
255 34 34 GLU HB3 H 1.978 0.030 2
256 34 34 GLU HG2 H 2.362 0.030 2
257 34 34 GLU HG3 H 2.113 0.030 2
258 34 34 GLU C C 179.848 0.300 1
259 34 34 GLU CA C 59.403 0.300 1
260 34 34 GLU CB C 29.378 0.300 1
261 34 34 GLU CG C 36.049 0.300 1
262 34 34 GLU N N 120.794 0.300 1
263 35 35 GLY H H 8.795 0.030 1
264 35 35 GLY HA2 H 3.018 0.030 2
265 35 35 GLY HA3 H 3.306 0.030 2
266 35 35 GLY C C 174.531 0.300 1
267 35 35 GLY CA C 47.931 0.300 1
268 35 35 GLY N N 106.818 0.300 1
269 36 36 ASN H H 8.722 0.030 1
270 36 36 ASN HA H 4.473 0.030 1
271 36 36 ASN HB2 H 3.249 0.030 2
272 36 36 ASN HB3 H 2.927 0.030 2
273 36 36 ASN HD21 H 7.875 0.030 2
274 36 36 ASN HD22 H 6.941 0.030 2
275 36 36 ASN C C 178.658 0.300 1
276 36 36 ASN CA C 55.636 0.300 1
277 36 36 ASN CB C 37.219 0.300 1
278 36 36 ASN N N 120.101 0.300 1
279 36 36 ASN ND2 N 110.895 0.300 1
280 37 37 GLU H H 8.234 0.030 1
281 37 37 GLU HA H 4.143 0.030 1
282 37 37 GLU HB2 H 2.171 0.030 2
283 37 37 GLU HG2 H 2.373 0.030 2
284 37 37 GLU C C 179.387 0.300 1
285 37 37 GLU CA C 59.346 0.300 1
286 37 37 GLU CB C 28.832 0.300 1
287 37 37 GLU CG C 35.922 0.300 1
288 37 37 GLU N N 122.435 0.300 1
289 38 38 LEU H H 8.203 0.030 1
290 38 38 LEU HA H 4.120 0.030 1
291 38 38 LEU HB2 H 1.721 0.030 2
292 38 38 LEU HB3 H 1.594 0.030 2
293 38 38 LEU HD1 H 0.575 0.030 1
294 38 38 LEU HD2 H 0.884 0.030 1
295 38 38 LEU HG H 1.779 0.030 1
296 38 38 LEU C C 178.828 0.300 1
297 38 38 LEU CA C 58.011 0.300 1
298 38 38 LEU CB C 40.768 0.300 1
299 38 38 LEU CD1 C 25.857 0.300 2
300 38 38 LEU CD2 C 22.322 0.300 2
301 38 38 LEU CG C 26.617 0.300 1
302 38 38 LEU N N 121.872 0.300 1
303 39 39 PHE H H 8.972 0.030 1
304 39 39 PHE HA H 3.588 0.030 1
305 39 39 PHE HB2 H 3.468 0.030 2
306 39 39 PHE HB3 H 3.185 0.030 2
307 39 39 PHE HD1 H 7.455 0.030 1
308 39 39 PHE HD2 H 7.455 0.030 1
309 39 39 PHE HE1 H 7.296 0.030 1
310 39 39 PHE HE2 H 7.296 0.030 1
311 39 39 PHE HZ H 7.293 0.030 1
312 39 39 PHE C C 179.460 0.300 1
313 39 39 PHE CA C 62.297 0.300 1
314 39 39 PHE CB C 39.838 0.300 1
315 39 39 PHE CD1 C 132.329 0.300 1
316 39 39 PHE CD2 C 132.329 0.300 1
317 39 39 PHE CE1 C 131.620 0.300 1
318 39 39 PHE CE2 C 131.620 0.300 1
319 39 39 PHE CZ C 130.201 0.300 1
320 39 39 PHE N N 121.270 0.300 1
321 40 40 LYS H H 8.201 0.030 1
322 40 40 LYS HA H 4.076 0.030 1
323 40 40 LYS HB2 H 2.107 0.030 1
324 40 40 LYS HB3 H 2.107 0.030 1
325 40 40 LYS HD2 H 1.768 0.030 1
326 40 40 LYS HD3 H 1.768 0.030 1
327 40 40 LYS HE2 H 2.995 0.030 1
328 40 40 LYS HE3 H 2.995 0.030 1
329 40 40 LYS HG2 H 1.756 0.030 2
330 40 40 LYS HG3 H 1.586 0.030 2
331 40 40 LYS C C 177.930 0.300 1
332 40 40 LYS CA C 59.562 0.300 1
333 40 40 LYS CB C 32.505 0.300 1
334 40 40 LYS CD C 29.612 0.300 1
335 40 40 LYS CE C 42.094 0.300 1
336 40 40 LYS CG C 25.184 0.300 1
337 40 40 LYS N N 120.588 0.300 1
338 41 41 CYS H H 7.471 0.030 1
339 41 41 CYS HA H 4.566 0.030 1
340 41 41 CYS HB2 H 3.056 0.030 2
341 41 41 CYS HB3 H 3.017 0.030 2
342 41 41 CYS C C 174.700 0.300 1
343 41 41 CYS CA C 59.047 0.300 1
344 41 41 CYS CB C 27.571 0.300 1
345 41 41 CYS N N 113.444 0.300 1
346 42 42 GLY H H 7.554 0.030 1
347 42 42 GLY HA2 H 2.768 0.030 2
348 42 42 GLY HA3 H 3.855 0.030 2
349 42 42 GLY C C 172.685 0.300 1
350 42 42 GLY CA C 44.548 0.300 1
351 42 42 GLY N N 108.685 0.300 1
352 43 43 ASP H H 7.853 0.030 1
353 43 43 ASP HA H 4.650 0.030 1
354 43 43 ASP HB2 H 2.741 0.030 2
355 43 43 ASP HB3 H 2.243 0.030 2
356 43 43 ASP C C 175.915 0.300 1
357 43 43 ASP CA C 50.856 0.300 1
358 43 43 ASP CB C 38.561 0.300 1
359 43 43 ASP N N 120.770 0.300 1
360 44 44 TYR H H 6.938 0.030 1
361 44 44 TYR HA H 4.162 0.030 1
362 44 44 TYR HB2 H 3.009 0.030 2
363 44 44 TYR HB3 H 2.690 0.030 2
364 44 44 TYR HD1 H 6.882 0.030 1
365 44 44 TYR HD2 H 6.882 0.030 1
366 44 44 TYR HE1 H 6.222 0.030 1
367 44 44 TYR HE2 H 6.222 0.030 1
368 44 44 TYR C C 178.367 0.300 1
369 44 44 TYR CA C 61.314 0.300 1
370 44 44 TYR CB C 37.584 0.300 1
371 44 44 TYR CD1 C 132.297 0.300 1
372 44 44 TYR CD2 C 132.297 0.300 1
373 44 44 TYR CE1 C 119.270 0.300 1
374 44 44 TYR CE2 C 119.270 0.300 1
375 44 44 TYR N N 121.298 0.300 1
376 45 45 GLY H H 9.126 0.030 1
377 45 45 GLY HA2 H 3.837 0.030 2
378 45 45 GLY HA3 H 3.998 0.030 2
379 45 45 GLY C C 177.371 0.300 1
380 45 45 GLY CA C 46.768 0.300 1
381 45 45 GLY N N 107.512 0.300 1
382 46 46 GLY H H 8.373 0.030 1
383 46 46 GLY HA2 H 3.604 0.030 2
384 46 46 GLY HA3 H 3.813 0.030 2
385 46 46 GLY C C 177.153 0.300 1
386 46 46 GLY CA C 47.262 0.300 1
387 46 46 GLY N N 113.770 0.300 1
388 47 47 ALA H H 8.514 0.030 1
389 47 47 ALA HA H 3.737 0.030 1
390 47 47 ALA HB H 1.602 0.030 1
391 47 47 ALA C C 177.493 0.300 1
392 47 47 ALA CA C 55.640 0.300 1
393 47 47 ALA CB C 18.525 0.300 1
394 47 47 ALA N N 127.047 0.300 1
395 48 48 LEU H H 8.311 0.030 1
396 48 48 LEU HA H 4.003 0.030 1
397 48 48 LEU HB2 H 1.825 0.030 1
398 48 48 LEU HB3 H 1.825 0.030 1
399 48 48 LEU HD1 H 0.762 0.030 1
400 48 48 LEU HD2 H 0.698 0.030 1
401 48 48 LEU HG H 1.665 0.030 1
402 48 48 LEU C C 180.237 0.300 1
403 48 48 LEU CA C 58.716 0.300 1
404 48 48 LEU CB C 42.374 0.300 1
405 48 48 LEU CD1 C 25.292 0.300 2
406 48 48 LEU CD2 C 24.503 0.300 2
407 48 48 LEU CG C 26.911 0.300 1
408 48 48 LEU N N 117.848 0.300 1
409 49 49 ALA H H 7.813 0.030 1
410 49 49 ALA HA H 4.133 0.030 1
411 49 49 ALA HB H 1.503 0.030 1
412 49 49 ALA C C 179.994 0.300 1
413 49 49 ALA CA C 55.494 0.300 1
414 49 49 ALA CB C 17.790 0.300 1
415 49 49 ALA N N 123.537 0.300 1
416 50 50 ALA H H 7.624 0.030 1
417 50 50 ALA HA H 4.146 0.030 1
418 50 50 ALA HB H 1.263 0.030 1
419 50 50 ALA C C 179.994 0.300 1
420 50 50 ALA CA C 55.575 0.300 1
421 50 50 ALA CB C 16.869 0.300 1
422 50 50 ALA N N 123.869 0.300 1
423 51 51 TYR H H 8.495 0.030 1
424 51 51 TYR HA H 4.348 0.030 1
425 51 51 TYR HB2 H 3.028 0.030 2
426 51 51 TYR HB3 H 2.854 0.030 2
427 51 51 TYR HD1 H 6.793 0.030 1
428 51 51 TYR HD2 H 6.793 0.030 1
429 51 51 TYR HE1 H 6.666 0.030 1
430 51 51 TYR HE2 H 6.666 0.030 1
431 51 51 TYR C C 178.440 0.300 1
432 51 51 TYR CA C 58.564 0.300 1
433 51 51 TYR CB C 38.481 0.300 1
434 51 51 TYR CD1 C 132.041 0.300 1
435 51 51 TYR CD2 C 132.041 0.300 1
436 51 51 TYR CE1 C 117.689 0.300 1
437 51 51 TYR CE2 C 117.689 0.300 1
438 51 51 TYR N N 115.230 0.300 1
439 52 52 THR H H 8.481 0.030 1
440 52 52 THR HA H 3.845 0.030 1
441 52 52 THR HB H 4.432 0.030 1
442 52 52 THR HG2 H 1.218 0.030 1
443 52 52 THR C C 176.279 0.300 1
444 52 52 THR CA C 67.296 0.300 1
445 52 52 THR CB C 68.753 0.300 1
446 52 52 THR CG2 C 20.863 0.300 1
447 52 52 THR N N 115.079 0.300 1
448 53 53 GLN H H 8.209 0.030 1
449 53 53 GLN HA H 3.999 0.030 1
450 53 53 GLN HB2 H 2.106 0.030 2
451 53 53 GLN HB3 H 2.285 0.030 2
452 53 53 GLN HE21 H 7.265 0.030 2
453 53 53 GLN HE22 H 6.839 0.030 2
454 53 53 GLN HG2 H 2.506 0.030 2
455 53 53 GLN HG3 H 2.285 0.030 2
456 53 53 GLN C C 179.630 0.300 1
457 53 53 GLN CA C 59.106 0.300 1
458 53 53 GLN CB C 28.369 0.300 1
459 53 53 GLN CG C 34.162 0.300 1
460 53 53 GLN N N 123.293 0.300 1
461 53 53 GLN NE2 N 110.558 0.300 1
462 54 54 ALA H H 8.059 0.030 1
463 54 54 ALA HA H 3.908 0.030 1
464 54 54 ALA HB H 1.645 0.030 1
465 54 54 ALA C C 178.294 0.300 1
466 54 54 ALA CA C 55.121 0.300 1
467 54 54 ALA CB C 18.923 0.300 1
468 54 54 ALA N N 122.085 0.300 1
469 55 55 LEU H H 7.506 0.030 1
470 55 55 LEU HA H 3.961 0.030 1
471 55 55 LEU HB2 H 1.505 0.030 2
472 55 55 LEU HB3 H 1.859 0.030 2
473 55 55 LEU HD1 H 0.385 0.030 1
474 55 55 LEU HD2 H 0.582 0.030 1
475 55 55 LEU HG H 1.538 0.030 1
476 55 55 LEU C C 177.930 0.300 1
477 55 55 LEU CA C 56.601 0.300 1
478 55 55 LEU CB C 42.456 0.300 1
479 55 55 LEU CD1 C 24.044 0.300 2
480 55 55 LEU CD2 C 23.671 0.300 2
481 55 55 LEU CG C 27.420 0.300 1
482 55 55 LEU N N 115.991 0.300 1
483 56 56 GLY H H 7.558 0.030 1
484 56 56 GLY HA2 H 3.731 0.030 2
485 56 56 GLY HA3 H 4.291 0.030 2
486 56 56 GLY C C 174.093 0.300 1
487 56 56 GLY CA C 45.147 0.300 1
488 56 56 GLY N N 106.000 0.300 1
489 57 57 LEU H H 7.228 0.030 1
490 57 57 LEU HA H 4.598 0.030 1
491 57 57 LEU HB2 H 1.542 0.030 2
492 57 57 LEU HB3 H 1.885 0.030 2
493 57 57 LEU HD1 H 0.796 0.030 1
494 57 57 LEU HD2 H 0.829 0.030 1
495 57 57 LEU HG H 1.789 0.030 1
496 57 57 LEU C C 175.963 0.300 1
497 57 57 LEU CA C 53.419 0.300 1
498 57 57 LEU CB C 41.948 0.300 1
499 57 57 LEU CD1 C 26.311 0.300 2
500 57 57 LEU CD2 C 22.378 0.300 2
501 57 57 LEU CG C 26.565 0.300 1
502 57 57 LEU N N 121.906 0.300 1
503 58 58 ASP H H 8.223 0.030 1
504 58 58 ASP HA H 4.572 0.030 1
505 58 58 ASP HB2 H 2.689 0.030 2
506 58 58 ASP HB3 H 2.600 0.030 2
507 58 58 ASP C C 175.477 0.300 1
508 58 58 ASP CA C 54.516 0.300 1
509 58 58 ASP CB C 39.651 0.300 1
510 58 58 ASP N N 119.833 0.300 1
511 59 59 ALA H H 7.859 0.030 1
512 59 59 ALA HA H 4.714 0.030 1
513 59 59 ALA HB H 1.395 0.030 1
514 59 59 ALA C C 178.003 0.300 1
515 59 59 ALA CA C 51.209 0.300 1
516 59 59 ALA CB C 20.380 0.300 1
517 59 59 ALA N N 124.625 0.300 1
518 60 60 THR H H 9.249 0.030 1
519 60 60 THR HA H 4.632 0.030 1
520 60 60 THR HB H 4.798 0.030 1
521 60 60 THR HG2 H 1.499 0.030 1
522 60 60 THR C C 173.802 0.300 1
523 60 60 THR CA C 60.767 0.300 1
524 60 60 THR CB C 68.610 0.300 1
525 60 60 THR CG2 C 22.066 0.300 1
526 60 60 THR N N 115.374 0.300 1
527 61 61 PRO HA H 4.283 0.030 1
528 61 61 PRO HB2 H 2.437 0.030 2
529 61 61 PRO HB3 H 2.013 0.030 2
530 61 61 PRO HD2 H 3.993 0.030 2
531 61 61 PRO HD3 H 3.937 0.030 2
532 61 61 PRO HG2 H 2.286 0.030 2
533 61 61 PRO HG3 H 2.108 0.030 2
534 61 61 PRO C C 178.488 0.300 1
535 61 61 PRO CA C 66.261 0.300 1
536 61 61 PRO CB C 31.772 0.300 1
537 61 61 PRO CD C 50.256 0.300 1
538 61 61 PRO CG C 28.310 0.300 1
539 62 62 GLN H H 8.266 0.030 1
540 62 62 GLN HA H 4.055 0.030 1
541 62 62 GLN HB2 H 2.111 0.030 2
542 62 62 GLN HB3 H 2.016 0.030 2
543 62 62 GLN HE21 H 7.623 0.030 2
544 62 62 GLN HE22 H 6.972 0.030 2
545 62 62 GLN HG2 H 2.536 0.030 2
546 62 62 GLN HG3 H 2.438 0.030 2
547 62 62 GLN C C 178.658 0.300 1
548 62 62 GLN CA C 59.879 0.300 1
549 62 62 GLN CB C 27.914 0.300 1
550 62 62 GLN CG C 34.566 0.300 1
551 62 62 GLN N N 115.450 0.300 1
552 62 62 GLN NE2 N 112.617 0.300 1
553 63 63 ASP H H 7.777 0.030 1
554 63 63 ASP HA H 4.425 0.030 1
555 63 63 ASP HB2 H 2.985 0.030 2
556 63 63 ASP HB3 H 2.308 0.030 2
557 63 63 ASP C C 179.338 0.300 1
558 63 63 ASP CA C 57.412 0.300 1
559 63 63 ASP CB C 40.891 0.300 1
560 63 63 ASP N N 120.523 0.300 1
561 64 64 GLN H H 8.808 0.030 1
562 64 64 GLN HA H 3.691 0.030 1
563 64 64 GLN HB2 H 2.344 0.030 2
564 64 64 GLN HB3 H 1.969 0.030 2
565 64 64 GLN HE21 H 7.435 0.030 2
566 64 64 GLN HE22 H 6.907 0.030 2
567 64 64 GLN HG2 H 2.521 0.030 2
568 64 64 GLN HG3 H 2.230 0.030 2
569 64 64 GLN C C 177.226 0.300 1
570 64 64 GLN CA C 59.591 0.300 1
571 64 64 GLN CB C 28.298 0.300 1
572 64 64 GLN CG C 34.514 0.300 1
573 64 64 GLN N N 118.416 0.300 1
574 64 64 GLN NE2 N 112.121 0.300 1
575 65 65 ALA H H 8.164 0.030 1
576 65 65 ALA HA H 4.003 0.030 1
577 65 65 ALA HB H 1.734 0.030 1
578 65 65 ALA C C 179.047 0.300 1
579 65 65 ALA CA C 56.716 0.300 1
580 65 65 ALA CB C 18.711 0.300 1
581 65 65 ALA N N 120.663 0.300 1
582 66 66 VAL H H 7.205 0.030 1
583 66 66 VAL HA H 3.308 0.030 1
584 66 66 VAL HB H 2.104 0.030 1
585 66 66 VAL HG1 H 1.091 0.030 1
586 66 66 VAL HG2 H 0.817 0.030 1
587 66 66 VAL C C 177.687 0.300 1
588 66 66 VAL CA C 66.328 0.300 1
589 66 66 VAL CB C 31.986 0.300 1
590 66 66 VAL CG1 C 22.543 0.300 2
591 66 66 VAL CG2 C 21.350 0.300 2
592 66 66 VAL N N 116.159 0.300 1
593 67 67 LEU H H 7.933 0.030 1
594 67 67 LEU HA H 3.567 0.030 1
595 67 67 LEU HB2 H 1.895 0.030 2
596 67 67 LEU HB3 H 1.015 0.030 2
597 67 67 LEU HD1 H 0.698 0.030 1
598 67 67 LEU HD2 H 0.908 0.030 1
599 67 67 LEU HG H 1.772 0.030 1
600 67 67 LEU C C 179.775 0.300 1
601 67 67 LEU CA C 58.416 0.300 1
602 67 67 LEU CB C 41.100 0.300 1
603 67 67 LEU CD1 C 25.344 0.300 2
604 67 67 LEU CD2 C 23.111 0.300 2
605 67 67 LEU CG C 27.438 0.300 1
606 67 67 LEU N N 119.293 0.300 1
607 68 68 HIS H H 8.914 0.030 1
608 68 68 HIS HA H 4.501 0.030 1
609 68 68 HIS HB2 H 2.985 0.030 2
610 68 68 HIS HB3 H 3.633 0.030 2
611 68 68 HIS HD2 H 6.408 0.030 1
612 68 68 HIS HE1 H 7.888 0.030 1
613 68 68 HIS C C 178.124 0.300 1
614 68 68 HIS CA C 60.609 0.300 1
615 68 68 HIS CB C 28.075 0.300 1
616 68 68 HIS CD2 C 127.859 0.300 1
617 68 68 HIS CE1 C 138.499 0.300 1
618 68 68 HIS N N 118.314 0.300 1
619 69 69 ARG H H 8.468 0.030 1
620 69 69 ARG HA H 3.820 0.030 1
621 69 69 ARG HB2 H 1.916 0.030 2
622 69 69 ARG HB3 H 1.848 0.030 2
623 69 69 ARG HD2 H 3.442 0.030 2
624 69 69 ARG HD3 H 2.916 0.030 2
625 69 69 ARG HG2 H 1.520 0.030 2
626 69 69 ARG HG3 H 1.833 0.030 2
627 69 69 ARG C C 178.780 0.300 1
628 69 69 ARG CA C 59.844 0.300 1
629 69 69 ARG CB C 29.484 0.300 1
630 69 69 ARG CD C 44.859 0.300 1
631 69 69 ARG CG C 26.349 0.300 1
632 69 69 ARG N N 119.428 0.300 1
633 70 70 ASN H H 8.549 0.030 1
634 70 70 ASN HA H 4.221 0.030 1
635 70 70 ASN HB2 H 1.912 0.030 2
636 70 70 ASN HB3 H 1.743 0.030 2
637 70 70 ASN HD21 H 6.985 0.030 2
638 70 70 ASN HD22 H 5.385 0.030 2
639 70 70 ASN C C 178.634 0.300 1
640 70 70 ASN CA C 55.368 0.300 1
641 70 70 ASN CB C 35.145 0.300 1
642 70 70 ASN N N 123.498 0.300 1
643 70 70 ASN ND2 N 105.930 0.300 1
644 71 71 ARG H H 8.678 0.030 1
645 71 71 ARG HA H 3.956 0.030 1
646 71 71 ARG HB2 H 2.722 0.030 2
647 71 71 ARG HB3 H 1.557 0.030 2
648 71 71 ARG HD2 H 3.096 0.030 2
649 71 71 ARG HD3 H 2.959 0.030 2
650 71 71 ARG HE H 7.317 0.030 1
651 71 71 ARG HG2 H 2.306 0.030 2
652 71 71 ARG HG3 H 1.426 0.030 2
653 71 71 ARG C C 178.124 0.300 1
654 71 71 ARG CA C 63.167 0.300 1
655 71 71 ARG CB C 29.160 0.300 1
656 71 71 ARG CD C 44.790 0.300 1
657 71 71 ARG CG C 28.405 0.300 1
658 71 71 ARG N N 121.235 0.300 1
659 71 71 ARG NE N 83.387 0.300 1
660 72 72 ALA H H 8.605 0.030 1
661 72 72 ALA HA H 4.114 0.030 1
662 72 72 ALA HB H 1.657 0.030 1
663 72 72 ALA C C 178.683 0.300 1
664 72 72 ALA CA C 56.495 0.300 1
665 72 72 ALA CB C 17.642 0.300 1
666 72 72 ALA N N 120.110 0.300 1
667 73 73 ALA H H 7.553 0.030 1
668 73 73 ALA HA H 4.125 0.030 1
669 73 73 ALA HB H 1.534 0.030 1
670 73 73 ALA C C 180.601 0.300 1
671 73 73 ALA CA C 55.404 0.300 1
672 73 73 ALA CB C 18.391 0.300 1
673 73 73 ALA N N 117.512 0.300 1
674 74 74 CYS H H 7.650 0.030 1
675 74 74 CYS HA H 4.111 0.030 1
676 74 74 CYS HB2 H 3.458 0.030 2
677 74 74 CYS HB3 H 2.562 0.030 2
678 74 74 CYS C C 176.206 0.300 1
679 74 74 CYS CA C 64.248 0.300 1
680 74 74 CYS CB C 27.745 0.300 1
681 74 74 CYS N N 116.316 0.300 1
682 75 75 HIS H H 8.424 0.030 1
683 75 75 HIS HA H 4.445 0.030 1
684 75 75 HIS HB2 H 3.622 0.030 2
685 75 75 HIS HB3 H 2.793 0.030 2
686 75 75 HIS HD2 H 6.150 0.030 1
687 75 75 HIS HE1 H 7.668 0.030 1
688 75 75 HIS C C 178.318 0.300 1
689 75 75 HIS CA C 59.775 0.300 1
690 75 75 HIS CB C 29.846 0.300 1
691 75 75 HIS CE1 C 139.906 0.300 1
692 76 76 LEU H H 8.369 0.030 1
693 76 76 LEU HA H 3.808 0.030 1
694 76 76 LEU HB2 H 2.006 0.030 2
695 76 76 LEU HB3 H 1.614 0.030 2
696 76 76 LEU HD1 H 0.981 0.030 1
697 76 76 LEU HD2 H 0.926 0.030 1
698 76 76 LEU HG H 1.839 0.030 1
699 76 76 LEU C C 180.746 0.300 1
700 76 76 LEU CA C 58.821 0.300 1
701 76 76 LEU CB C 41.962 0.300 1
702 76 76 LEU CD1 C 25.391 0.300 2
703 76 76 LEU CD2 C 23.270 0.300 2
704 76 76 LEU CG C 27.194 0.300 1
705 76 76 LEU N N 118.875 0.300 1
706 77 77 LYS H H 7.262 0.030 1
707 77 77 LYS HA H 3.903 0.030 1
708 77 77 LYS HB2 H 1.321 0.030 2
709 77 77 LYS HB3 H 0.770 0.030 2
710 77 77 LYS HD2 H 1.278 0.030 2
711 77 77 LYS HD3 H 1.616 0.030 2
712 77 77 LYS HE2 H 2.947 0.030 2
713 77 77 LYS HE3 H 2.876 0.030 2
714 77 77 LYS HG2 H 0.591 0.030 2
715 77 77 LYS HG3 H 1.441 0.030 2
716 77 77 LYS C C 178.658 0.300 1
717 77 77 LYS CA C 56.811 0.300 1
718 77 77 LYS CB C 30.993 0.300 1
719 77 77 LYS CD C 27.968 0.300 1
720 77 77 LYS CE C 42.155 0.300 1
721 77 77 LYS CG C 24.407 0.300 1
722 77 77 LYS N N 118.987 0.300 1
723 78 78 LEU H H 7.581 0.030 1
724 78 78 LEU HA H 4.239 0.030 1
725 78 78 LEU HB2 H 1.759 0.030 2
726 78 78 LEU HD1 H 0.751 0.030 1
727 78 78 LEU HD2 H 1.008 0.030 1
728 78 78 LEU HG H 1.585 0.030 1
729 78 78 LEU C C 175.259 0.300 1
730 78 78 LEU CA C 55.023 0.300 1
731 78 78 LEU CB C 41.666 0.300 1
732 78 78 LEU CD1 C 25.499 0.300 2
733 78 78 LEU CD2 C 22.646 0.300 2
734 78 78 LEU CG C 26.495 0.300 1
735 78 78 LEU N N 118.375 0.300 1
736 79 79 GLU H H 7.481 0.030 1
737 79 79 GLU HA H 2.922 0.030 1
738 79 79 GLU HB2 H 2.043 0.030 2
739 79 79 GLU HB3 H 2.272 0.030 2
740 79 79 GLU HG2 H 2.053 0.030 2
741 79 79 GLU HG3 H 2.184 0.030 2
742 79 79 GLU C C 173.802 0.300 1
743 79 79 GLU CA C 57.387 0.300 1
744 79 79 GLU CB C 26.101 0.300 1
745 79 79 GLU CG C 36.803 0.300 1
746 79 79 GLU N N 113.560 0.300 1
747 80 80 ASP H H 8.139 0.030 1
748 80 80 ASP HA H 4.841 0.030 1
749 80 80 ASP HB2 H 2.274 0.030 2
750 80 80 ASP HB3 H 2.861 0.030 2
751 80 80 ASP C C 176.424 0.300 1
752 80 80 ASP CA C 51.350 0.300 1
753 80 80 ASP CB C 39.946 0.300 1
754 80 80 ASP N N 119.558 0.300 1
755 81 81 TYR H H 7.216 0.030 1
756 81 81 TYR HA H 4.008 0.030 1
757 81 81 TYR HB2 H 3.191 0.030 2
758 81 81 TYR HB3 H 2.736 0.030 2
759 81 81 TYR HD1 H 7.018 0.030 1
760 81 81 TYR HD2 H 7.018 0.030 1
761 81 81 TYR HE1 H 6.935 0.030 1
762 81 81 TYR HE2 H 6.935 0.030 1
763 81 81 TYR C C 177.056 0.300 1
764 81 81 TYR CA C 61.632 0.300 1
765 81 81 TYR CB C 37.069 0.300 1
766 81 81 TYR CD1 C 132.270 0.300 1
767 81 81 TYR CD2 C 132.270 0.300 1
768 81 81 TYR CE1 C 118.832 0.300 1
769 81 81 TYR CE2 C 118.832 0.300 1
770 81 81 TYR N N 121.112 0.300 1
771 82 82 ASP H H 8.554 0.030 1
772 82 82 ASP HA H 4.430 0.030 1
773 82 82 ASP HB2 H 2.658 0.030 1
774 82 82 ASP HB3 H 2.658 0.030 1
775 82 82 ASP C C 178.658 0.300 1
776 82 82 ASP CA C 57.447 0.300 1
777 82 82 ASP CB C 40.973 0.300 1
778 82 82 ASP N N 118.573 0.300 1
779 83 83 LYS H H 7.297 0.030 1
780 83 83 LYS HA H 3.915 0.030 1
781 83 83 LYS HB2 H 0.600 0.030 2
782 83 83 LYS HB3 H 0.342 0.030 2
783 83 83 LYS HD2 H 1.374 0.030 2
784 83 83 LYS HD3 H 1.298 0.030 2
785 83 83 LYS HE2 H 2.965 0.030 2
786 83 83 LYS HE3 H 2.874 0.030 2
787 83 83 LYS HG2 H 1.342 0.030 2
788 83 83 LYS HG3 H 1.019 0.030 2
789 83 83 LYS C C 178.731 0.300 1
790 83 83 LYS CA C 59.194 0.300 1
791 83 83 LYS CB C 30.554 0.300 1
792 83 83 LYS CD C 29.482 0.300 1
793 83 83 LYS CE C 42.094 0.300 1
794 83 83 LYS CG C 25.945 0.300 1
795 83 83 LYS N N 118.702 0.300 1
796 84 84 ALA H H 7.950 0.030 1
797 84 84 ALA HA H 4.051 0.030 1
798 84 84 ALA HB H 1.525 0.030 1
799 84 84 ALA C C 178.634 0.300 1
800 84 84 ALA CA C 56.072 0.300 1
801 84 84 ALA CB C 19.356 0.300 1
802 84 84 ALA N N 119.895 0.300 1
803 85 85 GLU H H 8.106 0.030 1
804 85 85 GLU HA H 3.682 0.030 1
805 85 85 GLU HB2 H 2.489 0.030 2
806 85 85 GLU HB3 H 1.849 0.030 2
807 85 85 GLU HG2 H 1.955 0.030 2
808 85 85 GLU HG3 H 2.234 0.030 2
809 85 85 GLU C C 178.440 0.300 1
810 85 85 GLU CA C 61.429 0.300 1
811 85 85 GLU CB C 28.768 0.300 1
812 85 85 GLU CG C 36.485 0.300 1
813 85 85 GLU N N 118.258 0.300 1
814 86 86 THR H H 7.974 0.030 1
815 86 86 THR HA H 3.801 0.030 1
816 86 86 THR HB H 4.170 0.030 1
817 86 86 THR HG2 H 1.219 0.030 1
818 86 86 THR C C 177.711 0.300 1
819 86 86 THR CA C 66.575 0.300 1
820 86 86 THR CB C 68.738 0.300 1
821 86 86 THR CG2 C 21.719 0.300 1
822 86 86 THR N N 115.710 0.300 1
823 87 87 GLU H H 8.461 0.030 1
824 87 87 GLU HA H 3.867 0.030 1
825 87 87 GLU HB2 H 2.971 0.030 2
826 87 87 GLU HB3 H 1.921 0.030 2
827 87 87 GLU HG2 H 2.381 0.030 2
828 87 87 GLU HG3 H 2.513 0.030 2
829 87 87 GLU C C 178.294 0.300 1
830 87 87 GLU CA C 59.183 0.300 1
831 87 87 GLU CB C 29.430 0.300 1
832 87 87 GLU CG C 38.759 0.300 1
833 87 87 GLU N N 120.547 0.300 1
834 88 88 ALA H H 8.520 0.030 1
835 88 88 ALA HA H 3.825 0.030 1
836 88 88 ALA HB H 1.453 0.030 1
837 88 88 ALA C C 179.897 0.300 1
838 88 88 ALA CA C 55.797 0.300 1
839 88 88 ALA CB C 17.400 0.300 1
840 88 88 ALA N N 121.680 0.300 1
841 89 89 SER H H 8.636 0.030 1
842 89 89 SER HA H 4.128 0.030 1
843 89 89 SER HB2 H 3.776 0.030 2
844 89 89 SER HB3 H 4.153 0.030 2
845 89 89 SER C C 176.400 0.300 1
846 89 89 SER CA C 63.273 0.300 1
847 89 89 SER CB C 62.608 0.300 1
848 89 89 SER N N 113.993 0.300 1
849 90 90 LYS H H 7.707 0.030 1
850 90 90 LYS HA H 3.845 0.030 1
851 90 90 LYS HB2 H 1.322 0.030 2
852 90 90 LYS HB3 H 0.652 0.030 2
853 90 90 LYS HD2 H 1.272 0.030 1
854 90 90 LYS HD3 H 1.272 0.030 1
855 90 90 LYS HE2 H 2.754 0.030 1
856 90 90 LYS HE3 H 2.754 0.030 1
857 90 90 LYS HG2 H 1.231 0.030 2
858 90 90 LYS HG3 H 1.131 0.030 2
859 90 90 LYS C C 178.950 0.300 1
860 90 90 LYS CA C 58.897 0.300 1
861 90 90 LYS CB C 31.062 0.300 1
862 90 90 LYS CD C 28.857 0.300 1
863 90 90 LYS CE C 42.127 0.300 1
864 90 90 LYS CG C 24.924 0.300 1
865 90 90 LYS N N 123.038 0.300 1
866 91 91 ALA H H 7.446 0.030 1
867 91 91 ALA HA H 4.051 0.030 1
868 91 91 ALA HB H 1.666 0.030 1
869 91 91 ALA C C 178.950 0.300 1
870 91 91 ALA CA C 55.770 0.300 1
871 91 91 ALA CB C 18.810 0.300 1
872 91 91 ALA N N 120.929 0.300 1
873 92 92 ILE H H 7.949 0.030 1
874 92 92 ILE HA H 3.789 0.030 1
875 92 92 ILE HB H 1.657 0.030 1
876 92 92 ILE HD1 H 0.614 0.030 1
877 92 92 ILE HG12 H 1.752 0.030 2
878 92 92 ILE HG13 H 0.811 0.030 2
879 92 92 ILE HG2 H 0.881 0.030 1
880 92 92 ILE C C 177.638 0.300 1
881 92 92 ILE CA C 63.275 0.300 1
882 92 92 ILE CB C 39.316 0.300 1
883 92 92 ILE CD1 C 14.041 0.300 1
884 92 92 ILE CG1 C 30.695 0.300 1
885 92 92 ILE CG2 C 17.686 0.300 1
886 92 92 ILE N N 119.852 0.300 1
887 93 93 GLU H H 7.850 0.030 1
888 93 93 GLU HA H 3.895 0.030 1
889 93 93 GLU HB2 H 2.038 0.030 1
890 93 93 GLU HB3 H 2.038 0.030 1
891 93 93 GLU HG2 H 2.184 0.030 2
892 93 93 GLU HG3 H 2.364 0.030 2
893 93 93 GLU C C 178.415 0.300 1
894 93 93 GLU CA C 58.779 0.300 1
895 93 93 GLU CB C 29.867 0.300 1
896 93 93 GLU CG C 36.466 0.300 1
897 93 93 GLU N N 118.794 0.300 1
898 94 94 LYS H H 7.130 0.030 1
899 94 94 LYS HA H 4.202 0.030 1
900 94 94 LYS HB2 H 1.962 0.030 1
901 94 94 LYS HB3 H 1.962 0.030 1
902 94 94 LYS HD2 H 1.815 0.030 2
903 94 94 LYS HD3 H 1.599 0.030 2
904 94 94 LYS HE2 H 3.061 0.030 2
905 94 94 LYS HE3 H 2.972 0.030 2
906 94 94 LYS HG2 H 1.654 0.030 2
907 94 94 LYS HG3 H 1.551 0.030 2
908 94 94 LYS C C 176.740 0.300 1
909 94 94 LYS CA C 57.040 0.300 1
910 94 94 LYS CB C 33.204 0.300 1
911 94 94 LYS CD C 28.776 0.300 1
912 94 94 LYS CE C 42.586 0.300 1
913 94 94 LYS CG C 25.653 0.300 1
914 94 94 LYS N N 116.229 0.300 1
915 95 95 ASP H H 8.030 0.030 1
916 95 95 ASP HA H 4.575 0.030 1
917 95 95 ASP HB2 H 2.480 0.030 2
918 95 95 ASP HB3 H 2.921 0.030 2
919 95 95 ASP C C 175.162 0.300 1
920 95 95 ASP CA C 53.852 0.300 1
921 95 95 ASP CB C 41.290 0.300 1
922 95 95 ASP N N 119.101 0.300 1
923 96 96 GLY H H 8.594 0.030 1
924 96 96 GLY HA2 H 3.718 0.030 2
925 96 96 GLY HA3 H 4.144 0.030 2
926 96 96 GLY C C 174.312 0.300 1
927 96 96 GLY CA C 46.663 0.300 1
928 96 96 GLY N N 112.267 0.300 1
929 97 97 GLY H H 8.282 0.030 1
930 97 97 GLY HA2 H 3.542 0.030 2
931 97 97 GLY HA3 H 4.332 0.030 2
932 97 97 GLY C C 173.948 0.300 1
933 97 97 GLY CA C 44.336 0.300 1
934 97 97 GLY N N 106.324 0.300 1
935 98 98 ASP H H 7.127 0.030 1
936 98 98 ASP HA H 4.516 0.030 1
937 98 98 ASP HB2 H 2.580 0.030 2
938 98 98 ASP HB3 H 2.930 0.030 2
939 98 98 ASP C C 175.890 0.300 1
940 98 98 ASP CA C 53.605 0.300 1
941 98 98 ASP CB C 40.396 0.300 1
942 98 98 ASP N N 118.990 0.300 1
943 99 99 VAL H H 8.044 0.030 1
944 99 99 VAL HA H 3.843 0.030 1
945 99 99 VAL HB H 2.205 0.030 1
946 99 99 VAL HG1 H 1.130 0.030 1
947 99 99 VAL HG2 H 1.197 0.030 1
948 99 99 VAL C C 177.226 0.300 1
949 99 99 VAL CA C 64.783 0.300 1
950 99 99 VAL CB C 31.910 0.300 1
951 99 99 VAL CG1 C 23.367 0.300 2
952 99 99 VAL CG2 C 21.713 0.300 2
953 99 99 VAL N N 124.437 0.300 1
954 100 100 LYS H H 8.048 0.030 1
955 100 100 LYS HA H 4.204 0.030 1
956 100 100 LYS HB2 H 1.670 0.030 2
957 100 100 LYS HB3 H 1.931 0.030 2
958 100 100 LYS HE2 H 3.013 0.030 1
959 100 100 LYS HE3 H 3.013 0.030 1
960 100 100 LYS HG2 H 1.512 0.030 2
961 100 100 LYS HG3 H 1.684 0.030 2
962 100 100 LYS C C 179.484 0.300 1
963 100 100 LYS CA C 59.938 0.300 1
964 100 100 LYS CB C 32.385 0.300 1
965 100 100 LYS CD C 29.465 0.300 1
966 100 100 LYS CE C 42.068 0.300 1
967 100 100 LYS CG C 26.474 0.300 1
968 100 100 LYS N N 120.165 0.300 1
969 101 101 ALA H H 8.096 0.030 1
970 101 101 ALA HA H 3.787 0.030 1
971 101 101 ALA HB H 1.470 0.030 1
972 101 101 ALA C C 179.095 0.300 1
973 101 101 ALA CA C 55.607 0.300 1
974 101 101 ALA CB C 19.443 0.300 1
975 101 101 ALA N N 122.650 0.300 1
976 102 102 LEU H H 7.998 0.030 1
977 102 102 LEU HA H 3.778 0.030 1
978 102 102 LEU HB2 H 1.774 0.030 2
979 102 102 LEU HB3 H 1.173 0.030 2
980 102 102 LEU HD1 H 0.699 0.030 1
981 102 102 LEU HD2 H 0.833 0.030 1
982 102 102 LEU HG H 1.436 0.030 1
983 102 102 LEU C C 178.173 0.300 1
984 102 102 LEU CA C 58.334 0.300 1
985 102 102 LEU CB C 44.156 0.300 1
986 102 102 LEU CD1 C 25.335 0.300 2
987 102 102 LEU CD2 C 24.531 0.300 2
988 102 102 LEU CG C 27.559 0.300 1
989 102 102 LEU N N 119.476 0.300 1
990 103 103 TYR H H 8.441 0.030 1
991 103 103 TYR HA H 4.068 0.030 1
992 103 103 TYR HB2 H 3.217 0.030 2
993 103 103 TYR HB3 H 3.018 0.030 2
994 103 103 TYR HD1 H 7.077 0.030 1
995 103 103 TYR HD2 H 7.077 0.030 1
996 103 103 TYR HE1 H 6.705 0.030 1
997 103 103 TYR HE2 H 6.705 0.030 1
998 103 103 TYR C C 179.872 0.300 1
999 103 103 TYR CA C 60.619 0.300 1
1000 103 103 TYR CB C 38.409 0.300 1
1001 103 103 TYR CD1 C 132.882 0.300 1
1002 103 103 TYR CD2 C 132.882 0.300 1
1003 103 103 TYR CE1 C 117.953 0.300 1
1004 103 103 TYR CE2 C 117.953 0.300 1
1005 103 103 TYR N N 119.662 0.300 1
1006 104 104 ARG H H 8.264 0.030 1
1007 104 104 ARG HA H 4.000 0.030 1
1008 104 104 ARG HB2 H 1.618 0.030 2
1009 104 104 ARG HD2 H 3.126 0.030 2
1010 104 104 ARG HD3 H 2.809 0.030 2
1011 104 104 ARG HG2 H 1.945 0.030 2
1012 104 104 ARG C C 178.148 0.300 1
1013 104 104 ARG CA C 58.998 0.300 1
1014 104 104 ARG CB C 29.461 0.300 1
1015 104 104 ARG CD C 43.793 0.300 1
1016 104 104 ARG CG C 27.973 0.300 1
1017 104 104 ARG N N 119.395 0.300 1
1018 105 105 ARG H H 8.768 0.030 1
1019 105 105 ARG HA H 3.611 0.030 1
1020 105 105 ARG HB2 H 2.533 0.030 2
1021 105 105 ARG HB3 H 1.529 0.030 2
1022 105 105 ARG HD2 H 3.408 0.030 2
1023 105 105 ARG HD3 H 2.772 0.030 2
1024 105 105 ARG HE H 10.302 0.030 1
1025 105 105 ARG HG2 H 1.992 0.030 2
1026 105 105 ARG HG3 H 1.507 0.030 2
1027 105 105 ARG C C 178.828 0.300 1
1028 105 105 ARG CA C 62.085 0.300 1
1029 105 105 ARG CB C 29.985 0.300 1
1030 105 105 ARG CD C 45.307 0.300 1
1031 105 105 ARG CG C 28.250 0.300 1
1032 105 105 ARG N N 120.101 0.300 1
1033 105 105 ARG NE N 86.181 0.300 1
1034 106 106 SER H H 8.566 0.030 1
1035 106 106 SER HB2 H 3.950 0.030 2
1036 106 106 SER HB3 H 4.143 0.030 2
1037 106 106 SER CB C 62.975 0.300 1
1038 106 106 SER N N 116.418 0.300 1
1039 107 107 GLN H H 7.400 0.030 1
1040 107 107 GLN HA H 3.988 0.030 1
1041 107 107 GLN HB2 H 1.872 0.030 2
1042 107 107 GLN HB3 H 2.256 0.030 2
1043 107 107 GLN HE21 H 6.590 0.030 2
1044 107 107 GLN HE22 H 6.561 0.030 2
1045 107 107 GLN HG2 H 1.934 0.030 2
1046 107 107 GLN HG3 H 1.885 0.030 2
1047 107 107 GLN C C 178.998 0.300 1
1048 107 107 GLN CA C 58.821 0.300 1
1049 107 107 GLN CB C 29.949 0.300 1
1050 107 107 GLN CG C 34.651 0.300 1
1051 107 107 GLN N N 121.593 0.300 1
1052 107 107 GLN NE2 N 110.898 0.300 1
1053 108 108 ALA H H 7.676 0.030 1
1054 108 108 ALA HA H 3.877 0.030 1
1055 108 108 ALA HB H 1.624 0.030 1
1056 108 108 ALA C C 178.658 0.300 1
1057 108 108 ALA CA C 55.297 0.300 1
1058 108 108 ALA CB C 18.406 0.300 1
1059 108 108 ALA N N 122.183 0.300 1
1060 109 109 LEU H H 8.962 0.030 1
1061 109 109 LEU HA H 3.807 0.030 1
1062 109 109 LEU HB2 H 1.732 0.030 2
1063 109 109 LEU HB3 H 1.561 0.030 2
1064 109 109 LEU HD1 H 0.708 0.030 1
1065 109 109 LEU HD2 H 0.823 0.030 1
1066 109 109 LEU HG H 1.722 0.030 1
1067 109 109 LEU C C 179.290 0.300 1
1068 109 109 LEU CA C 57.940 0.300 1
1069 109 109 LEU CB C 41.467 0.300 1
1070 109 109 LEU CD1 C 26.970 0.300 2
1071 109 109 LEU CD2 C 23.137 0.300 2
1072 109 109 LEU CG C 26.757 0.300 1
1073 109 109 LEU N N 116.438 0.300 1
1074 110 110 GLU H H 8.195 0.030 1
1075 110 110 GLU HA H 3.620 0.030 1
1076 110 110 GLU HB2 H 2.050 0.030 2
1077 110 110 GLU HB3 H 1.903 0.030 2
1078 110 110 GLU HG2 H 2.255 0.030 2
1079 110 110 GLU HG3 H 1.920 0.030 2
1080 110 110 GLU C C 180.067 0.300 1
1081 110 110 GLU CA C 60.225 0.300 1
1082 110 110 GLU CB C 29.464 0.300 1
1083 110 110 GLU CG C 36.000 0.300 1
1084 110 110 GLU N N 119.420 0.300 1
1085 111 111 LYS H H 7.065 0.030 1
1086 111 111 LYS HA H 3.804 0.030 1
1087 111 111 LYS HB2 H 1.162 0.030 2
1088 111 111 LYS HB3 H 0.636 0.030 2
1089 111 111 LYS HD2 H 1.473 0.030 2
1090 111 111 LYS HD3 H 1.227 0.030 2
1091 111 111 LYS HE2 H 2.931 0.030 2
1092 111 111 LYS HE3 H 2.814 0.030 2
1093 111 111 LYS HG2 H 1.181 0.030 2
1094 111 111 LYS HG3 H 0.630 0.030 2
1095 111 111 LYS C C 178.780 0.300 1
1096 111 111 LYS CA C 57.059 0.300 1
1097 111 111 LYS CB C 30.776 0.300 1
1098 111 111 LYS CD C 27.850 0.300 1
1099 111 111 LYS CE C 42.242 0.300 1
1100 111 111 LYS CG C 24.699 0.300 1
1101 111 111 LYS N N 119.349 0.300 1
1102 112 112 LEU H H 7.689 0.030 1
1103 112 112 LEU HA H 4.268 0.030 1
1104 112 112 LEU HB2 H 1.739 0.030 2
1105 112 112 LEU HB3 H 1.636 0.030 2
1106 112 112 LEU HD1 H 0.738 0.030 1
1107 112 112 LEU HD2 H 0.934 0.030 1
1108 112 112 LEU HG H 1.688 0.030 1
1109 112 112 LEU C C 177.056 0.300 1
1110 112 112 LEU CA C 55.123 0.300 1
1111 112 112 LEU CB C 43.033 0.300 1
1112 112 112 LEU CD1 C 25.235 0.300 2
1113 112 112 LEU CD2 C 23.014 0.300 2
1114 112 112 LEU CG C 26.200 0.300 1
1115 112 112 LEU N N 118.545 0.300 1
1116 113 113 GLY H H 7.742 0.030 1
1117 113 113 GLY HA2 H 3.690 0.030 2
1118 113 113 GLY HA3 H 4.205 0.030 2
1119 113 113 GLY C C 174.846 0.300 1
1120 113 113 GLY CA C 45.570 0.300 1
1121 113 113 GLY N N 107.623 0.300 1
1122 114 114 ARG H H 8.136 0.030 1
1123 114 114 ARG HA H 4.680 0.030 1
1124 114 114 ARG HB2 H 1.929 0.030 2
1125 114 114 ARG HB3 H 1.579 0.030 2
1126 114 114 ARG HD2 H 3.097 0.030 1
1127 114 114 ARG HD3 H 3.097 0.030 1
1128 114 114 ARG HG2 H 1.575 0.030 2
1129 114 114 ARG HG3 H 1.451 0.030 2
1130 114 114 ARG C C 176.352 0.300 1
1131 114 114 ARG CA C 54.028 0.300 1
1132 114 114 ARG CB C 28.770 0.300 1
1133 114 114 ARG CD C 44.237 0.300 1
1134 114 114 ARG CG C 26.561 0.300 1
1135 114 114 ARG N N 124.140 0.300 1
1136 115 115 LEU H H 7.558 0.030 1
1137 115 115 LEU HA H 3.737 0.030 1
1138 115 115 LEU HB2 H 1.777 0.030 2
1139 115 115 LEU HB3 H 1.584 0.030 2
1140 115 115 LEU HD1 H 0.979 0.030 1
1141 115 115 LEU HD2 H 0.907 0.030 1
1142 115 115 LEU HG H 1.652 0.030 1
1143 115 115 LEU C C 178.270 0.300 1
1144 115 115 LEU CA C 58.325 0.300 1
1145 115 115 LEU CB C 41.320 0.300 1
1146 115 115 LEU CD1 C 24.941 0.300 2
1147 115 115 LEU CD2 C 23.756 0.300 2
1148 115 115 LEU CG C 27.993 0.300 1
1149 115 115 LEU N N 120.893 0.300 1
1150 116 116 ASP H H 8.557 0.030 1
1151 116 116 ASP HA H 4.200 0.030 1
1152 116 116 ASP HB2 H 2.703 0.030 2
1153 116 116 ASP HB3 H 2.595 0.030 2
1154 116 116 ASP C C 179.120 0.300 1
1155 116 116 ASP CA C 57.024 0.300 1
1156 116 116 ASP CB C 38.941 0.300 1
1157 116 116 ASP N N 117.243 0.300 1
1158 117 117 GLN H H 7.816 0.030 1
1159 117 117 GLN HA H 3.937 0.030 1
1160 117 117 GLN HB2 H 2.004 0.030 2
1161 117 117 GLN HB3 H 2.068 0.030 2
1162 117 117 GLN HE21 H 7.590 0.030 2
1163 117 117 GLN HE22 H 6.918 0.030 2
1164 117 117 GLN HG2 H 2.330 0.030 1
1165 117 117 GLN HG3 H 2.330 0.030 1
1166 117 117 GLN C C 177.833 0.300 1
1167 117 117 GLN CA C 58.154 0.300 1
1168 117 117 GLN CB C 28.708 0.300 1
1169 117 117 GLN CG C 34.492 0.300 1
1170 117 117 GLN N N 119.514 0.300 1
1171 117 117 GLN NE2 N 113.509 0.300 1
1172 118 118 ALA H H 8.036 0.030 1
1173 118 118 ALA HA H 3.835 0.030 1
1174 118 118 ALA HB H 1.474 0.030 1
1175 118 118 ALA C C 179.557 0.300 1
1176 118 118 ALA CA C 55.850 0.300 1
1177 118 118 ALA CB C 18.326 0.300 1
1178 118 118 ALA N N 123.842 0.300 1
1179 119 119 VAL H H 8.236 0.030 1
1180 119 119 VAL HA H 3.447 0.030 1
1181 119 119 VAL HB H 2.140 0.030 1
1182 119 119 VAL HG1 H 0.854 0.030 1
1183 119 119 VAL HG2 H 1.044 0.030 1
1184 119 119 VAL C C 177.371 0.300 1
1185 119 119 VAL CA C 67.058 0.300 1
1186 119 119 VAL CB C 31.845 0.300 1
1187 119 119 VAL CG1 C 21.143 0.300 2
1188 119 119 VAL CG2 C 23.909 0.300 2
1189 119 119 VAL N N 116.905 0.300 1
1190 120 120 LEU H H 7.165 0.030 1
1191 120 120 LEU HA H 4.060 0.030 1
1192 120 120 LEU HB2 H 1.913 0.030 2
1193 120 120 LEU HB3 H 1.485 0.030 2
1194 120 120 LEU HD1 H 0.876 0.030 1
1195 120 120 LEU HD2 H 0.868 0.030 1
1196 120 120 LEU HG H 1.799 0.030 1
1197 120 120 LEU C C 180.577 0.300 1
1198 120 120 LEU CA C 58.222 0.300 1
1199 120 120 LEU CB C 41.446 0.300 1
1200 120 120 LEU CD1 C 25.410 0.300 2
1201 120 120 LEU CD2 C 22.872 0.300 2
1202 120 120 LEU CG C 26.653 0.300 1
1203 120 120 LEU N N 119.191 0.300 1
1204 121 121 ASP H H 7.639 0.030 1
1205 121 121 ASP HA H 4.390 0.030 1
1206 121 121 ASP HB2 H 2.563 0.030 1
1207 121 121 ASP HB3 H 2.563 0.030 1
1208 121 121 ASP C C 179.393 0.300 1
1209 121 121 ASP CA C 57.914 0.300 1
1210 121 121 ASP CB C 40.250 0.300 1
1211 121 121 ASP N N 120.801 0.300 1
1212 122 122 LEU H H 8.090 0.030 1
1213 122 122 LEU HA H 3.987 0.030 1
1214 122 122 LEU HB2 H 2.022 0.030 2
1215 122 122 LEU HB3 H 1.328 0.030 2
1216 122 122 LEU HD1 H 0.836 0.030 1
1217 122 122 LEU HD2 H 1.128 0.030 1
1218 122 122 LEU HG H 1.808 0.030 1
1219 122 122 LEU C C 179.338 0.300 1
1220 122 122 LEU CA C 58.429 0.300 1
1221 122 122 LEU CB C 43.630 0.300 1
1222 122 122 LEU CD1 C 25.532 0.300 2
1223 122 122 LEU CD2 C 23.421 0.300 2
1224 122 122 LEU CG C 28.098 0.300 1
1225 122 122 LEU N N 121.094 0.300 1
1226 123 123 GLN H H 9.058 0.030 1
1227 123 123 GLN HA H 3.931 0.030 1
1228 123 123 GLN HB2 H 2.320 0.030 2
1229 123 123 GLN HB3 H 1.945 0.030 2
1230 123 123 GLN HE21 H 7.182 0.030 2
1231 123 123 GLN HE22 H 6.633 0.030 2
1232 123 123 GLN HG2 H 2.661 0.030 2
1233 123 123 GLN HG3 H 2.334 0.030 2
1234 123 123 GLN C C 179.848 0.300 1
1235 123 123 GLN CA C 59.291 0.300 1
1236 123 123 GLN CB C 27.853 0.300 1
1237 123 123 GLN CG C 34.868 0.300 1
1238 123 123 GLN N N 119.132 0.300 1
1239 123 123 GLN NE2 N 110.000 0.300 1
1240 124 124 ARG H H 7.764 0.030 1
1241 124 124 ARG HA H 4.104 0.030 1
1242 124 124 ARG HB2 H 2.083 0.030 1
1243 124 124 ARG HB3 H 2.083 0.030 1
1244 124 124 ARG HD2 H 3.260 0.030 2
1245 124 124 ARG HD3 H 3.164 0.030 2
1246 124 124 ARG HE H 7.256 0.030 1
1247 124 124 ARG HG2 H 1.824 0.030 2
1248 124 124 ARG HG3 H 1.640 0.030 2
1249 124 124 ARG C C 178.853 0.300 1
1250 124 124 ARG CA C 59.291 0.300 1
1251 124 124 ARG CB C 29.457 0.300 1
1252 124 124 ARG CD C 43.566 0.300 1
1253 124 124 ARG CG C 27.404 0.300 1
1254 124 124 ARG N N 121.212 0.300 1
1255 124 124 ARG NE N 84.478 0.300 1
1256 125 125 CYS H H 8.091 0.030 1
1257 125 125 CYS HA H 3.707 0.030 1
1258 125 125 CYS HB2 H 2.891 0.030 2
1259 125 125 CYS HB3 H 1.451 0.030 2
1260 125 125 CYS C C 176.109 0.300 1
1261 125 125 CYS CA C 65.369 0.300 1
1262 125 125 CYS CB C 24.867 0.300 1
1263 125 125 CYS N N 118.779 0.300 1
1264 126 126 VAL H H 8.133 0.030 1
1265 126 126 VAL HA H 3.843 0.030 1
1266 126 126 VAL HB H 2.076 0.030 1
1267 126 126 VAL HG1 H 0.971 0.030 1
1268 126 126 VAL HG2 H 1.036 0.030 1
1269 126 126 VAL C C 177.420 0.300 1
1270 126 126 VAL CA C 65.169 0.300 1
1271 126 126 VAL CB C 32.061 0.300 1
1272 126 126 VAL CG1 C 21.172 0.300 2
1273 126 126 VAL CG2 C 22.672 0.300 2
1274 126 126 VAL N N 116.806 0.300 1
1275 127 127 SER H H 7.624 0.030 1
1276 127 127 SER HA H 4.181 0.030 1
1277 127 127 SER HB2 H 3.977 0.030 1
1278 127 127 SER HB3 H 3.977 0.030 1
1279 127 127 SER C C 176.497 0.300 1
1280 127 127 SER CA C 61.218 0.300 1
1281 127 127 SER CB C 63.254 0.300 1
1282 127 127 SER N N 113.316 0.300 1
1283 128 128 LEU H H 7.765 0.030 1
1284 128 128 LEU HA H 4.268 0.030 1
1285 128 128 LEU HB2 H 1.498 0.030 2
1286 128 128 LEU HB3 H 1.849 0.030 2
1287 128 128 LEU HD1 H 0.776 0.030 1
1288 128 128 LEU HD2 H 0.931 0.030 1
1289 128 128 LEU HG H 1.760 0.030 1
1290 128 128 LEU C C 178.294 0.300 1
1291 128 128 LEU CA C 56.918 0.300 1
1292 128 128 LEU CB C 43.029 0.300 1
1293 128 128 LEU CD1 C 25.585 0.300 2
1294 128 128 LEU CD2 C 22.657 0.300 2
1295 128 128 LEU CG C 27.372 0.300 1
1296 128 128 LEU N N 120.746 0.300 1
1297 129 129 GLU H H 8.239 0.030 1
1298 129 129 GLU HA H 4.911 0.030 1
1299 129 129 GLU HB2 H 2.369 0.030 2
1300 129 129 GLU HB3 H 2.128 0.030 2
1301 129 129 GLU HG2 H 2.389 0.030 2
1302 129 129 GLU HG3 H 2.329 0.030 2
1303 129 129 GLU C C 173.826 0.300 1
1304 129 129 GLU CA C 54.479 0.300 1
1305 129 129 GLU CB C 31.194 0.300 1
1306 129 129 GLU CG C 37.113 0.300 1
1307 129 129 GLU N N 119.586 0.300 1
1308 130 130 PRO HA H 4.822 0.030 1
1309 130 130 PRO HB2 H 2.472 0.030 2
1310 130 130 PRO HB3 H 1.916 0.030 2
1311 130 130 PRO HD2 H 3.662 0.030 2
1312 130 130 PRO HD3 H 3.411 0.030 2
1313 130 130 PRO HG2 H 2.089 0.030 2
1314 130 130 PRO HG3 H 1.903 0.030 2
1315 130 130 PRO C C 178.367 0.300 1
1316 130 130 PRO CA C 65.024 0.300 1
1317 130 130 PRO CB C 32.646 0.300 1
1318 130 130 PRO CD C 50.377 0.300 1
1319 130 130 PRO CG C 27.213 0.300 1
1320 131 131 LYS H H 8.517 0.030 1
1321 131 131 LYS HA H 4.378 0.030 1
1322 131 131 LYS HB2 H 1.733 0.030 2
1323 131 131 LYS HB3 H 2.007 0.030 2
1324 131 131 LYS HD2 H 1.661 0.030 1
1325 131 131 LYS HD3 H 1.661 0.030 1
1326 131 131 LYS HE2 H 2.874 0.030 2
1327 131 131 LYS HG2 H 1.445 0.030 2
1328 131 131 LYS HG3 H 1.360 0.030 2
1329 131 131 LYS C C 176.473 0.300 1
1330 131 131 LYS CA C 55.360 0.300 1
1331 131 131 LYS CB C 31.768 0.300 1
1332 131 131 LYS CD C 28.937 0.300 1
1333 131 131 LYS CE C 42.122 0.300 1
1334 131 131 LYS CG C 25.326 0.300 1
1335 131 131 LYS N N 115.196 0.300 1
1336 132 132 ASN H H 7.599 0.030 1
1337 132 132 ASN HA H 4.413 0.030 1
1338 132 132 ASN HB2 H 3.026 0.030 2
1339 132 132 ASN HB3 H 2.586 0.030 2
1340 132 132 ASN HD21 H 7.209 0.030 2
1341 132 132 ASN HD22 H 6.030 0.030 2
1342 132 132 ASN C C 176.376 0.300 1
1343 132 132 ASN CA C 53.535 0.300 1
1344 132 132 ASN CB C 38.612 0.300 1
1345 132 132 ASN N N 118.453 0.300 1
1346 132 132 ASN ND2 N 113.737 0.300 1
1347 133 133 LYS H H 8.829 0.030 1
1348 133 133 LYS HA H 3.850 0.030 1
1349 133 133 LYS HB2 H 1.851 0.030 2
1350 133 133 LYS HB3 H 1.803 0.030 2
1351 133 133 LYS HD2 H 1.654 0.030 2
1352 133 133 LYS HE2 H 2.961 0.030 2
1353 133 133 LYS HG2 H 1.549 0.030 2
1354 133 133 LYS HG3 H 1.440 0.030 2
1355 133 133 LYS C C 178.100 0.300 1
1356 133 133 LYS CA C 58.935 0.300 1
1357 133 133 LYS CB C 32.575 0.300 1
1358 133 133 LYS CD C 29.051 0.300 1
1359 133 133 LYS CE C 42.069 0.300 1
1360 133 133 LYS CG C 25.097 0.300 1
1361 133 133 LYS N N 129.035 0.300 1
1362 134 134 VAL H H 7.699 0.030 1
1363 134 134 VAL HA H 3.597 0.030 1
1364 134 134 VAL HB H 1.636 0.030 1
1365 134 134 VAL HG1 H 0.843 0.030 1
1366 134 134 VAL HG2 H 0.627 0.030 1
1367 134 134 VAL C C 179.654 0.300 1
1368 134 134 VAL CA C 66.054 0.300 1
1369 134 134 VAL CB C 30.974 0.300 1
1370 134 134 VAL CG1 C 22.410 0.300 2
1371 134 134 VAL CG2 C 20.560 0.300 2
1372 134 134 VAL N N 120.164 0.300 1
1373 135 135 PHE H H 6.854 0.030 1
1374 135 135 PHE HA H 4.454 0.030 1
1375 135 135 PHE HB2 H 3.140 0.030 1
1376 135 135 PHE HB3 H 3.140 0.030 1
1377 135 135 PHE HD1 H 6.795 0.030 1
1378 135 135 PHE HD2 H 6.795 0.030 1
1379 135 135 PHE HE1 H 6.858 0.030 1
1380 135 135 PHE HE2 H 6.858 0.030 1
1381 135 135 PHE HZ H 6.947 0.030 1
1382 135 135 PHE C C 177.371 0.300 1
1383 135 135 PHE CA C 57.095 0.300 1
1384 135 135 PHE CB C 37.183 0.300 1
1385 135 135 PHE CD1 C 129.748 0.300 1
1386 135 135 PHE CD2 C 129.748 0.300 1
1387 135 135 PHE CE1 C 132.016 0.300 1
1388 135 135 PHE CE2 C 132.016 0.300 1
1389 135 135 PHE CZ C 129.970 0.300 1
1390 135 135 PHE N N 117.729 0.300 1
1391 136 136 GLN H H 7.249 0.030 1
1392 136 136 GLN HA H 3.928 0.030 1
1393 136 136 GLN HB2 H 2.195 0.030 2
1394 136 136 GLN HB3 H 2.033 0.030 2
1395 136 136 GLN HE21 H 7.635 0.030 2
1396 136 136 GLN HE22 H 6.777 0.030 2
1397 136 136 GLN HG2 H 2.613 0.030 2
1398 136 136 GLN HG3 H 2.464 0.030 2
1399 136 136 GLN C C 179.338 0.300 1
1400 136 136 GLN CA C 59.139 0.300 1
1401 136 136 GLN CB C 28.677 0.300 1
1402 136 136 GLN CG C 33.073 0.300 1
1403 136 136 GLN N N 116.159 0.300 1
1404 136 136 GLN NE2 N 111.715 0.300 1
1405 137 137 GLU H H 8.324 0.030 1
1406 137 137 GLU HA H 4.029 0.030 1
1407 137 137 GLU HB2 H 2.053 0.030 1
1408 137 137 GLU HB3 H 2.053 0.030 1
1409 137 137 GLU HG2 H 2.377 0.030 2
1410 137 137 GLU HG3 H 2.279 0.030 2
1411 137 137 GLU C C 178.173 0.300 1
1412 137 137 GLU CA C 59.280 0.300 1
1413 137 137 GLU CB C 29.345 0.300 1
1414 137 137 GLU CG C 36.203 0.300 1
1415 137 137 GLU N N 120.059 0.300 1
1416 138 138 ALA H H 8.086 0.030 1
1417 138 138 ALA HA H 4.248 0.030 1
1418 138 138 ALA HB H 1.792 0.030 1
1419 138 138 ALA C C 180.382 0.300 1
1420 138 138 ALA CA C 55.121 0.300 1
1421 138 138 ALA CB C 19.011 0.300 1
1422 138 138 ALA N N 122.038 0.300 1
1423 139 139 LEU H H 8.025 0.030 1
1424 139 139 LEU HA H 4.110 0.030 1
1425 139 139 LEU HB2 H 1.976 0.030 2
1426 139 139 LEU HB3 H 1.542 0.030 2
1427 139 139 LEU HD1 H 0.939 0.030 1
1428 139 139 LEU HD2 H 0.964 0.030 1
1429 139 139 LEU HG H 1.625 0.030 1
1430 139 139 LEU C C 179.120 0.300 1
1431 139 139 LEU CA C 57.588 0.300 1
1432 139 139 LEU CB C 41.765 0.300 1
1433 139 139 LEU CD1 C 26.683 0.300 2
1434 139 139 LEU CD2 C 24.073 0.300 2
1435 139 139 LEU CG C 27.298 0.300 1
1436 139 139 LEU N N 118.199 0.300 1
1437 140 140 ARG H H 7.986 0.030 1
1438 140 140 ARG HA H 4.028 0.030 1
1439 140 140 ARG HB2 H 1.938 0.030 1
1440 140 140 ARG HB3 H 1.938 0.030 1
1441 140 140 ARG HD2 H 3.230 0.030 1
1442 140 140 ARG HD3 H 3.230 0.030 1
1443 140 140 ARG HG2 H 1.762 0.030 2
1444 140 140 ARG HG3 H 1.647 0.030 2
1445 140 140 ARG C C 178.780 0.300 1
1446 140 140 ARG CA C 59.087 0.300 1
1447 140 140 ARG CB C 29.984 0.300 1
1448 140 140 ARG CD C 43.451 0.300 1
1449 140 140 ARG CG C 27.368 0.300 1
1450 140 140 ARG N N 120.534 0.300 1
1451 141 141 ASN H H 8.084 0.030 1
1452 141 141 ASN HA H 4.528 0.030 1
1453 141 141 ASN HB2 H 2.892 0.030 1
1454 141 141 ASN HB3 H 2.892 0.030 1
1455 141 141 ASN HD21 H 7.719 0.030 2
1456 141 141 ASN HD22 H 6.954 0.030 2
1457 141 141 ASN C C 176.886 0.300 1
1458 141 141 ASN CA C 55.407 0.300 1
1459 141 141 ASN CB C 38.791 0.300 1
1460 141 141 ASN N N 116.011 0.300 1
1461 141 141 ASN ND2 N 113.169 0.300 1
1462 142 142 ILE H H 7.447 0.030 1
1463 142 142 ILE HA H 4.330 0.030 1
1464 142 142 ILE HB H 1.924 0.030 1
1465 142 142 ILE HD1 H 0.755 0.030 1
1466 142 142 ILE HG12 H 1.497 0.030 2
1467 142 142 ILE HG13 H 1.273 0.030 2
1468 142 142 ILE HG2 H 0.928 0.030 1
1469 142 142 ILE C C 175.987 0.300 1
1470 142 142 ILE CA C 62.409 0.300 1
1471 142 142 ILE CB C 39.071 0.300 1
1472 142 142 ILE CD1 C 14.971 0.300 1
1473 142 142 ILE CG1 C 27.608 0.300 1
1474 142 142 ILE CG2 C 17.686 0.300 1
1475 142 142 ILE N N 115.101 0.300 1
1476 143 143 SER H H 7.816 0.030 1
1477 143 143 SER HA H 4.457 0.030 1
1478 143 143 SER HB2 H 3.922 0.030 2
1479 143 143 SER HB3 H 3.844 0.030 2
1480 143 143 SER C C 174.506 0.300 1
1481 143 143 SER CA C 59.244 0.300 1
1482 143 143 SER CB C 64.248 0.300 1
1483 143 143 SER N N 116.295 0.300 1
1484 144 144 GLY H H 8.001 0.030 1
1485 144 144 GLY HA2 H 4.165 0.030 2
1486 144 144 GLY HA3 H 4.113 0.030 2
1487 144 144 GLY C C 171.860 0.300 1
1488 144 144 GLY CA C 44.936 0.300 1
1489 144 144 GLY N N 110.080 0.300 1
1490 145 145 PRO HA H 4.459 0.030 1
1491 145 145 PRO HB2 H 1.981 0.030 2
1492 145 145 PRO HB3 H 2.287 0.030 2
1493 145 145 PRO HD2 H 3.637 0.030 1
1494 145 145 PRO HD3 H 3.637 0.030 1
1495 145 145 PRO HG2 H 2.023 0.030 1
1496 145 145 PRO HG3 H 2.023 0.030 1
1497 145 145 PRO C C 177.469 0.300 1
1498 145 145 PRO CA C 63.403 0.300 1
1499 145 145 PRO CB C 32.193 0.300 1
1500 145 145 PRO CD C 49.847 0.300 1
1501 145 145 PRO CG C 27.207 0.300 1
stop_
save_