data_11333
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the CHY zinc finger domain of the RING finger and CHY
zinc finger domain-containing protein 1 from Mus musculus
;
_BMRB_accession_number 11333
_BMRB_flat_file_name bmr11333.str
_Entry_type original
_Submission_date 2010-08-10
_Accession_date 2010-08-10
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Miyamoto K. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 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" 799
"13C chemical shifts" 573
"15N chemical shifts" 137
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-19 original author .
stop_
_Original_release_date 2011-08-19
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the CHY zinc finger domain of the RING finger and CHY
zinc finger domain-containing protein 1 from Mus musculus
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Miyamoto K. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 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 'RING finger and CHY zinc finger domain-containing protein 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CHY domian' $entity_1
'ZINC ION no.1' $ZN
'ZINC ION no.2' $ZN
'ZINC ION no.3' $ZN
'ZINC ION no.4' $ZN
'ZINC ION no.5' $ZN
'ZINC ION no.6' $ZN
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 'CHY domian'
_Molecular_mass .
_Mol_thiol_state 'free and other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 143
_Mol_residue_sequence
;
GSSGSSGGVRNLAQGPRGCE
HYDRACLLKAPCCDKLYTCR
LCHDTNEDHQLDRFKVKEVQ
CINCEKLQHAQQTCEDCSTL
FGEYYCSICHLFDKDKRQYH
CESCGICRIGPKEDFFHCLK
CNLCLTTNLRGKHKCIESGP
SSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLY 9 VAL 10 ARG
11 ASN 12 LEU 13 ALA 14 GLN 15 GLY
16 PRO 17 ARG 18 GLY 19 CYS 20 GLU
21 HIS 22 TYR 23 ASP 24 ARG 25 ALA
26 CYS 27 LEU 28 LEU 29 LYS 30 ALA
31 PRO 32 CYS 33 CYS 34 ASP 35 LYS
36 LEU 37 TYR 38 THR 39 CYS 40 ARG
41 LEU 42 CYS 43 HIS 44 ASP 45 THR
46 ASN 47 GLU 48 ASP 49 HIS 50 GLN
51 LEU 52 ASP 53 ARG 54 PHE 55 LYS
56 VAL 57 LYS 58 GLU 59 VAL 60 GLN
61 CYS 62 ILE 63 ASN 64 CYS 65 GLU
66 LYS 67 LEU 68 GLN 69 HIS 70 ALA
71 GLN 72 GLN 73 THR 74 CYS 75 GLU
76 ASP 77 CYS 78 SER 79 THR 80 LEU
81 PHE 82 GLY 83 GLU 84 TYR 85 TYR
86 CYS 87 SER 88 ILE 89 CYS 90 HIS
91 LEU 92 PHE 93 ASP 94 LYS 95 ASP
96 LYS 97 ARG 98 GLN 99 TYR 100 HIS
101 CYS 102 GLU 103 SER 104 CYS 105 GLY
106 ILE 107 CYS 108 ARG 109 ILE 110 GLY
111 PRO 112 LYS 113 GLU 114 ASP 115 PHE
116 PHE 117 HIS 118 CYS 119 LEU 120 LYS
121 CYS 122 ASN 123 LEU 124 CYS 125 LEU
126 THR 127 THR 128 ASN 129 LEU 130 ARG
131 GLY 132 LYS 133 HIS 134 LYS 135 CYS
136 ILE 137 GLU 138 SER 139 GLY 140 PRO
141 SER 142 SER 143 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
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 2DKT "Solution Structure Of The Chy Zinc Finger Domain Of The Ring Finger And Chy Zinc Finger Domain-Containing Protein 1 From Mus Mu" 100.00 143 100.00 100.00 9.77e-98
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030421-68
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.23mM CHY domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZNCl2;} 90%H2O, 10%D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.23 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'
ZnCl2 0.1 mM 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 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 0.9732
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer 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 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 'CHY domian'
_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 GLY HA2 H 3.986 0.030 1
2 8 8 GLY HA3 H 3.986 0.030 1
3 8 8 GLY C C 174.152 0.300 1
4 8 8 GLY CA C 45.189 0.300 1
5 9 9 VAL H H 8.041 0.030 1
6 9 9 VAL HA H 4.108 0.030 1
7 9 9 VAL HB H 2.075 0.030 1
8 9 9 VAL HG1 H 0.941 0.030 1
9 9 9 VAL HG2 H 0.932 0.030 1
10 9 9 VAL C C 176.298 0.300 1
11 9 9 VAL CA C 62.539 0.300 1
12 9 9 VAL CB C 32.804 0.300 1
13 9 9 VAL CG1 C 20.526 0.300 2
14 9 9 VAL CG2 C 21.256 0.300 2
15 9 9 VAL N N 119.556 0.300 1
16 10 10 ARG H H 8.430 0.030 1
17 10 10 ARG HA H 4.356 0.030 1
18 10 10 ARG HB2 H 1.748 0.030 2
19 10 10 ARG HB3 H 1.824 0.030 2
20 10 10 ARG HD2 H 3.205 0.030 1
21 10 10 ARG HD3 H 3.205 0.030 1
22 10 10 ARG HG2 H 1.598 0.030 2
23 10 10 ARG HG3 H 1.655 0.030 2
24 10 10 ARG C C 175.781 0.300 1
25 10 10 ARG CA C 56.025 0.300 1
26 10 10 ARG CB C 30.916 0.300 1
27 10 10 ARG CD C 43.426 0.300 1
28 10 10 ARG CG C 27.173 0.300 1
29 10 10 ARG N N 124.768 0.300 1
30 11 11 ASN H H 8.457 0.030 1
31 11 11 ASN HA H 4.716 0.030 1
32 11 11 ASN HB2 H 2.744 0.030 2
33 11 11 ASN HB3 H 2.848 0.030 2
34 11 11 ASN HD21 H 7.596 0.030 2
35 11 11 ASN HD22 H 6.912 0.030 2
36 11 11 ASN C C 175.157 0.300 1
37 11 11 ASN CA C 53.186 0.300 1
38 11 11 ASN CB C 38.846 0.300 1
39 11 11 ASN N N 120.360 0.300 1
40 11 11 ASN ND2 N 112.639 0.300 1
41 12 12 LEU H H 8.289 0.030 1
42 12 12 LEU HA H 4.305 0.030 1
43 12 12 LEU HB2 H 1.623 0.030 1
44 12 12 LEU HB3 H 1.623 0.030 1
45 12 12 LEU HD1 H 0.921 0.030 1
46 12 12 LEU HD2 H 0.865 0.030 1
47 12 12 LEU HG H 1.625 0.030 1
48 12 12 LEU C C 177.226 0.300 1
49 12 12 LEU CA C 55.361 0.300 1
50 12 12 LEU CB C 42.261 0.300 1
51 12 12 LEU CD1 C 25.041 0.300 2
52 12 12 LEU CD2 C 23.388 0.300 2
53 12 12 LEU CG C 26.939 0.300 1
54 12 12 LEU N N 123.172 0.300 1
55 13 13 ALA H H 8.251 0.030 1
56 13 13 ALA HA H 4.294 0.030 1
57 13 13 ALA HB H 1.392 0.030 1
58 13 13 ALA C C 177.587 0.300 1
59 13 13 ALA CA C 52.680 0.300 1
60 13 13 ALA CB C 19.043 0.300 1
61 13 13 ALA N N 124.276 0.300 1
62 14 14 GLN H H 8.213 0.030 1
63 14 14 GLN HA H 4.379 0.030 1
64 14 14 GLN HB2 H 1.991 0.030 2
65 14 14 GLN HB3 H 2.144 0.030 2
66 14 14 GLN HE21 H 6.859 0.030 2
67 14 14 GLN HE22 H 7.549 0.030 2
68 14 14 GLN HG2 H 2.377 0.030 1
69 14 14 GLN HG3 H 2.377 0.030 1
70 14 14 GLN C C 176.065 0.300 1
71 14 14 GLN CA C 55.773 0.300 1
72 14 14 GLN CB C 29.845 0.300 1
73 14 14 GLN CG C 33.943 0.300 1
74 14 14 GLN N N 119.138 0.300 1
75 14 14 GLN NE2 N 112.528 0.300 1
76 15 15 GLY H H 8.217 0.030 1
77 15 15 GLY HA2 H 4.210 0.030 2
78 15 15 GLY HA3 H 4.076 0.030 2
79 15 15 GLY C C 171.502 0.300 1
80 15 15 GLY CA C 44.656 0.300 1
81 15 15 GLY N N 110.283 0.300 1
82 16 16 PRO HA H 4.468 0.030 1
83 16 16 PRO HB2 H 2.285 0.030 2
84 16 16 PRO HB3 H 1.938 0.030 2
85 16 16 PRO HD2 H 3.659 0.030 1
86 16 16 PRO HD3 H 3.659 0.030 1
87 16 16 PRO HG2 H 2.031 0.030 1
88 16 16 PRO HG3 H 2.031 0.030 1
89 16 16 PRO C C 176.974 0.300 1
90 16 16 PRO CA C 63.335 0.300 1
91 16 16 PRO CB C 32.228 0.300 1
92 16 16 PRO CD C 49.845 0.300 1
93 16 16 PRO CG C 27.166 0.300 1
94 17 17 ARG H H 8.468 0.030 1
95 17 17 ARG HA H 4.479 0.030 1
96 17 17 ARG HB2 H 1.784 0.030 2
97 17 17 ARG HB3 H 1.939 0.030 2
98 17 17 ARG HD2 H 3.195 0.030 1
99 17 17 ARG HD3 H 3.195 0.030 1
100 17 17 ARG HG2 H 1.681 0.030 1
101 17 17 ARG HG3 H 1.681 0.030 1
102 17 17 ARG C C 175.990 0.300 1
103 17 17 ARG CA C 55.477 0.300 1
104 17 17 ARG CB C 31.338 0.300 1
105 17 17 ARG CD C 43.361 0.300 1
106 17 17 ARG CG C 27.196 0.300 1
107 17 17 ARG N N 120.750 0.300 1
108 18 18 GLY H H 8.186 0.030 1
109 18 18 GLY HA2 H 3.959 0.030 1
110 18 18 GLY HA3 H 3.959 0.030 1
111 18 18 GLY C C 172.613 0.300 1
112 18 18 GLY CA C 45.694 0.300 1
113 18 18 GLY N N 109.039 0.300 1
114 19 19 CYS H H 8.686 0.030 1
115 19 19 CYS HA H 5.023 0.030 1
116 19 19 CYS HB2 H 3.262 0.030 2
117 19 19 CYS HB3 H 2.988 0.030 2
118 19 19 CYS C C 175.308 0.300 1
119 19 19 CYS CA C 57.292 0.300 1
120 19 19 CYS CB C 33.374 0.300 1
121 19 19 CYS N N 120.202 0.300 1
122 20 20 GLU H H 8.768 0.030 1
123 20 20 GLU HA H 4.140 0.030 1
124 20 20 GLU HB2 H 1.729 0.030 1
125 20 20 GLU HB3 H 1.729 0.030 1
126 20 20 GLU HG2 H 1.552 0.030 2
127 20 20 GLU HG3 H 1.512 0.030 2
128 20 20 GLU C C 176.142 0.300 1
129 20 20 GLU CA C 56.851 0.300 1
130 20 20 GLU CB C 29.142 0.300 1
131 20 20 GLU CG C 34.631 0.300 1
132 20 20 GLU N N 116.666 0.300 1
133 21 21 HIS H H 9.308 0.030 1
134 21 21 HIS HA H 4.181 0.030 1
135 21 21 HIS HB2 H 2.650 0.030 2
136 21 21 HIS HB3 H 3.627 0.030 2
137 21 21 HIS HD2 H 7.112 0.030 1
138 21 21 HIS HE1 H 8.013 0.030 1
139 21 21 HIS C C 175.094 0.300 1
140 21 21 HIS CA C 59.286 0.300 1
141 21 21 HIS CB C 33.271 0.300 1
142 21 21 HIS CD2 C 119.015 0.300 1
143 21 21 HIS CE1 C 138.646 0.300 1
144 21 21 HIS N N 122.363 0.300 1
145 22 22 TYR H H 7.884 0.030 1
146 22 22 TYR HA H 4.774 0.030 1
147 22 22 TYR HB2 H 2.642 0.030 2
148 22 22 TYR HB3 H 3.459 0.030 2
149 22 22 TYR HD1 H 7.312 0.030 1
150 22 22 TYR HD2 H 7.312 0.030 1
151 22 22 TYR HE1 H 7.003 0.030 1
152 22 22 TYR HE2 H 7.003 0.030 1
153 22 22 TYR C C 173.005 0.300 1
154 22 22 TYR CA C 57.838 0.300 1
155 22 22 TYR CB C 45.257 0.300 1
156 22 22 TYR CD1 C 134.253 0.300 1
157 22 22 TYR CD2 C 134.253 0.300 1
158 22 22 TYR CE1 C 119.199 0.300 1
159 22 22 TYR CE2 C 119.199 0.300 1
160 22 22 TYR N N 114.825 0.300 1
161 23 23 ASP H H 8.450 0.030 1
162 23 23 ASP HA H 5.205 0.030 1
163 23 23 ASP HB2 H 3.015 0.030 2
164 23 23 ASP HB3 H 2.718 0.030 2
165 23 23 ASP C C 174.094 0.300 1
166 23 23 ASP CA C 53.373 0.300 1
167 23 23 ASP CB C 41.349 0.300 1
168 23 23 ASP N N 121.961 0.300 1
169 24 24 ARG H H 7.543 0.030 1
170 24 24 ARG HA H 5.333 0.030 1
171 24 24 ARG HB2 H 1.864 0.030 2
172 24 24 ARG HB3 H 2.200 0.030 2
173 24 24 ARG HD2 H 3.021 0.030 1
174 24 24 ARG HD3 H 3.021 0.030 1
175 24 24 ARG HE H 7.153 0.030 1
176 24 24 ARG HG2 H 1.765 0.030 2
177 24 24 ARG HG3 H 1.825 0.030 2
178 24 24 ARG C C 174.849 0.300 1
179 24 24 ARG CA C 54.292 0.300 1
180 24 24 ARG CB C 33.987 0.300 1
181 24 24 ARG CD C 44.465 0.300 1
182 24 24 ARG CG C 23.462 0.300 1
183 24 24 ARG N N 116.815 0.300 1
184 24 24 ARG NE N 90.031 0.300 1
185 25 25 ALA H H 8.925 0.030 1
186 25 25 ALA HA H 4.847 0.030 1
187 25 25 ALA HB H 1.591 0.030 1
188 25 25 ALA C C 173.734 0.300 1
189 25 25 ALA CA C 50.453 0.300 1
190 25 25 ALA CB C 19.218 0.300 1
191 25 25 ALA N N 121.560 0.300 1
192 26 26 CYS H H 6.868 0.030 1
193 26 26 CYS HA H 5.029 0.030 1
194 26 26 CYS HB2 H 1.749 0.030 2
195 26 26 CYS HB3 H 0.689 0.030 2
196 26 26 CYS C C 171.441 0.300 1
197 26 26 CYS CA C 53.167 0.300 1
198 26 26 CYS CB C 30.811 0.300 1
199 26 26 CYS N N 109.218 0.300 1
200 27 27 LEU H H 8.273 0.030 1
201 27 27 LEU HA H 4.594 0.030 1
202 27 27 LEU HB2 H 1.299 0.030 2
203 27 27 LEU HB3 H 1.047 0.030 2
204 27 27 LEU HD1 H 0.682 0.030 1
205 27 27 LEU HD2 H 0.728 0.030 1
206 27 27 LEU HG H 1.441 0.030 1
207 27 27 LEU C C 176.880 0.300 1
208 27 27 LEU CA C 53.054 0.300 1
209 27 27 LEU CB C 44.598 0.300 1
210 27 27 LEU CD1 C 24.420 0.300 2
211 27 27 LEU CD2 C 26.060 0.300 2
212 27 27 LEU CG C 27.232 0.300 1
213 27 27 LEU N N 115.799 0.300 1
214 28 28 LEU H H 8.811 0.030 1
215 28 28 LEU HA H 4.290 0.030 1
216 28 28 LEU HB2 H 1.781 0.030 2
217 28 28 LEU HB3 H 1.234 0.030 2
218 28 28 LEU HD1 H 0.933 0.030 1
219 28 28 LEU HD2 H 0.975 0.030 1
220 28 28 LEU HG H 1.858 0.030 1
221 28 28 LEU C C 175.600 0.300 1
222 28 28 LEU CA C 54.535 0.300 1
223 28 28 LEU CB C 42.775 0.300 1
224 28 28 LEU CD1 C 22.963 0.300 2
225 28 28 LEU CD2 C 26.646 0.300 2
226 28 28 LEU CG C 26.627 0.300 1
227 28 28 LEU N N 118.999 0.300 1
228 29 29 LYS H H 7.952 0.030 1
229 29 29 LYS HA H 4.599 0.030 1
230 29 29 LYS HB2 H 1.974 0.030 2
231 29 29 LYS HB3 H 0.973 0.030 2
232 29 29 LYS HD2 H 1.535 0.030 2
233 29 29 LYS HD3 H 1.456 0.030 2
234 29 29 LYS HE2 H 2.734 0.030 2
235 29 29 LYS HE3 H 2.830 0.030 2
236 29 29 LYS HG2 H 1.139 0.030 2
237 29 29 LYS HG3 H 0.897 0.030 2
238 29 29 LYS C C 174.999 0.300 1
239 29 29 LYS CA C 55.081 0.300 1
240 29 29 LYS CB C 32.415 0.300 1
241 29 29 LYS CD C 29.509 0.300 1
242 29 29 LYS CE C 42.201 0.300 1
243 29 29 LYS CG C 25.393 0.300 1
244 29 29 LYS N N 121.975 0.300 1
245 30 30 ALA H H 9.273 0.030 1
246 30 30 ALA HA H 4.470 0.030 1
247 30 30 ALA HB H 1.923 0.030 1
248 30 30 ALA C C 176.591 0.300 1
249 30 30 ALA CA C 50.089 0.300 1
250 30 30 ALA CB C 21.949 0.300 1
251 30 30 ALA N N 134.335 0.300 1
252 31 31 PRO HA H 4.620 0.030 1
253 31 31 PRO HB2 H 2.295 0.030 2
254 31 31 PRO HB3 H 2.098 0.030 2
255 31 31 PRO HD2 H 3.777 0.030 2
256 31 31 PRO HD3 H 4.310 0.030 2
257 31 31 PRO HG2 H 2.000 0.030 2
258 31 31 PRO HG3 H 2.097 0.030 2
259 31 31 PRO C C 175.754 0.300 1
260 31 31 PRO CA C 64.365 0.300 1
261 31 31 PRO CB C 31.631 0.300 1
262 31 31 PRO CD C 50.620 0.300 1
263 31 31 PRO CG C 26.866 0.300 1
264 32 32 CYS H H 8.764 0.030 1
265 32 32 CYS HA H 4.289 0.030 1
266 32 32 CYS HB2 H 3.167 0.030 2
267 32 32 CYS HB3 H 2.695 0.030 2
268 32 32 CYS C C 176.659 0.300 1
269 32 32 CYS CA C 54.278 0.300 1
270 32 32 CYS CB C 30.833 0.300 1
271 32 32 CYS N N 120.108 0.300 1
272 33 33 CYS H H 7.417 0.030 1
273 33 33 CYS HA H 4.868 0.030 1
274 33 33 CYS HB2 H 3.298 0.030 2
275 33 33 CYS HB3 H 2.864 0.030 2
276 33 33 CYS C C 174.909 0.300 1
277 33 33 CYS CA C 57.010 0.300 1
278 33 33 CYS CB C 31.382 0.300 1
279 33 33 CYS N N 114.996 0.300 1
280 34 34 ASP H H 8.381 0.030 1
281 34 34 ASP HA H 4.405 0.030 1
282 34 34 ASP HB2 H 2.990 0.030 2
283 34 34 ASP HB3 H 2.728 0.030 2
284 34 34 ASP C C 174.382 0.300 1
285 34 34 ASP CA C 56.466 0.300 1
286 34 34 ASP CB C 39.636 0.300 1
287 34 34 ASP N N 121.260 0.300 1
288 35 35 LYS H H 7.236 0.030 1
289 35 35 LYS HA H 4.419 0.030 1
290 35 35 LYS HB2 H 2.049 0.030 2
291 35 35 LYS HB3 H 1.627 0.030 2
292 35 35 LYS HD2 H 2.020 0.030 2
293 35 35 LYS HD3 H 1.710 0.030 2
294 35 35 LYS HE2 H 3.054 0.030 1
295 35 35 LYS HE3 H 3.054 0.030 1
296 35 35 LYS HG2 H 1.680 0.030 2
297 35 35 LYS HG3 H 1.300 0.030 2
298 35 35 LYS C C 175.447 0.300 1
299 35 35 LYS CA C 56.260 0.300 1
300 35 35 LYS CB C 36.910 0.300 1
301 35 35 LYS CD C 29.919 0.300 1
302 35 35 LYS CE C 42.425 0.300 1
303 35 35 LYS CG C 26.284 0.300 1
304 35 35 LYS N N 117.678 0.300 1
305 36 36 LEU H H 8.099 0.030 1
306 36 36 LEU HA H 5.253 0.030 1
307 36 36 LEU HB2 H 1.567 0.030 2
308 36 36 LEU HB3 H 1.001 0.030 2
309 36 36 LEU HD1 H 0.725 0.030 1
310 36 36 LEU HD2 H 0.519 0.030 1
311 36 36 LEU HG H 1.516 0.030 1
312 36 36 LEU C C 176.573 0.300 1
313 36 36 LEU CA C 53.355 0.300 1
314 36 36 LEU CB C 42.578 0.300 1
315 36 36 LEU CD1 C 25.874 0.300 2
316 36 36 LEU CD2 C 23.461 0.300 2
317 36 36 LEU CG C 27.232 0.300 1
318 36 36 LEU N N 120.580 0.300 1
319 37 37 TYR H H 8.800 0.030 1
320 37 37 TYR HA H 4.954 0.030 1
321 37 37 TYR HB2 H 3.183 0.030 2
322 37 37 TYR HB3 H 2.336 0.030 2
323 37 37 TYR HD1 H 7.084 0.030 1
324 37 37 TYR HD2 H 7.084 0.030 1
325 37 37 TYR HE1 H 6.747 0.030 1
326 37 37 TYR HE2 H 6.747 0.030 1
327 37 37 TYR C C 176.279 0.300 1
328 37 37 TYR CA C 57.616 0.300 1
329 37 37 TYR CB C 45.959 0.300 1
330 37 37 TYR CE1 C 119.432 0.300 1
331 37 37 TYR CE2 C 119.432 0.300 1
332 37 37 TYR N N 121.137 0.300 1
333 38 38 THR H H 9.451 0.030 1
334 38 38 THR HA H 4.071 0.030 1
335 38 38 THR HB H 4.517 0.030 1
336 38 38 THR HG2 H 1.476 0.030 1
337 38 38 THR C C 173.579 0.300 1
338 38 38 THR CA C 67.248 0.300 1
339 38 38 THR CB C 68.288 0.300 1
340 38 38 THR CG2 C 23.159 0.300 1
341 38 38 THR N N 116.835 0.300 1
342 39 39 CYS H H 7.298 0.030 1
343 39 39 CYS HA H 4.798 0.030 1
344 39 39 CYS HB2 H 2.988 0.030 2
345 39 39 CYS HB3 H 4.192 0.030 2
346 39 39 CYS C C 175.234 0.300 1
347 39 39 CYS CA C 56.879 0.300 1
348 39 39 CYS CB C 35.421 0.300 1
349 39 39 CYS N N 109.040 0.300 1
350 40 40 ARG H H 9.232 0.030 1
351 40 40 ARG HA H 3.956 0.030 1
352 40 40 ARG HB2 H 2.123 0.030 2
353 40 40 ARG HB3 H 1.536 0.030 2
354 40 40 ARG HD2 H 3.040 0.030 2
355 40 40 ARG HD3 H 3.172 0.030 2
356 40 40 ARG HG2 H 1.940 0.030 2
357 40 40 ARG HG3 H 1.419 0.030 2
358 40 40 ARG C C 175.147 0.300 1
359 40 40 ARG CA C 58.904 0.300 1
360 40 40 ARG CB C 29.578 0.300 1
361 40 40 ARG CD C 43.361 0.300 1
362 40 40 ARG CG C 27.387 0.300 1
363 40 40 ARG N N 121.898 0.300 1
364 41 41 LEU H H 9.168 0.030 1
365 41 41 LEU HA H 4.069 0.030 1
366 41 41 LEU HB2 H 0.771 0.030 2
367 41 41 LEU HB3 H 0.627 0.030 2
368 41 41 LEU HD1 H 0.730 0.030 1
369 41 41 LEU HD2 H 0.730 0.030 1
370 41 41 LEU HG H 1.549 0.030 1
371 41 41 LEU C C 181.072 0.300 1
372 41 41 LEU CA C 58.060 0.300 1
373 41 41 LEU CB C 39.022 0.300 1
374 41 41 LEU CD1 C 22.418 0.300 1
375 41 41 LEU CD2 C 22.418 0.300 1
376 41 41 LEU CG C 27.470 0.300 1
377 41 41 LEU N N 126.347 0.300 1
378 42 42 CYS H H 8.925 0.030 1
379 42 42 CYS HA H 4.136 0.030 1
380 42 42 CYS HB2 H 3.396 0.030 2
381 42 42 CYS HB3 H 3.346 0.030 2
382 42 42 CYS C C 177.395 0.300 1
383 42 42 CYS CA C 66.648 0.300 1
384 42 42 CYS CB C 28.879 0.300 1
385 42 42 CYS N N 126.650 0.300 1
386 43 43 HIS H H 7.607 0.030 1
387 43 43 HIS HA H 1.966 0.030 1
388 43 43 HIS HB2 H 2.360 0.030 2
389 43 43 HIS HB3 H 3.091 0.030 2
390 43 43 HIS HD2 H 6.504 0.030 1
391 43 43 HIS HE1 H 7.278 0.030 1
392 43 43 HIS C C 176.327 0.300 1
393 43 43 HIS CA C 58.923 0.300 1
394 43 43 HIS CB C 28.066 0.300 1
395 43 43 HIS CD2 C 126.771 0.300 1
396 43 43 HIS CE1 C 141.061 0.300 1
397 43 43 HIS N N 117.433 0.300 1
398 44 44 ASP H H 8.737 0.030 1
399 44 44 ASP HA H 4.113 0.030 1
400 44 44 ASP HB2 H 2.766 0.030 2
401 44 44 ASP HB3 H 2.695 0.030 2
402 44 44 ASP C C 177.693 0.300 1
403 44 44 ASP CA C 57.048 0.300 1
404 44 44 ASP CB C 39.329 0.300 1
405 44 44 ASP N N 119.029 0.300 1
406 45 45 THR H H 7.637 0.030 1
407 45 45 THR HA H 4.140 0.030 1
408 45 45 THR HB H 4.269 0.030 1
409 45 45 THR HG2 H 1.319 0.030 1
410 45 45 THR C C 174.482 0.300 1
411 45 45 THR CA C 64.743 0.300 1
412 45 45 THR CB C 69.670 0.300 1
413 45 45 THR CG2 C 21.368 0.300 1
414 45 45 THR N N 111.798 0.300 1
415 46 46 ASN H H 7.100 0.030 1
416 46 46 ASN HA H 4.810 0.030 1
417 46 46 ASN HB2 H 2.977 0.030 2
418 46 46 ASN HB3 H 2.620 0.030 2
419 46 46 ASN HD21 H 7.306 0.030 2
420 46 46 ASN HD22 H 8.006 0.030 2
421 46 46 ASN C C 173.787 0.300 1
422 46 46 ASN CA C 54.447 0.300 1
423 46 46 ASN CB C 42.766 0.300 1
424 46 46 ASN N N 118.183 0.300 1
425 46 46 ASN ND2 N 116.781 0.300 1
426 47 47 GLU H H 7.179 0.030 1
427 47 47 GLU HA H 4.527 0.030 1
428 47 47 GLU HB2 H 1.355 0.030 2
429 47 47 GLU HB3 H 0.677 0.030 2
430 47 47 GLU HG2 H 1.152 0.030 2
431 47 47 GLU HG3 H 1.728 0.030 2
432 47 47 GLU C C 175.614 0.300 1
433 47 47 GLU CA C 54.212 0.300 1
434 47 47 GLU CB C 32.384 0.300 1
435 47 47 GLU CG C 34.080 0.300 1
436 47 47 GLU N N 116.984 0.300 1
437 48 48 ASP H H 8.794 0.030 1
438 48 48 ASP HA H 4.531 0.030 1
439 48 48 ASP HB2 H 3.136 0.030 2
440 48 48 ASP HB3 H 2.622 0.030 2
441 48 48 ASP CA C 53.205 0.300 1
442 48 48 ASP CB C 40.397 0.300 1
443 49 49 HIS H H 6.900 0.030 1
444 49 49 HIS HA H 4.884 0.030 1
445 49 49 HIS HB2 H 3.166 0.030 2
446 49 49 HIS HB3 H 3.234 0.030 2
447 49 49 HIS HD2 H 7.077 0.030 1
448 49 49 HIS HE1 H 8.075 0.030 1
449 49 49 HIS CA C 54.124 0.300 1
450 49 49 HIS CB C 30.752 0.300 1
451 49 49 HIS CD2 C 127.591 0.300 1
452 49 49 HIS CE1 C 140.315 0.300 1
453 49 49 HIS N N 113.627 0.300 1
454 50 50 GLN H H 8.742 0.030 1
455 50 50 GLN HA H 4.810 0.030 1
456 50 50 GLN HB2 H 1.937 0.030 2
457 50 50 GLN HB3 H 2.002 0.030 2
458 50 50 GLN HE21 H 6.819 0.030 2
459 50 50 GLN HE22 H 7.496 0.030 2
460 50 50 GLN HG2 H 2.232 0.030 2
461 50 50 GLN HG3 H 2.342 0.030 2
462 50 50 GLN CA C 55.058 0.300 1
463 50 50 GLN CB C 31.045 0.300 1
464 50 50 GLN CG C 35.109 0.300 1
465 50 50 GLN N N 119.729 0.300 1
466 50 50 GLN NE2 N 112.006 0.300 1
467 51 51 LEU H H 9.685 0.030 1
468 51 51 LEU HA H 4.175 0.030 1
469 51 51 LEU HB2 H 1.336 0.030 2
470 51 51 LEU HB3 H -0.166 0.030 2
471 51 51 LEU HD1 H 0.627 0.030 1
472 51 51 LEU HD2 H 0.503 0.030 1
473 51 51 LEU HG H 1.119 0.030 1
474 51 51 LEU CA C 55.409 0.300 1
475 51 51 LEU CB C 41.547 0.300 1
476 51 51 LEU CD1 C 26.166 0.300 2
477 51 51 LEU CD2 C 25.007 0.300 2
478 51 51 LEU CG C 27.354 0.300 1
479 51 51 LEU N N 128.205 0.300 1
480 52 52 ASP H H 9.325 0.030 1
481 52 52 ASP HA H 4.757 0.030 1
482 52 52 ASP HB2 H 2.964 0.030 2
483 52 52 ASP HB3 H 2.610 0.030 2
484 52 52 ASP C C 176.481 0.300 1
485 52 52 ASP CA C 52.855 0.300 1
486 52 52 ASP CB C 39.821 0.300 1
487 52 52 ASP N N 128.869 0.300 1
488 53 53 ARG H H 8.538 0.030 1
489 53 53 ARG HA H 3.826 0.030 1
490 53 53 ARG HB2 H 2.479 0.030 2
491 53 53 ARG HB3 H 1.249 0.030 2
492 53 53 ARG HD2 H 2.877 0.030 2
493 53 53 ARG HD3 H 2.958 0.030 2
494 53 53 ARG HE H 6.830 0.030 1
495 53 53 ARG HG2 H 0.609 0.030 2
496 53 53 ARG HG3 H 0.782 0.030 2
497 53 53 ARG C C 176.319 0.300 1
498 53 53 ARG CA C 57.795 0.300 1
499 53 53 ARG CB C 28.870 0.300 1
500 53 53 ARG CD C 44.229 0.300 1
501 53 53 ARG CG C 23.963 0.300 1
502 53 53 ARG N N 125.882 0.300 1
503 53 53 ARG NE N 82.736 0.300 1
504 54 54 PHE H H 8.008 0.030 1
505 54 54 PHE HA H 4.702 0.030 1
506 54 54 PHE HB2 H 3.437 0.030 2
507 54 54 PHE HB3 H 3.186 0.030 2
508 54 54 PHE HD1 H 7.568 0.030 1
509 54 54 PHE HD2 H 7.568 0.030 1
510 54 54 PHE HE1 H 7.612 0.030 1
511 54 54 PHE HE2 H 7.612 0.030 1
512 54 54 PHE HZ H 7.425 0.030 1
513 54 54 PHE C C 177.606 0.300 1
514 54 54 PHE CA C 59.242 0.300 1
515 54 54 PHE CB C 37.749 0.300 1
516 54 54 PHE CD1 C 132.215 0.300 1
517 54 54 PHE CD2 C 132.215 0.300 1
518 54 54 PHE CE1 C 132.215 0.300 1
519 54 54 PHE CE2 C 132.215 0.300 1
520 54 54 PHE CZ C 130.456 0.300 1
521 54 54 PHE N N 120.233 0.300 1
522 55 55 LYS H H 7.688 0.030 1
523 55 55 LYS HA H 4.378 0.030 1
524 55 55 LYS HB2 H 2.068 0.030 2
525 55 55 LYS HB3 H 1.770 0.030 2
526 55 55 LYS HD2 H 1.718 0.030 1
527 55 55 LYS HD3 H 1.718 0.030 1
528 55 55 LYS HE2 H 3.060 0.030 1
529 55 55 LYS HE3 H 3.060 0.030 1
530 55 55 LYS HG2 H 1.566 0.030 2
531 55 55 LYS HG3 H 1.374 0.030 2
532 55 55 LYS C C 175.953 0.300 1
533 55 55 LYS CA C 55.712 0.300 1
534 55 55 LYS CB C 33.621 0.300 1
535 55 55 LYS CD C 29.049 0.300 1
536 55 55 LYS CE C 42.272 0.300 1
537 55 55 LYS CG C 25.838 0.300 1
538 55 55 LYS N N 117.138 0.300 1
539 56 56 VAL H H 6.518 0.030 1
540 56 56 VAL HA H 3.366 0.030 1
541 56 56 VAL HB H 1.359 0.030 1
542 56 56 VAL HG1 H 1.087 0.030 1
543 56 56 VAL HG2 H 0.833 0.030 1
544 56 56 VAL C C 173.974 0.300 1
545 56 56 VAL CA C 65.335 0.300 1
546 56 56 VAL CB C 32.570 0.300 1
547 56 56 VAL CG1 C 23.445 0.300 2
548 56 56 VAL CG2 C 20.961 0.300 2
549 56 56 VAL N N 119.468 0.300 1
550 57 57 LYS H H 9.299 0.030 1
551 57 57 LYS HA H 4.485 0.030 1
552 57 57 LYS HB2 H 1.816 0.030 2
553 57 57 LYS HB3 H 1.749 0.030 2
554 57 57 LYS HD2 H 1.710 0.030 1
555 57 57 LYS HD3 H 1.710 0.030 1
556 57 57 LYS HE2 H 3.025 0.030 1
557 57 57 LYS HE3 H 3.025 0.030 1
558 57 57 LYS HG2 H 1.508 0.030 2
559 57 57 LYS HG3 H 1.412 0.030 2
560 57 57 LYS C C 177.072 0.300 1
561 57 57 LYS CA C 55.918 0.300 1
562 57 57 LYS CB C 36.617 0.300 1
563 57 57 LYS CD C 29.095 0.300 1
564 57 57 LYS CE C 41.978 0.300 1
565 57 57 LYS CG C 24.564 0.300 1
566 57 57 LYS N N 124.975 0.300 1
567 58 58 GLU H H 8.854 0.030 1
568 58 58 GLU HA H 5.188 0.030 1
569 58 58 GLU HB2 H 1.833 0.030 1
570 58 58 GLU HB3 H 1.833 0.030 1
571 58 58 GLU HG2 H 1.940 0.030 2
572 58 58 GLU HG3 H 1.887 0.030 2
573 58 58 GLU C C 173.987 0.300 1
574 58 58 GLU CA C 54.910 0.300 1
575 58 58 GLU CB C 35.201 0.300 1
576 58 58 GLU CG C 37.374 0.300 1
577 58 58 GLU N N 122.174 0.300 1
578 59 59 VAL H H 8.934 0.030 1
579 59 59 VAL HA H 4.971 0.030 1
580 59 59 VAL HB H 1.683 0.030 1
581 59 59 VAL HG1 H 0.743 0.030 1
582 59 59 VAL HG2 H 0.360 0.030 1
583 59 59 VAL C C 173.511 0.300 1
584 59 59 VAL CA C 57.517 0.300 1
585 59 59 VAL CB C 35.245 0.300 1
586 59 59 VAL CG1 C 21.724 0.300 2
587 59 59 VAL CG2 C 18.298 0.300 2
588 59 59 VAL N N 109.266 0.300 1
589 60 60 GLN H H 9.104 0.030 1
590 60 60 GLN HA H 5.189 0.030 1
591 60 60 GLN HB2 H 1.611 0.030 1
592 60 60 GLN HB3 H 1.611 0.030 1
593 60 60 GLN HE21 H 7.122 0.030 2
594 60 60 GLN HE22 H 6.544 0.030 2
595 60 60 GLN HG2 H 1.612 0.030 2
596 60 60 GLN HG3 H 1.764 0.030 2
597 60 60 GLN C C 174.947 0.300 1
598 60 60 GLN CA C 53.332 0.300 1
599 60 60 GLN CB C 33.840 0.300 1
600 60 60 GLN CG C 34.287 0.300 1
601 60 60 GLN N N 120.089 0.300 1
602 60 60 GLN NE2 N 109.914 0.300 1
603 61 61 CYS H H 7.648 0.030 1
604 61 61 CYS HA H 4.175 0.030 1
605 61 61 CYS HB2 H 3.259 0.030 2
606 61 61 CYS HB3 H 3.287 0.030 2
607 61 61 CYS C C 178.214 0.300 1
608 61 61 CYS CA C 59.992 0.300 1
609 61 61 CYS CB C 33.314 0.300 1
610 61 61 CYS N N 128.758 0.300 1
611 62 62 ILE H H 8.072 0.030 1
612 62 62 ILE HA H 4.069 0.030 1
613 62 62 ILE HB H 1.663 0.030 1
614 62 62 ILE HD1 H 0.853 0.030 1
615 62 62 ILE HG12 H 1.224 0.030 2
616 62 62 ILE HG13 H 1.333 0.030 2
617 62 62 ILE HG2 H 0.822 0.030 1
618 62 62 ILE C C 175.370 0.300 1
619 62 62 ILE CA C 63.310 0.300 1
620 62 62 ILE CB C 38.626 0.300 1
621 62 62 ILE CD1 C 14.159 0.300 1
622 62 62 ILE CG1 C 27.628 0.300 1
623 62 62 ILE CG2 C 17.690 0.300 1
624 62 62 ILE N N 127.029 0.300 1
625 63 63 ASN H H 9.194 0.030 1
626 63 63 ASN HA H 4.798 0.030 1
627 63 63 ASN HB2 H 2.922 0.030 2
628 63 63 ASN HB3 H 2.622 0.030 2
629 63 63 ASN HD21 H 7.171 0.030 2
630 63 63 ASN HD22 H 8.024 0.030 2
631 63 63 ASN C C 175.998 0.300 1
632 63 63 ASN CA C 55.792 0.300 1
633 63 63 ASN CB C 40.471 0.300 1
634 63 63 ASN N N 122.395 0.300 1
635 63 63 ASN ND2 N 117.172 0.300 1
636 64 64 CYS H H 9.065 0.030 1
637 64 64 CYS HA H 5.022 0.030 1
638 64 64 CYS HB2 H 2.624 0.030 2
639 64 64 CYS HB3 H 3.258 0.030 2
640 64 64 CYS C C 176.071 0.300 1
641 64 64 CYS CA C 58.844 0.300 1
642 64 64 CYS CB C 31.908 0.300 1
643 64 64 CYS N N 120.179 0.300 1
644 65 65 GLU H H 7.280 0.030 1
645 65 65 GLU HA H 4.055 0.030 1
646 65 65 GLU HB2 H 2.293 0.030 2
647 65 65 GLU HB3 H 2.194 0.030 2
648 65 65 GLU HG2 H 2.037 0.030 2
649 65 65 GLU HG3 H 1.970 0.030 2
650 65 65 GLU C C 174.826 0.300 1
651 65 65 GLU CA C 58.594 0.300 1
652 65 65 GLU CB C 26.903 0.300 1
653 65 65 GLU CG C 37.274 0.300 1
654 65 65 GLU N N 115.329 0.300 1
655 66 66 LYS H H 8.238 0.030 1
656 66 66 LYS HA H 4.303 0.030 1
657 66 66 LYS HB2 H 2.097 0.030 2
658 66 66 LYS HB3 H 1.687 0.030 2
659 66 66 LYS HD2 H 1.590 0.030 2
660 66 66 LYS HD3 H 1.883 0.030 2
661 66 66 LYS HE2 H 3.122 0.030 2
662 66 66 LYS HE3 H 2.990 0.030 2
663 66 66 LYS HG2 H 1.092 0.030 2
664 66 66 LYS HG3 H 1.343 0.030 2
665 66 66 LYS C C 177.111 0.300 1
666 66 66 LYS CA C 57.160 0.300 1
667 66 66 LYS CB C 34.235 0.300 1
668 66 66 LYS CD C 28.646 0.300 1
669 66 66 LYS CE C 41.895 0.300 1
670 66 66 LYS CG C 24.593 0.300 1
671 66 66 LYS N N 121.843 0.300 1
672 67 67 LEU H H 9.000 0.030 1
673 67 67 LEU HA H 4.932 0.030 1
674 67 67 LEU HB2 H 1.787 0.030 2
675 67 67 LEU HB3 H 1.556 0.030 2
676 67 67 LEU HD1 H 0.735 0.030 1
677 67 67 LEU HD2 H 0.823 0.030 1
678 67 67 LEU HG H 1.462 0.030 1
679 67 67 LEU C C 175.645 0.300 1
680 67 67 LEU CA C 54.966 0.300 1
681 67 67 LEU CB C 42.218 0.300 1
682 67 67 LEU CD1 C 23.917 0.300 2
683 67 67 LEU CD2 C 25.951 0.300 2
684 67 67 LEU CG C 27.166 0.300 1
685 67 67 LEU N N 136.550 0.300 1
686 68 68 GLN H H 9.437 0.030 1
687 68 68 GLN HA H 5.017 0.030 1
688 68 68 GLN HB2 H 2.353 0.030 2
689 68 68 GLN HB3 H 1.764 0.030 2
690 68 68 GLN HE21 H 6.903 0.030 2
691 68 68 GLN HE22 H 8.701 0.030 2
692 68 68 GLN HG2 H 2.292 0.030 2
693 68 68 GLN HG3 H 2.209 0.030 2
694 68 68 GLN C C 173.692 0.300 1
695 68 68 GLN CA C 53.933 0.300 1
696 68 68 GLN CB C 35.246 0.300 1
697 68 68 GLN CG C 32.856 0.300 1
698 68 68 GLN N N 124.362 0.300 1
699 68 68 GLN NE2 N 111.939 0.300 1
700 69 69 HIS H H 8.859 0.030 1
701 69 69 HIS HA H 4.786 0.030 1
702 69 69 HIS HB2 H 3.278 0.030 2
703 69 69 HIS HB3 H 3.206 0.030 2
704 69 69 HIS HD2 H 7.185 0.030 1
705 69 69 HIS HE1 H 8.142 0.030 1
706 69 69 HIS C C 174.844 0.300 1
707 69 69 HIS CA C 56.223 0.300 1
708 69 69 HIS CB C 29.670 0.300 1
709 69 69 HIS CD2 C 120.505 0.300 1
710 69 69 HIS CE1 C 137.738 0.300 1
711 69 69 HIS N N 118.467 0.300 1
712 70 70 ALA H H 7.831 0.030 1
713 70 70 ALA HA H 3.965 0.030 1
714 70 70 ALA HB H 1.304 0.030 1
715 70 70 ALA C C 175.676 0.300 1
716 70 70 ALA CA C 54.630 0.300 1
717 70 70 ALA CB C 17.858 0.300 1
718 70 70 ALA N N 120.909 0.300 1
719 71 71 GLN H H 7.289 0.030 1
720 71 71 GLN HA H 4.370 0.030 1
721 71 71 GLN HB2 H 2.095 0.030 2
722 71 71 GLN HB3 H 2.624 0.030 2
723 71 71 GLN HE21 H 8.040 0.030 2
724 71 71 GLN HE22 H 7.051 0.030 2
725 71 71 GLN HG2 H 2.468 0.030 2
726 71 71 GLN HG3 H 2.676 0.030 2
727 71 71 GLN C C 173.013 0.300 1
728 71 71 GLN CA C 54.442 0.300 1
729 71 71 GLN CB C 28.246 0.300 1
730 71 71 GLN CG C 29.021 0.300 1
731 71 71 GLN N N 116.451 0.300 1
732 71 71 GLN NE2 N 113.051 0.300 1
733 72 72 GLN H H 8.518 0.030 1
734 72 72 GLN HA H 3.535 0.030 1
735 72 72 GLN HB2 H 2.015 0.030 2
736 72 72 GLN HB3 H 1.825 0.030 2
737 72 72 GLN HE21 H 7.698 0.030 2
738 72 72 GLN HE22 H 6.609 0.030 2
739 72 72 GLN HG2 H 2.662 0.030 2
740 72 72 GLN HG3 H 2.529 0.030 2
741 72 72 GLN C C 174.000 0.300 1
742 72 72 GLN CA C 60.220 0.300 1
743 72 72 GLN CB C 28.859 0.300 1
744 72 72 GLN CG C 34.524 0.300 1
745 72 72 GLN N N 116.478 0.300 1
746 72 72 GLN NE2 N 110.818 0.300 1
747 73 73 THR H H 7.143 0.030 1
748 73 73 THR HA H 4.211 0.030 1
749 73 73 THR HB H 3.441 0.030 1
750 73 73 THR HG2 H 0.863 0.030 1
751 73 73 THR C C 172.137 0.300 1
752 73 73 THR CA C 58.700 0.300 1
753 73 73 THR CB C 71.520 0.300 1
754 73 73 THR CG2 C 21.926 0.300 1
755 73 73 THR N N 108.262 0.300 1
756 74 74 CYS H H 7.726 0.030 1
757 74 74 CYS HA H 4.239 0.030 1
758 74 74 CYS HB2 H 3.017 0.030 2
759 74 74 CYS HB3 H 2.810 0.030 2
760 74 74 CYS C C 178.769 0.300 1
761 74 74 CYS CA C 58.828 0.300 1
762 74 74 CYS CB C 31.118 0.300 1
763 74 74 CYS N N 123.363 0.300 1
764 75 75 GLU H H 9.255 0.030 1
765 75 75 GLU HA H 4.134 0.030 1
766 75 75 GLU HB2 H 2.087 0.030 1
767 75 75 GLU HB3 H 2.087 0.030 1
768 75 75 GLU HG2 H 2.069 0.030 2
769 75 75 GLU HG3 H 2.207 0.030 2
770 75 75 GLU C C 175.529 0.300 1
771 75 75 GLU CA C 57.573 0.300 1
772 75 75 GLU CB C 29.451 0.300 1
773 75 75 GLU CG C 34.002 0.300 1
774 75 75 GLU N N 130.014 0.300 1
775 76 76 ASP H H 9.184 0.030 1
776 76 76 ASP HA H 4.973 0.030 1
777 76 76 ASP HB2 H 2.738 0.030 2
778 76 76 ASP HB3 H 2.639 0.030 2
779 76 76 ASP C C 177.316 0.300 1
780 76 76 ASP CA C 55.630 0.300 1
781 76 76 ASP CB C 42.828 0.300 1
782 76 76 ASP N N 123.395 0.300 1
783 77 77 CYS H H 8.734 0.030 1
784 77 77 CYS HA H 5.018 0.030 1
785 77 77 CYS HB2 H 3.334 0.030 2
786 77 77 CYS HB3 H 2.694 0.030 2
787 77 77 CYS C C 176.348 0.300 1
788 77 77 CYS CA C 58.809 0.300 1
789 77 77 CYS CB C 31.349 0.300 1
790 77 77 CYS N N 120.067 0.300 1
791 78 78 SER H H 7.535 0.030 1
792 78 78 SER HA H 4.042 0.030 1
793 78 78 SER HB2 H 4.112 0.030 2
794 78 78 SER HB3 H 4.008 0.030 2
795 78 78 SER C C 174.560 0.300 1
796 78 78 SER CA C 60.517 0.300 1
797 78 78 SER CB C 61.514 0.300 1
798 78 78 SER N N 113.313 0.300 1
799 79 79 THR H H 7.904 0.030 1
800 79 79 THR HA H 3.837 0.030 1
801 79 79 THR HB H 4.051 0.030 1
802 79 79 THR HG2 H 1.181 0.030 1
803 79 79 THR C C 172.306 0.300 1
804 79 79 THR CA C 65.710 0.300 1
805 79 79 THR CB C 70.109 0.300 1
806 79 79 THR CG2 C 21.321 0.300 1
807 79 79 THR N N 120.185 0.300 1
808 80 80 LEU H H 8.519 0.030 1
809 80 80 LEU HA H 4.152 0.030 1
810 80 80 LEU HB2 H 1.427 0.030 2
811 80 80 LEU HB3 H 1.907 0.030 2
812 80 80 LEU HD1 H 0.925 0.030 1
813 80 80 LEU HD2 H 0.919 0.030 1
814 80 80 LEU HG H 1.123 0.030 1
815 80 80 LEU C C 176.772 0.300 1
816 80 80 LEU CA C 54.611 0.300 1
817 80 80 LEU CB C 42.261 0.300 1
818 80 80 LEU CD1 C 23.420 0.300 2
819 80 80 LEU CD2 C 26.399 0.300 2
820 80 80 LEU CG C 27.385 0.300 1
821 80 80 LEU N N 128.819 0.300 1
822 81 81 PHE H H 9.131 0.030 1
823 81 81 PHE HA H 4.606 0.030 1
824 81 81 PHE HB2 H 3.184 0.030 2
825 81 81 PHE HB3 H 2.846 0.030 2
826 81 81 PHE HD1 H 7.058 0.030 1
827 81 81 PHE HD2 H 7.058 0.030 1
828 81 81 PHE HE1 H 6.783 0.030 1
829 81 81 PHE HE2 H 6.783 0.030 1
830 81 81 PHE HZ H 7.164 0.030 1
831 81 81 PHE C C 177.404 0.300 1
832 81 81 PHE CA C 57.344 0.300 1
833 81 81 PHE CB C 38.846 0.300 1
834 81 81 PHE CD1 C 131.922 0.300 1
835 81 81 PHE CD2 C 131.922 0.300 1
836 81 81 PHE CE1 C 132.232 0.300 1
837 81 81 PHE CE2 C 132.232 0.300 1
838 81 81 PHE CZ C 128.112 0.300 1
839 81 81 PHE N N 129.714 0.300 1
840 82 82 GLY H H 6.953 0.030 1
841 82 82 GLY HA2 H 3.789 0.030 2
842 82 82 GLY HA3 H 4.762 0.030 2
843 82 82 GLY C C 171.676 0.300 1
844 82 82 GLY CA C 45.595 0.300 1
845 82 82 GLY N N 100.491 0.300 1
846 83 83 GLU H H 8.472 0.030 1
847 83 83 GLU HA H 4.080 0.030 1
848 83 83 GLU HB2 H 2.298 0.030 1
849 83 83 GLU HB3 H 2.298 0.030 1
850 83 83 GLU HG2 H 2.543 0.030 2
851 83 83 GLU HG3 H 2.436 0.030 2
852 83 83 GLU C C 177.240 0.300 1
853 83 83 GLU CA C 59.559 0.300 1
854 83 83 GLU CB C 30.899 0.300 1
855 83 83 GLU CG C 36.386 0.300 1
856 83 83 GLU N N 127.136 0.300 1
857 84 84 TYR H H 9.432 0.030 1
858 84 84 TYR HA H 4.593 0.030 1
859 84 84 TYR HB2 H 2.510 0.030 2
860 84 84 TYR HB3 H 2.763 0.030 2
861 84 84 TYR C C 173.249 0.300 1
862 84 84 TYR CA C 57.395 0.300 1
863 84 84 TYR CB C 40.998 0.300 1
864 84 84 TYR N N 119.085 0.300 1
865 85 85 TYR H H 7.414 0.030 1
866 85 85 TYR HA H 5.283 0.030 1
867 85 85 TYR HB2 H 2.627 0.030 2
868 85 85 TYR HB3 H 2.090 0.030 2
869 85 85 TYR C C 172.893 0.300 1
870 85 85 TYR CA C 53.625 0.300 1
871 85 85 TYR CB C 41.166 0.300 1
872 85 85 TYR N N 125.105 0.300 1
873 86 86 CYS H H 7.230 0.030 1
874 86 86 CYS HA H 3.887 0.030 1
875 86 86 CYS HB2 H 2.634 0.030 2
876 86 86 CYS HB3 H 2.408 0.030 2
877 86 86 CYS C C 174.903 0.300 1
878 86 86 CYS CA C 56.260 0.300 1
879 86 86 CYS CB C 33.134 0.300 1
880 86 86 CYS N N 128.934 0.300 1
881 87 87 SER H H 8.055 0.030 1
882 87 87 SER HA H 3.478 0.030 1
883 87 87 SER HB2 H 3.931 0.030 2
884 87 87 SER HB3 H 3.457 0.030 2
885 87 87 SER C C 172.514 0.300 1
886 87 87 SER CA C 58.980 0.300 1
887 87 87 SER CB C 62.996 0.300 1
888 87 87 SER N N 123.079 0.300 1
889 88 88 ILE H H 7.974 0.030 1
890 88 88 ILE HA H 3.666 0.030 1
891 88 88 ILE HB H 1.023 0.030 1
892 88 88 ILE HD1 H 0.196 0.030 1
893 88 88 ILE HG12 H 0.707 0.030 2
894 88 88 ILE HG13 H 1.100 0.030 2
895 88 88 ILE HG2 H 0.845 0.030 1
896 88 88 ILE C C 177.225 0.300 1
897 88 88 ILE CA C 63.663 0.300 1
898 88 88 ILE CB C 39.357 0.300 1
899 88 88 ILE CD1 C 12.753 0.300 1
900 88 88 ILE CG1 C 27.464 0.300 1
901 88 88 ILE CG2 C 17.638 0.300 1
902 88 88 ILE N N 124.618 0.300 1
903 89 89 CYS H H 8.566 0.030 1
904 89 89 CYS HA H 3.658 0.030 1
905 89 89 CYS HB2 H 2.493 0.030 2
906 89 89 CYS HB3 H 2.810 0.030 2
907 89 89 CYS C C 175.272 0.300 1
908 89 89 CYS CA C 61.060 0.300 1
909 89 89 CYS CB C 30.879 0.300 1
910 89 89 CYS N N 119.769 0.300 1
911 90 90 HIS H H 7.392 0.030 1
912 90 90 HIS HA H 3.455 0.030 1
913 90 90 HIS HB2 H 2.898 0.030 2
914 90 90 HIS HB3 H 3.546 0.030 2
915 90 90 HIS HD2 H 6.930 0.030 1
916 90 90 HIS HE1 H 8.410 0.030 1
917 90 90 HIS C C 170.388 0.300 1
918 90 90 HIS CA C 59.017 0.300 1
919 90 90 HIS CB C 24.927 0.300 1
920 90 90 HIS CD2 C 117.228 0.300 1
921 90 90 HIS CE1 C 136.730 0.300 1
922 90 90 HIS N N 111.319 0.300 1
923 91 91 LEU H H 6.250 0.030 1
924 91 91 LEU HA H 4.171 0.030 1
925 91 91 LEU HB2 H 1.243 0.030 2
926 91 91 LEU HB3 H 1.488 0.030 2
927 91 91 LEU HD1 H 0.689 0.030 1
928 91 91 LEU HD2 H 1.021 0.030 1
929 91 91 LEU HG H 1.236 0.030 1
930 91 91 LEU C C 174.161 0.300 1
931 91 91 LEU CA C 53.973 0.300 1
932 91 91 LEU CB C 45.439 0.300 1
933 91 91 LEU CD1 C 24.354 0.300 2
934 91 91 LEU CD2 C 25.443 0.300 2
935 91 91 LEU CG C 28.083 0.300 1
936 91 91 LEU N N 115.593 0.300 1
937 92 92 PHE H H 6.768 0.030 1
938 92 92 PHE HA H 5.644 0.030 1
939 92 92 PHE HB2 H 2.459 0.030 2
940 92 92 PHE HB3 H 2.940 0.030 2
941 92 92 PHE HD1 H 6.783 0.030 1
942 92 92 PHE HD2 H 6.783 0.030 1
943 92 92 PHE HE1 H 7.048 0.030 1
944 92 92 PHE HE2 H 7.048 0.030 1
945 92 92 PHE HZ H 6.711 0.030 1
946 92 92 PHE C C 175.697 0.300 1
947 92 92 PHE CA C 55.620 0.300 1
948 92 92 PHE CB C 42.982 0.300 1
949 92 92 PHE CD1 C 132.215 0.300 1
950 92 92 PHE CD2 C 132.215 0.300 1
951 92 92 PHE CE1 C 132.215 0.300 1
952 92 92 PHE CE2 C 132.215 0.300 1
953 92 92 PHE CZ C 130.456 0.300 1
954 92 92 PHE N N 121.698 0.300 1
955 93 93 ASP H H 9.283 0.030 1
956 93 93 ASP HA H 5.738 0.030 1
957 93 93 ASP HB2 H 2.946 0.030 2
958 93 93 ASP HB3 H 2.726 0.030 2
959 93 93 ASP CA C 53.319 0.300 1
960 93 93 ASP CB C 44.525 0.300 1
961 93 93 ASP N N 123.694 0.300 1
962 94 94 LYS H H 8.984 0.030 1
963 94 94 LYS HA H 4.499 0.030 1
964 94 94 LYS HB2 H 1.887 0.030 2
965 94 94 LYS HB3 H 2.077 0.030 2
966 94 94 LYS HD2 H 1.825 0.030 1
967 94 94 LYS HD3 H 1.825 0.030 1
968 94 94 LYS HE2 H 3.096 0.030 1
969 94 94 LYS HE3 H 3.096 0.030 1
970 94 94 LYS HG2 H 1.478 0.030 2
971 94 94 LYS HG3 H 1.601 0.030 2
972 94 94 LYS C C 175.781 0.300 1
973 94 94 LYS CA C 56.558 0.300 1
974 94 94 LYS CB C 33.732 0.300 1
975 94 94 LYS CD C 29.285 0.300 1
976 94 94 LYS CE C 42.188 0.300 1
977 94 94 LYS CG C 24.476 0.300 1
978 94 94 LYS N N 120.733 0.300 1
979 95 95 ASP H H 9.038 0.030 1
980 95 95 ASP HA H 4.712 0.030 1
981 95 95 ASP HB2 H 2.964 0.030 2
982 95 95 ASP HB3 H 2.610 0.030 2
983 95 95 ASP CA C 55.789 0.300 1
984 95 95 ASP CB C 41.015 0.300 1
985 95 95 ASP N N 121.268 0.300 1
986 96 96 LYS H H 9.427 0.030 1
987 96 96 LYS HA H 4.459 0.030 1
988 96 96 LYS HB2 H 1.128 0.030 2
989 96 96 LYS HB3 H 2.104 0.030 2
990 96 96 LYS HD2 H 1.611 0.030 2
991 96 96 LYS HD3 H 1.713 0.030 2
992 96 96 LYS HE2 H 2.958 0.030 1
993 96 96 LYS HE3 H 2.958 0.030 1
994 96 96 LYS HG2 H 1.294 0.030 1
995 96 96 LYS HG3 H 1.294 0.030 1
996 96 96 LYS CA C 54.950 0.300 1
997 96 96 LYS CB C 33.345 0.300 1
998 96 96 LYS CD C 29.872 0.300 1
999 96 96 LYS CE C 42.579 0.300 1
1000 96 96 LYS CG C 25.064 0.300 1
1001 96 96 LYS N N 131.414 0.300 1
1002 97 97 ARG H H 9.020 0.030 1
1003 97 97 ARG HA H 4.122 0.030 1
1004 97 97 ARG HB2 H 1.628 0.030 1
1005 97 97 ARG HB3 H 1.628 0.030 1
1006 97 97 ARG HD2 H 3.255 0.030 1
1007 97 97 ARG HD3 H 3.255 0.030 1
1008 97 97 ARG HG2 H 1.916 0.030 2
1009 97 97 ARG HG3 H 2.036 0.030 2
1010 97 97 ARG C C 176.877 0.300 1
1011 97 97 ARG CA C 56.579 0.300 1
1012 97 97 ARG CB C 26.646 0.300 1
1013 97 97 ARG CD C 43.362 0.300 1
1014 97 97 ARG CG C 26.495 0.300 1
1015 97 97 ARG N N 115.119 0.300 1
1016 98 98 GLN H H 9.301 0.030 1
1017 98 98 GLN HA H 4.432 0.030 1
1018 98 98 GLN HB2 H 0.164 0.030 2
1019 98 98 GLN HB3 H 1.079 0.030 2
1020 98 98 GLN HE21 H 8.398 0.030 2
1021 98 98 GLN HE22 H 7.815 0.030 2
1022 98 98 GLN HG2 H 2.019 0.030 2
1023 98 98 GLN HG3 H 1.771 0.030 2
1024 98 98 GLN C C 175.005 0.300 1
1025 98 98 GLN CA C 57.648 0.300 1
1026 98 98 GLN CB C 27.419 0.300 1
1027 98 98 GLN CG C 34.098 0.300 1
1028 98 98 GLN N N 117.914 0.300 1
1029 98 98 GLN NE2 N 112.783 0.300 1
1030 99 99 TYR H H 8.385 0.030 1
1031 99 99 TYR HA H 4.917 0.030 1
1032 99 99 TYR HB2 H 3.101 0.030 2
1033 99 99 TYR HB3 H 2.940 0.030 2
1034 99 99 TYR HD1 H 6.727 0.030 1
1035 99 99 TYR HD2 H 6.727 0.030 1
1036 99 99 TYR HE1 H 6.414 0.030 1
1037 99 99 TYR HE2 H 6.414 0.030 1
1038 99 99 TYR C C 171.413 0.300 1
1039 99 99 TYR CA C 56.035 0.300 1
1040 99 99 TYR CB C 41.217 0.300 1
1041 99 99 TYR CD1 C 133.119 0.300 1
1042 99 99 TYR CD2 C 133.119 0.300 1
1043 99 99 TYR CE1 C 117.698 0.300 1
1044 99 99 TYR CE2 C 117.698 0.300 1
1045 99 99 TYR N N 115.113 0.300 1
1046 100 100 HIS H H 8.868 0.030 1
1047 100 100 HIS HA H 4.500 0.030 1
1048 100 100 HIS HB2 H 3.070 0.030 2
1049 100 100 HIS HB3 H 3.218 0.030 2
1050 100 100 HIS HD2 H 6.464 0.030 1
1051 100 100 HIS HE1 H 7.652 0.030 1
1052 100 100 HIS C C 174.965 0.300 1
1053 100 100 HIS CA C 56.242 0.300 1
1054 100 100 HIS CB C 31.294 0.300 1
1055 100 100 HIS CD2 C 118.441 0.300 1
1056 100 100 HIS CE1 C 139.443 0.300 1
1057 100 100 HIS N N 120.717 0.300 1
1058 101 101 CYS H H 7.436 0.030 1
1059 101 101 CYS HA H 4.546 0.030 1
1060 101 101 CYS HB2 H 2.824 0.030 2
1061 101 101 CYS HB3 H 2.714 0.030 2
1062 101 101 CYS C C 175.716 0.300 1
1063 101 101 CYS CA C 57.749 0.300 1
1064 101 101 CYS CB C 29.244 0.300 1
1065 101 101 CYS N N 131.309 0.300 1
1066 102 102 GLU H H 9.418 0.030 1
1067 102 102 GLU HA H 3.991 0.030 1
1068 102 102 GLU HB2 H 2.090 0.030 1
1069 102 102 GLU HB3 H 2.090 0.030 1
1070 102 102 GLU HG2 H 2.284 0.030 2
1071 102 102 GLU HG3 H 2.380 0.030 2
1072 102 102 GLU C C 177.153 0.300 1
1073 102 102 GLU CA C 59.283 0.300 1
1074 102 102 GLU CB C 29.398 0.300 1
1075 102 102 GLU CG C 36.529 0.300 1
1076 102 102 GLU N N 129.668 0.300 1
1077 103 103 SER H H 7.827 0.030 1
1078 103 103 SER HA H 4.176 0.030 1
1079 103 103 SER HB2 H 2.995 0.030 2
1080 103 103 SER HB3 H 1.861 0.030 2
1081 103 103 SER C C 175.603 0.300 1
1082 103 103 SER CA C 61.659 0.300 1
1083 103 103 SER CB C 61.532 0.300 1
1084 103 103 SER N N 116.937 0.300 1
1085 104 104 CYS H H 9.352 0.030 1
1086 104 104 CYS HA H 4.086 0.030 1
1087 104 104 CYS HB2 H 2.959 0.030 2
1088 104 104 CYS HB3 H 2.697 0.030 2
1089 104 104 CYS C C 176.846 0.300 1
1090 104 104 CYS CA C 64.451 0.300 1
1091 104 104 CYS CB C 30.458 0.300 1
1092 104 104 CYS N N 126.673 0.300 1
1093 105 105 GLY H H 8.132 0.030 1
1094 105 105 GLY HA2 H 3.959 0.030 2
1095 105 105 GLY HA3 H 3.500 0.030 2
1096 105 105 GLY C C 172.555 0.300 1
1097 105 105 GLY CA C 45.103 0.300 1
1098 105 105 GLY N N 106.145 0.300 1
1099 106 106 ILE H H 6.439 0.030 1
1100 106 106 ILE HA H 4.846 0.030 1
1101 106 106 ILE HB H 1.802 0.030 1
1102 106 106 ILE HD1 H 0.772 0.030 1
1103 106 106 ILE HG12 H 1.021 0.030 2
1104 106 106 ILE HG13 H 0.771 0.030 2
1105 106 106 ILE HG2 H 0.961 0.030 1
1106 106 106 ILE C C 174.952 0.300 1
1107 106 106 ILE CA C 58.718 0.300 1
1108 106 106 ILE CB C 44.530 0.300 1
1109 106 106 ILE CD1 C 13.736 0.300 1
1110 106 106 ILE CG1 C 25.766 0.300 1
1111 106 106 ILE CG2 C 19.075 0.300 1
1112 106 106 ILE N N 107.705 0.300 1
1113 107 107 CYS H H 7.017 0.030 1
1114 107 107 CYS HA H 4.978 0.030 1
1115 107 107 CYS HB2 H 2.618 0.030 2
1116 107 107 CYS HB3 H 2.355 0.030 2
1117 107 107 CYS C C 175.468 0.300 1
1118 107 107 CYS CA C 62.298 0.300 1
1119 107 107 CYS CB C 31.075 0.300 1
1120 107 107 CYS N N 122.333 0.300 1
1121 108 108 ARG H H 8.572 0.030 1
1122 108 108 ARG HA H 4.209 0.030 1
1123 108 108 ARG HB2 H 1.446 0.030 2
1124 108 108 ARG HB3 H 0.564 0.030 2
1125 108 108 ARG HD2 H 2.933 0.030 2
1126 108 108 ARG HD3 H 2.999 0.030 2
1127 108 108 ARG HG2 H 1.136 0.030 1
1128 108 108 ARG HG3 H 1.136 0.030 1
1129 108 108 ARG C C 174.326 0.300 1
1130 108 108 ARG CA C 53.204 0.300 1
1131 108 108 ARG CB C 33.664 0.300 1
1132 108 108 ARG CD C 43.379 0.300 1
1133 108 108 ARG CG C 26.966 0.300 1
1134 108 108 ARG N N 121.054 0.300 1
1135 109 109 ILE H H 7.911 0.030 1
1136 109 109 ILE HA H 3.502 0.030 1
1137 109 109 ILE HB H 1.864 0.030 1
1138 109 109 ILE HD1 H 0.853 0.030 1
1139 109 109 ILE HG12 H 1.547 0.030 2
1140 109 109 ILE HG13 H 1.261 0.030 2
1141 109 109 ILE HG2 H 1.098 0.030 1
1142 109 109 ILE C C 175.517 0.300 1
1143 109 109 ILE CA C 62.513 0.300 1
1144 109 109 ILE CB C 37.203 0.300 1
1145 109 109 ILE CD1 C 12.396 0.300 1
1146 109 109 ILE CG1 C 27.821 0.300 1
1147 109 109 ILE CG2 C 17.549 0.300 1
1148 109 109 ILE N N 119.051 0.300 1
1149 110 110 GLY H H 6.940 0.030 1
1150 110 110 GLY HA2 H 4.120 0.030 2
1151 110 110 GLY HA3 H 4.462 0.030 2
1152 110 110 GLY C C 174.972 0.300 1
1153 110 110 GLY CA C 43.361 0.300 1
1154 110 110 GLY N N 113.108 0.300 1
1155 111 111 PRO HA H 4.952 0.030 1
1156 111 111 PRO HB2 H 2.428 0.030 2
1157 111 111 PRO HB3 H 2.358 0.030 2
1158 111 111 PRO HD2 H 3.560 0.030 2
1159 111 111 PRO HD3 H 3.814 0.030 2
1160 111 111 PRO HG2 H 1.910 0.030 1
1161 111 111 PRO HG3 H 1.910 0.030 1
1162 111 111 PRO C C 177.286 0.300 1
1163 111 111 PRO CA C 63.054 0.300 1
1164 111 111 PRO CB C 35.078 0.300 1
1165 111 111 PRO CD C 50.870 0.300 1
1166 111 111 PRO CG C 25.941 0.300 1
1167 112 112 LYS H H 9.058 0.030 1
1168 112 112 LYS HA H 3.146 0.030 1
1169 112 112 LYS HB2 H 1.390 0.030 2
1170 112 112 LYS HB3 H 1.322 0.030 2
1171 112 112 LYS HD2 H 1.452 0.030 2
1172 112 112 LYS HD3 H 1.531 0.030 2
1173 112 112 LYS HE2 H 2.918 0.030 2
1174 112 112 LYS HE3 H 2.974 0.030 2
1175 112 112 LYS HG2 H 1.190 0.030 2
1176 112 112 LYS HG3 H 0.684 0.030 2
1177 112 112 LYS C C 177.648 0.300 1
1178 112 112 LYS CA C 60.048 0.300 1
1179 112 112 LYS CB C 32.172 0.300 1
1180 112 112 LYS CD C 29.578 0.300 1
1181 112 112 LYS CE C 42.188 0.300 1
1182 112 112 LYS CG C 24.077 0.300 1
1183 112 112 LYS N N 123.491 0.300 1
1184 113 113 GLU H H 9.148 0.030 1
1185 113 113 GLU HA H 4.165 0.030 1
1186 113 113 GLU HB2 H 2.067 0.030 1
1187 113 113 GLU HB3 H 2.067 0.030 1
1188 113 113 GLU HG2 H 2.403 0.030 2
1189 113 113 GLU HG3 H 2.305 0.030 2
1190 113 113 GLU C C 176.892 0.300 1
1191 113 113 GLU CA C 59.016 0.300 1
1192 113 113 GLU CB C 28.395 0.300 1
1193 113 113 GLU CG C 36.505 0.300 1
1194 113 113 GLU N N 115.085 0.300 1
1195 114 114 ASP H H 7.816 0.030 1
1196 114 114 ASP HA H 4.581 0.030 1
1197 114 114 ASP HB2 H 2.412 0.030 2
1198 114 114 ASP HB3 H 2.648 0.030 2
1199 114 114 ASP C C 177.542 0.300 1
1200 114 114 ASP CA C 54.935 0.300 1
1201 114 114 ASP CB C 40.852 0.300 1
1202 114 114 ASP N N 120.105 0.300 1
1203 115 115 PHE H H 8.024 0.030 1
1204 115 115 PHE HA H 5.338 0.030 1
1205 115 115 PHE HB2 H 2.837 0.030 2
1206 115 115 PHE HB3 H 2.761 0.030 2
1207 115 115 PHE HD1 H 7.054 0.030 1
1208 115 115 PHE HD2 H 7.054 0.030 1
1209 115 115 PHE HE1 H 7.268 0.030 1
1210 115 115 PHE HE2 H 7.268 0.030 1
1211 115 115 PHE HZ H 7.324 0.030 1
1212 115 115 PHE C C 174.355 0.300 1
1213 115 115 PHE CA C 57.675 0.300 1
1214 115 115 PHE CB C 45.002 0.300 1
1215 115 115 PHE CD1 C 131.830 0.300 1
1216 115 115 PHE CD2 C 131.830 0.300 1
1217 115 115 PHE CE1 C 131.804 0.300 1
1218 115 115 PHE CE2 C 131.804 0.300 1
1219 115 115 PHE CZ C 129.924 0.300 1
1220 115 115 PHE N N 119.513 0.300 1
1221 116 116 PHE H H 9.534 0.030 1
1222 116 116 PHE HA H 5.009 0.030 1
1223 116 116 PHE HB2 H 2.994 0.030 2
1224 116 116 PHE HB3 H 3.102 0.030 2
1225 116 116 PHE HD1 H 7.001 0.030 1
1226 116 116 PHE HD2 H 7.001 0.030 1
1227 116 116 PHE HE1 H 7.188 0.030 1
1228 116 116 PHE HE2 H 7.188 0.030 1
1229 116 116 PHE HZ H 6.868 0.030 1
1230 116 116 PHE C C 171.299 0.300 1
1231 116 116 PHE CA C 55.609 0.300 1
1232 116 116 PHE CB C 42.312 0.300 1
1233 116 116 PHE CD1 C 132.186 0.300 1
1234 116 116 PHE CD2 C 132.186 0.300 1
1235 116 116 PHE CE1 C 131.005 0.300 1
1236 116 116 PHE CE2 C 131.005 0.300 1
1237 116 116 PHE CZ C 128.404 0.300 1
1238 116 116 PHE N N 118.394 0.300 1
1239 117 117 HIS H H 8.844 0.030 1
1240 117 117 HIS HA H 4.745 0.030 1
1241 117 117 HIS HB2 H 3.073 0.030 1
1242 117 117 HIS HB3 H 3.073 0.030 1
1243 117 117 HIS HD2 H 6.467 0.030 1
1244 117 117 HIS HE1 H 7.899 0.030 1
1245 117 117 HIS C C 174.857 0.300 1
1246 117 117 HIS CA C 55.700 0.300 1
1247 117 117 HIS CB C 30.886 0.300 1
1248 117 117 HIS CD2 C 118.140 0.300 1
1249 117 117 HIS CE1 C 140.327 0.300 1
1250 117 117 HIS N N 121.264 0.300 1
1251 118 118 CYS H H 8.097 0.030 1
1252 118 118 CYS HA H 4.458 0.030 1
1253 118 118 CYS HB2 H 2.544 0.030 2
1254 118 118 CYS HB3 H 2.870 0.030 2
1255 118 118 CYS C C 176.514 0.300 1
1256 118 118 CYS CA C 58.904 0.300 1
1257 118 118 CYS CB C 29.757 0.300 1
1258 118 118 CYS N N 131.887 0.300 1
1259 119 119 LEU H H 8.948 0.030 1
1260 119 119 LEU HA H 4.261 0.030 1
1261 119 119 LEU HB2 H 1.905 0.030 2
1262 119 119 LEU HB3 H 1.748 0.030 2
1263 119 119 LEU HD1 H 1.080 0.030 1
1264 119 119 LEU HD2 H 1.030 0.030 1
1265 119 119 LEU HG H 1.913 0.030 1
1266 119 119 LEU C C 176.488 0.300 1
1267 119 119 LEU CA C 57.565 0.300 1
1268 119 119 LEU CB C 42.259 0.300 1
1269 119 119 LEU CD1 C 25.209 0.300 2
1270 119 119 LEU CD2 C 23.618 0.300 2
1271 119 119 LEU CG C 27.466 0.300 1
1272 119 119 LEU N N 130.634 0.300 1
1273 120 120 LYS H H 8.394 0.030 1
1274 120 120 LYS HA H 4.266 0.030 1
1275 120 120 LYS HB2 H 2.120 0.030 1
1276 120 120 LYS HB3 H 2.120 0.030 1
1277 120 120 LYS HD2 H 1.749 0.030 1
1278 120 120 LYS HD3 H 1.749 0.030 1
1279 120 120 LYS HE2 H 3.021 0.030 1
1280 120 120 LYS HE3 H 3.021 0.030 1
1281 120 120 LYS HG2 H 1.525 0.030 2
1282 120 120 LYS HG3 H 1.462 0.030 2
1283 120 120 LYS CA C 58.904 0.300 1
1284 120 120 LYS CB C 32.971 0.300 1
1285 120 120 LYS CD C 28.987 0.300 1
1286 120 120 LYS CE C 42.481 0.300 1
1287 120 120 LYS CG C 25.562 0.300 1
1288 121 121 CYS HA H 4.294 0.030 1
1289 121 121 CYS HB2 H 3.030 0.030 2
1290 121 121 CYS HB3 H 2.814 0.030 2
1291 121 121 CYS CA C 58.926 0.300 1
1292 121 121 CYS CB C 30.458 0.300 1
1293 122 122 ASN H H 8.008 0.030 1
1294 122 122 ASN HA H 4.362 0.030 1
1295 122 122 ASN HB2 H 3.333 0.030 2
1296 122 122 ASN HB3 H 2.486 0.030 2
1297 122 122 ASN HD21 H 6.800 0.030 2
1298 122 122 ASN HD22 H 7.553 0.030 2
1299 122 122 ASN C C 172.612 0.300 1
1300 122 122 ASN CA C 53.613 0.300 1
1301 122 122 ASN CB C 37.196 0.300 1
1302 122 122 ASN ND2 N 111.651 0.300 1
1303 123 123 LEU H H 6.572 0.030 1
1304 123 123 LEU HA H 4.535 0.030 1
1305 123 123 LEU HB2 H 1.166 0.030 2
1306 123 123 LEU HB3 H 1.257 0.030 2
1307 123 123 LEU HD1 H 0.853 0.030 1
1308 123 123 LEU HD2 H 0.800 0.030 1
1309 123 123 LEU HG H 1.464 0.030 1
1310 123 123 LEU C C 175.869 0.300 1
1311 123 123 LEU CA C 53.898 0.300 1
1312 123 123 LEU CB C 46.448 0.300 1
1313 123 123 LEU CD1 C 24.062 0.300 2
1314 123 123 LEU CD2 C 25.462 0.300 2
1315 123 123 LEU CG C 25.993 0.300 1
1316 123 123 LEU N N 114.836 0.300 1
1317 124 124 CYS H H 6.402 0.030 1
1318 124 124 CYS HA H 5.024 0.030 1
1319 124 124 CYS HB2 H 2.354 0.030 2
1320 124 124 CYS HB3 H 2.416 0.030 2
1321 124 124 CYS C C 174.870 0.300 1
1322 124 124 CYS CA C 62.148 0.300 1
1323 124 124 CYS CB C 30.942 0.300 1
1324 124 124 CYS N N 118.873 0.300 1
1325 125 125 LEU H H 8.799 0.030 1
1326 125 125 LEU HA H 4.726 0.030 1
1327 125 125 LEU HB2 H 1.260 0.030 2
1328 125 125 LEU HB3 H 0.942 0.030 2
1329 125 125 LEU HD1 H 0.070 0.030 1
1330 125 125 LEU HD2 H 0.571 0.030 1
1331 125 125 LEU HG H 0.988 0.030 1
1332 125 125 LEU C C 175.738 0.300 1
1333 125 125 LEU CA C 52.846 0.300 1
1334 125 125 LEU CB C 46.222 0.300 1
1335 125 125 LEU CD1 C 25.709 0.300 2
1336 125 125 LEU CD2 C 23.653 0.300 2
1337 125 125 LEU CG C 26.134 0.300 1
1338 125 125 LEU N N 124.250 0.300 1
1339 126 126 THR H H 8.163 0.030 1
1340 126 126 THR HA H 4.325 0.030 1
1341 126 126 THR HB H 4.343 0.030 1
1342 126 126 THR HG2 H 1.120 0.030 1
1343 126 126 THR C C 177.402 0.300 1
1344 126 126 THR CA C 61.679 0.300 1
1345 126 126 THR CB C 68.719 0.300 1
1346 126 126 THR CG2 C 22.364 0.300 1
1347 126 126 THR N N 112.609 0.300 1
1348 127 127 THR H H 8.050 0.030 1
1349 127 127 THR HA H 3.984 0.030 1
1350 127 127 THR HB H 4.238 0.030 1
1351 127 127 THR HG2 H 1.170 0.030 1
1352 127 127 THR C C 176.988 0.300 1
1353 127 127 THR CA C 65.532 0.300 1
1354 127 127 THR CB C 68.300 0.300 1
1355 127 127 THR CG2 C 23.173 0.300 1
1356 127 127 THR N N 114.458 0.300 1
1357 128 128 ASN H H 8.468 0.030 1
1358 128 128 ASN HA H 4.510 0.030 1
1359 128 128 ASN HB2 H 2.864 0.030 2
1360 128 128 ASN HB3 H 2.828 0.030 2
1361 128 128 ASN HD21 H 7.634 0.030 2
1362 128 128 ASN HD22 H 7.048 0.030 2
1363 128 128 ASN C C 175.971 0.300 1
1364 128 128 ASN CA C 55.385 0.300 1
1365 128 128 ASN CB C 36.847 0.300 1
1366 128 128 ASN N N 120.562 0.300 1
1367 128 128 ASN ND2 N 113.957 0.300 1
1368 129 129 LEU H H 8.164 0.030 1
1369 129 129 LEU HA H 4.470 0.030 1
1370 129 129 LEU HB2 H 1.625 0.030 2
1371 129 129 LEU HB3 H 2.044 0.030 2
1372 129 129 LEU HD1 H 0.983 0.030 1
1373 129 129 LEU HD2 H 0.901 0.030 1
1374 129 129 LEU HG H 1.631 0.030 1
1375 129 129 LEU C C 179.031 0.300 1
1376 129 129 LEU CA C 54.749 0.300 1
1377 129 129 LEU CB C 41.787 0.300 1
1378 129 129 LEU CD1 C 26.067 0.300 2
1379 129 129 LEU CD2 C 22.765 0.300 2
1380 129 129 LEU CG C 27.152 0.300 1
1381 129 129 LEU N N 118.067 0.300 1
1382 130 130 ARG H H 7.766 0.030 1
1383 130 130 ARG HA H 3.841 0.030 1
1384 130 130 ARG HB2 H 1.636 0.030 2
1385 130 130 ARG HB3 H 1.003 0.030 2
1386 130 130 ARG HD2 H 2.729 0.030 2
1387 130 130 ARG HD3 H 2.670 0.030 2
1388 130 130 ARG HG2 H 1.098 0.030 2
1389 130 130 ARG HG3 H 0.907 0.030 2
1390 130 130 ARG C C 177.504 0.300 1
1391 130 130 ARG CA C 59.257 0.300 1
1392 130 130 ARG CB C 29.658 0.300 1
1393 130 130 ARG CD C 43.607 0.300 1
1394 130 130 ARG CG C 26.422 0.300 1
1395 130 130 ARG N N 126.390 0.300 1
1396 131 131 GLY HA2 H 4.045 0.030 2
1397 131 131 GLY HA3 H 3.846 0.030 2
1398 131 131 GLY C C 174.644 0.300 1
1399 131 131 GLY CA C 46.072 0.300 1
1400 132 132 LYS H H 7.716 0.030 1
1401 132 132 LYS HA H 4.590 0.030 1
1402 132 132 LYS HB2 H 1.508 0.030 2
1403 132 132 LYS HB3 H 2.069 0.030 2
1404 132 132 LYS HD2 H 1.716 0.030 1
1405 132 132 LYS HD3 H 1.716 0.030 1
1406 132 132 LYS HE2 H 3.008 0.030 1
1407 132 132 LYS HE3 H 3.008 0.030 1
1408 132 132 LYS HG2 H 1.412 0.030 2
1409 132 132 LYS HG3 H 1.329 0.030 2
1410 132 132 LYS C C 175.363 0.300 1
1411 132 132 LYS CA C 55.477 0.300 1
1412 132 132 LYS CB C 34.321 0.300 1
1413 132 132 LYS CD C 29.214 0.300 1
1414 132 132 LYS CE C 41.895 0.300 1
1415 132 132 LYS CG C 24.886 0.300 1
1416 132 132 LYS N N 118.939 0.300 1
1417 133 133 HIS H H 7.689 0.030 1
1418 133 133 HIS HA H 4.795 0.030 1
1419 133 133 HIS HB2 H 3.239 0.030 2
1420 133 133 HIS HB3 H 3.395 0.030 2
1421 133 133 HIS HD2 H 6.865 0.030 1
1422 133 133 HIS HE1 H 8.162 0.030 1
1423 133 133 HIS CA C 55.932 0.300 1
1424 133 133 HIS CB C 30.390 0.300 1
1425 133 133 HIS CD2 C 128.406 0.300 1
1426 133 133 HIS CE1 C 139.545 0.300 1
1427 133 133 HIS N N 116.248 0.300 1
1428 134 134 LYS H H 8.674 0.030 1
1429 134 134 LYS HA H 4.314 0.030 1
1430 134 134 LYS HB2 H 1.686 0.030 2
1431 134 134 LYS HB3 H 1.779 0.030 2
1432 134 134 LYS HD2 H 1.749 0.030 2
1433 134 134 LYS HD3 H 1.665 0.030 2
1434 134 134 LYS HE2 H 2.987 0.030 1
1435 134 134 LYS HE3 H 2.987 0.030 1
1436 134 134 LYS HG2 H 1.339 0.030 2
1437 134 134 LYS HG3 H 1.418 0.030 2
1438 134 134 LYS CA C 55.389 0.300 1
1439 134 134 LYS CB C 32.604 0.300 1
1440 134 134 LYS CD C 29.268 0.300 1
1441 134 134 LYS CE C 42.078 0.300 1
1442 134 134 LYS CG C 24.593 0.300 1
1443 135 135 CYS H H 8.022 0.030 1
1444 135 135 CYS HA H 4.074 0.030 1
1445 135 135 CYS HB2 H 2.380 0.030 2
1446 135 135 CYS HB3 H 2.815 0.030 2
1447 135 135 CYS C C 175.928 0.300 1
1448 135 135 CYS CA C 61.543 0.300 1
1449 135 135 CYS CB C 30.458 0.300 1
1450 135 135 CYS N N 126.820 0.300 1
1451 136 136 ILE H H 8.123 0.030 1
1452 136 136 ILE HA H 4.078 0.030 1
1453 136 136 ILE HB H 1.878 0.030 1
1454 136 136 ILE HD1 H 0.919 0.030 1
1455 136 136 ILE HG12 H 1.265 0.030 2
1456 136 136 ILE HG13 H 1.562 0.030 2
1457 136 136 ILE HG2 H 0.954 0.030 1
1458 136 136 ILE C C 175.769 0.300 1
1459 136 136 ILE CA C 61.361 0.300 1
1460 136 136 ILE CB C 39.022 0.300 1
1461 136 136 ILE CD1 C 13.160 0.300 1
1462 136 136 ILE CG1 C 27.385 0.300 1
1463 136 136 ILE CG2 C 17.798 0.300 1
1464 136 136 ILE N N 122.568 0.300 1
1465 137 137 GLU H H 8.400 0.030 1
1466 137 137 GLU HA H 4.367 0.030 1
1467 137 137 GLU HB2 H 2.070 0.030 2
1468 137 137 GLU HB3 H 1.903 0.030 2
1469 137 137 GLU HG2 H 2.245 0.030 1
1470 137 137 GLU HG3 H 2.245 0.030 1
1471 137 137 GLU C C 176.438 0.300 1
1472 137 137 GLU CA C 56.260 0.300 1
1473 137 137 GLU CB C 30.502 0.300 1
1474 137 137 GLU CG C 36.210 0.300 1
1475 137 137 GLU N N 124.589 0.300 1
1476 138 138 SER H H 8.386 0.030 1
1477 138 138 SER HA H 4.511 0.030 1
1478 138 138 SER HB2 H 3.888 0.030 1
1479 138 138 SER HB3 H 3.888 0.030 1
1480 138 138 SER C C 174.601 0.300 1
1481 138 138 SER CA C 58.323 0.300 1
1482 138 138 SER CB C 64.094 0.300 1
1483 138 138 SER N N 117.549 0.300 1
1484 139 139 GLY H H 8.326 0.030 1
1485 139 139 GLY HA2 H 4.071 0.030 2
1486 139 139 GLY HA3 H 4.220 0.030 2
1487 139 139 GLY C C 171.811 0.300 1
1488 139 139 GLY CA C 44.642 0.300 1
1489 139 139 GLY N N 110.850 0.300 1
1490 140 140 PRO HA H 4.464 0.030 1
1491 140 140 PRO HB2 H 2.284 0.030 2
1492 140 140 PRO HB3 H 1.942 0.030 2
1493 140 140 PRO HD2 H 3.647 0.030 1
1494 140 140 PRO HD3 H 3.647 0.030 1
1495 140 140 PRO HG2 H 2.036 0.030 1
1496 140 140 PRO HG3 H 2.036 0.030 1
1497 140 140 PRO C C 177.452 0.300 1
1498 140 140 PRO CA C 63.308 0.300 1
1499 140 140 PRO CB C 32.108 0.300 1
1500 140 140 PRO CD C 49.811 0.300 1
1501 140 140 PRO CG C 27.418 0.300 1
1502 141 141 SER H H 8.514 0.030 1
1503 141 141 SER HA H 4.251 0.030 1
1504 141 141 SER HB2 H 4.340 0.030 1
1505 141 141 SER HB3 H 4.340 0.030 1
1506 141 141 SER C C 173.995 0.300 1
1507 141 141 SER CA C 58.391 0.300 1
1508 141 141 SER CB C 63.887 0.300 1
1509 141 141 SER N N 116.466 0.300 1
stop_
save_