data_11227
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the second fn3 domain from human Ephrin type-B receptor 4
;
_BMRB_accession_number 11227
_BMRB_flat_file_name bmr11227.str
_Entry_type original
_Submission_date 2010-07-23
_Accession_date 2010-07-23
_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 Qin X. . .
2 Hayashi F. . .
3 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" 571
"13C chemical shifts" 428
"15N chemical shifts" 94
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-03 original author .
stop_
_Original_release_date 2011-08-03
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the second fn3 domain from human Ephrin type-B receptor 4'
_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 Qin X. . .
2 Hayashi F. . .
3 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 'Ephrin type-B receptor 4'
_Enzyme_commission_number E.C.2.7.10.1
loop_
_Mol_system_component_name
_Mol_label
'FN3 domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'FN3 domain'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 109
_Mol_residue_sequence
;
GSSGSSGPPAVSDIRVTRSS
PSSLSLAWAVPRAPSGAVLD
YEVKYHEKGAEGPSSVRFLK
TSENRAELRGLKRGASYLVQ
VRARSEAGYGPFGQEHHSQT
QLDSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PRO 9 PRO 10 ALA
11 VAL 12 SER 13 ASP 14 ILE 15 ARG
16 VAL 17 THR 18 ARG 19 SER 20 SER
21 PRO 22 SER 23 SER 24 LEU 25 SER
26 LEU 27 ALA 28 TRP 29 ALA 30 VAL
31 PRO 32 ARG 33 ALA 34 PRO 35 SER
36 GLY 37 ALA 38 VAL 39 LEU 40 ASP
41 TYR 42 GLU 43 VAL 44 LYS 45 TYR
46 HIS 47 GLU 48 LYS 49 GLY 50 ALA
51 GLU 52 GLY 53 PRO 54 SER 55 SER
56 VAL 57 ARG 58 PHE 59 LEU 60 LYS
61 THR 62 SER 63 GLU 64 ASN 65 ARG
66 ALA 67 GLU 68 LEU 69 ARG 70 GLY
71 LEU 72 LYS 73 ARG 74 GLY 75 ALA
76 SER 77 TYR 78 LEU 79 VAL 80 GLN
81 VAL 82 ARG 83 ALA 84 ARG 85 SER
86 GLU 87 ALA 88 GLY 89 TYR 90 GLY
91 PRO 92 PHE 93 GLY 94 GLN 95 GLU
96 HIS 97 HIS 98 SER 99 GLN 100 THR
101 GLN 102 LEU 103 ASP 104 SER 105 GLY
106 PRO 107 SER 108 SER 109 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-07-29
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 2E7H "Solution Structure Of The Second Fn3 Domain From Human Ephrin Type-B Receptor 4" 100.00 109 100.00 100.00 2.81e-69
DBJ BAD92881 "ephrin receptor EphB4 precursor variant [Homo sapiens]" 88.07 986 100.00 100.00 2.66e-55
GB AAA20598 "tyrosine kinase [Homo sapiens]" 88.07 987 98.96 98.96 2.42e-54
GB AAH04264 "EPHB4 protein, partial [Homo sapiens]" 88.07 845 100.00 100.00 1.04e-55
GB AAH52804 "EPH receptor B4 [Homo sapiens]" 88.07 987 100.00 100.00 2.81e-55
GB AAK21010 "ephrin type-B receptor 4 precursor [Homo sapiens]" 88.07 987 100.00 100.00 2.37e-55
GB AAL14194 "receptor protein tyrosine kinase EphB4 [Homo sapiens]" 88.07 987 100.00 100.00 2.37e-55
REF NP_001193197 "ephrin type-B receptor 4 precursor [Bos taurus]" 88.07 987 98.96 98.96 9.99e-55
REF NP_004435 "ephrin type-B receptor 4 precursor [Homo sapiens]" 88.07 987 100.00 100.00 2.37e-55
REF XP_002711965 "PREDICTED: ephrin type-B receptor 4 [Oryctolagus cuniculus]" 88.07 987 100.00 100.00 1.75e-55
REF XP_002803271 "PREDICTED: ephrin type-B receptor 4-like [Macaca mulatta]" 88.07 893 100.00 100.00 7.85e-56
REF XP_002806627 "PREDICTED: LOW QUALITY PROTEIN: ephrin type-B receptor 4 [Callithrix jacchus]" 88.07 987 98.96 98.96 8.60e-55
SP P54760 "RecName: Full=Ephrin type-B receptor 4; AltName: Full=Hepatoma transmembrane kinase; AltName: Full=Tyrosine-protein kinase TYRO" 88.07 987 100.00 100.00 2.37e-55
TPG DAA15196 "TPA: ephrin receptor EphB3-like [Bos taurus]" 88.07 987 98.96 98.96 1.02e-54
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050919-21
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
0.80mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.80 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_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
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 0.9816
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 Varian
_Model INOVA
_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
$VNMR
$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 'FN3 domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 6 6 SER HA H 4.538 0.030 1
2 6 6 SER HB2 H 3.857 0.030 1
3 6 6 SER HB3 H 3.857 0.030 1
4 6 6 SER C C 174.129 0.300 1
5 6 6 SER CA C 58.196 0.300 1
6 6 6 SER CB C 64.034 0.300 1
7 7 7 GLY H H 8.120 0.030 1
8 7 7 GLY HA2 H 3.691 0.030 2
9 7 7 GLY HA3 H 3.907 0.030 2
10 7 7 GLY C C 170.193 0.300 1
11 7 7 GLY CA C 44.168 0.300 1
12 7 7 GLY N N 109.322 0.300 1
13 8 8 PRO HA H 4.636 0.030 1
14 8 8 PRO HB2 H 1.824 0.030 2
15 8 8 PRO HB3 H 2.066 0.030 2
16 8 8 PRO HD2 H 3.707 0.030 2
17 8 8 PRO HD3 H 3.419 0.030 2
18 8 8 PRO HG2 H 1.832 0.030 2
19 8 8 PRO HG3 H 1.709 0.030 2
20 8 8 PRO CA C 61.597 0.300 1
21 8 8 PRO CB C 30.731 0.300 1
22 8 8 PRO CD C 49.382 0.300 1
23 8 8 PRO CG C 27.761 0.300 1
24 9 9 PRO HA H 4.576 0.030 1
25 9 9 PRO HB2 H 2.377 0.030 2
26 9 9 PRO HB3 H 2.047 0.030 2
27 9 9 PRO HD2 H 3.298 0.030 2
28 9 9 PRO HD3 H 3.758 0.030 2
29 9 9 PRO HG2 H 2.088 0.030 2
30 9 9 PRO HG3 H 1.974 0.030 2
31 9 9 PRO C C 175.611 0.300 1
32 9 9 PRO CA C 61.972 0.300 1
33 9 9 PRO CB C 32.511 0.300 1
34 9 9 PRO CD C 50.108 0.300 1
35 9 9 PRO CG C 27.325 0.300 1
36 10 10 ALA H H 8.318 0.030 1
37 10 10 ALA HA H 4.259 0.030 1
38 10 10 ALA HB H 1.290 0.030 1
39 10 10 ALA C C 177.206 0.300 1
40 10 10 ALA CA C 52.222 0.300 1
41 10 10 ALA CB C 19.355 0.300 1
42 10 10 ALA N N 119.567 0.300 1
43 11 11 VAL H H 6.874 0.030 1
44 11 11 VAL HA H 4.183 0.030 1
45 11 11 VAL HB H 1.804 0.030 1
46 11 11 VAL HG1 H 0.641 0.030 1
47 11 11 VAL HG2 H 0.940 0.030 1
48 11 11 VAL C C 175.218 0.300 1
49 11 11 VAL CA C 62.676 0.300 1
50 11 11 VAL CB C 31.920 0.300 1
51 11 11 VAL CG1 C 22.177 0.300 2
52 11 11 VAL CG2 C 22.285 0.300 2
53 11 11 VAL N N 120.851 0.300 1
54 12 12 SER H H 9.120 0.030 1
55 12 12 SER HA H 4.867 0.030 1
56 12 12 SER HB2 H 3.922 0.030 1
57 12 12 SER HB3 H 3.922 0.030 1
58 12 12 SER C C 172.565 0.300 1
59 12 12 SER CA C 57.466 0.300 1
60 12 12 SER CB C 65.948 0.300 1
61 12 12 SER N N 122.954 0.300 1
62 13 13 ASP H H 8.619 0.030 1
63 13 13 ASP HA H 4.505 0.030 1
64 13 13 ASP HB2 H 2.880 0.030 2
65 13 13 ASP HB3 H 2.635 0.030 2
66 13 13 ASP C C 174.709 0.300 1
67 13 13 ASP CA C 54.456 0.300 1
68 13 13 ASP CB C 39.996 0.300 1
69 13 13 ASP N N 119.226 0.300 1
70 14 14 ILE H H 7.741 0.030 1
71 14 14 ILE HA H 4.493 0.030 1
72 14 14 ILE HB H 1.247 0.030 1
73 14 14 ILE HD1 H 0.715 0.030 1
74 14 14 ILE HG12 H 1.402 0.030 2
75 14 14 ILE HG13 H 0.709 0.030 2
76 14 14 ILE HG2 H 0.574 0.030 1
77 14 14 ILE C C 175.345 0.300 1
78 14 14 ILE CA C 61.644 0.300 1
79 14 14 ILE CB C 38.871 0.300 1
80 14 14 ILE CD1 C 14.640 0.300 1
81 14 14 ILE CG1 C 28.970 0.300 1
82 14 14 ILE CG2 C 17.693 0.300 1
83 14 14 ILE N N 119.813 0.300 1
84 15 15 ARG H H 9.228 0.030 1
85 15 15 ARG HA H 4.631 0.030 1
86 15 15 ARG HB2 H 1.692 0.030 2
87 15 15 ARG HB3 H 1.653 0.030 2
88 15 15 ARG HD2 H 3.070 0.030 2
89 15 15 ARG HD3 H 3.152 0.030 2
90 15 15 ARG HG2 H 1.430 0.030 2
91 15 15 ARG HG3 H 1.550 0.030 2
92 15 15 ARG C C 174.628 0.300 1
93 15 15 ARG CA C 54.302 0.300 1
94 15 15 ARG CB C 32.850 0.300 1
95 15 15 ARG CD C 43.323 0.300 1
96 15 15 ARG CG C 26.745 0.300 1
97 15 15 ARG N N 125.944 0.300 1
98 16 16 VAL H H 8.663 0.030 1
99 16 16 VAL HA H 4.709 0.030 1
100 16 16 VAL HB H 2.089 0.030 1
101 16 16 VAL HG1 H 0.932 0.030 1
102 16 16 VAL HG2 H 0.944 0.030 1
103 16 16 VAL C C 176.853 0.300 1
104 16 16 VAL CA C 61.323 0.300 1
105 16 16 VAL CB C 32.697 0.300 1
106 16 16 VAL CG1 C 22.065 0.300 2
107 16 16 VAL CG2 C 21.466 0.300 2
108 16 16 VAL N N 123.764 0.300 1
109 17 17 THR H H 9.096 0.030 1
110 17 17 THR HA H 4.386 0.030 1
111 17 17 THR HB H 4.119 0.030 1
112 17 17 THR HG2 H 1.063 0.030 1
113 17 17 THR C C 174.390 0.300 1
114 17 17 THR CA C 61.706 0.300 1
115 17 17 THR CB C 69.543 0.300 1
116 17 17 THR CG2 C 22.246 0.300 1
117 17 17 THR N N 121.390 0.300 1
118 18 18 ARG H H 8.385 0.030 1
119 18 18 ARG HA H 4.541 0.030 1
120 18 18 ARG HB2 H 1.801 0.030 2
121 18 18 ARG HB3 H 1.858 0.030 2
122 18 18 ARG HD2 H 3.261 0.030 1
123 18 18 ARG HD3 H 3.261 0.030 1
124 18 18 ARG HG2 H 1.548 0.030 2
125 18 18 ARG HG3 H 1.768 0.030 2
126 18 18 ARG CA C 57.212 0.300 1
127 18 18 ARG CB C 30.427 0.300 1
128 18 18 ARG CD C 43.679 0.300 1
129 18 18 ARG CG C 27.449 0.300 1
130 19 19 SER H H 8.421 0.030 1
131 19 19 SER HA H 4.909 0.030 1
132 19 19 SER HB2 H 3.987 0.030 2
133 19 19 SER HB3 H 3.874 0.030 2
134 19 19 SER C C 172.965 0.300 1
135 19 19 SER CA C 57.222 0.300 1
136 19 19 SER CB C 65.355 0.300 1
137 20 20 SER H H 8.712 0.030 1
138 20 20 SER HA H 5.015 0.030 1
139 20 20 SER HB2 H 4.323 0.030 2
140 20 20 SER HB3 H 3.892 0.030 2
141 20 20 SER C C 172.929 0.300 1
142 20 20 SER CA C 57.950 0.300 1
143 20 20 SER CB C 64.159 0.300 1
144 20 20 SER N N 120.713 0.300 1
145 21 21 PRO HA H 4.826 0.030 1
146 21 21 PRO HB2 H 2.374 0.030 2
147 21 21 PRO HB3 H 1.874 0.030 2
148 21 21 PRO HD2 H 3.768 0.030 2
149 21 21 PRO HD3 H 3.984 0.030 2
150 21 21 PRO HG2 H 1.858 0.030 2
151 21 21 PRO HG3 H 2.170 0.030 2
152 21 21 PRO C C 174.865 0.300 1
153 21 21 PRO CA C 65.420 0.300 1
154 21 21 PRO CB C 32.050 0.300 1
155 21 21 PRO CD C 50.927 0.300 1
156 21 21 PRO CG C 28.441 0.300 1
157 22 22 SER H H 7.774 0.030 1
158 22 22 SER HA H 4.659 0.030 1
159 22 22 SER HB2 H 4.260 0.030 2
160 22 22 SER HB3 H 3.591 0.030 2
161 22 22 SER C C 173.194 0.300 1
162 22 22 SER CA C 56.083 0.300 1
163 22 22 SER CB C 65.535 0.300 1
164 22 22 SER N N 104.756 0.300 1
165 23 23 SER H H 7.558 0.030 1
166 23 23 SER HA H 5.339 0.030 1
167 23 23 SER HB2 H 3.735 0.030 2
168 23 23 SER HB3 H 3.888 0.030 2
169 23 23 SER C C 171.959 0.300 1
170 23 23 SER CA C 57.349 0.300 1
171 23 23 SER CB C 67.191 0.300 1
172 23 23 SER N N 115.555 0.300 1
173 24 24 LEU H H 8.262 0.030 1
174 24 24 LEU HA H 4.854 0.030 1
175 24 24 LEU HB2 H 1.316 0.030 2
176 24 24 LEU HB3 H 1.170 0.030 2
177 24 24 LEU HD1 H 0.556 0.030 1
178 24 24 LEU HD2 H 0.876 0.030 1
179 24 24 LEU HG H 1.315 0.030 1
180 24 24 LEU C C 175.053 0.300 1
181 24 24 LEU CA C 53.739 0.300 1
182 24 24 LEU CB C 47.447 0.300 1
183 24 24 LEU CD1 C 25.713 0.300 2
184 24 24 LEU CD2 C 23.628 0.300 2
185 24 24 LEU CG C 26.105 0.300 1
186 24 24 LEU N N 118.852 0.300 1
187 25 25 SER H H 8.959 0.030 1
188 25 25 SER HA H 5.144 0.030 1
189 25 25 SER HB2 H 3.852 0.030 2
190 25 25 SER HB3 H 3.699 0.030 2
191 25 25 SER C C 173.124 0.300 1
192 25 25 SER CA C 57.543 0.300 1
193 25 25 SER CB C 63.325 0.300 1
194 25 25 SER N N 118.341 0.300 1
195 26 26 LEU H H 9.135 0.030 1
196 26 26 LEU HA H 5.557 0.030 1
197 26 26 LEU HB2 H 1.847 0.030 2
198 26 26 LEU HB3 H 1.613 0.030 2
199 26 26 LEU HD1 H 0.754 0.030 1
200 26 26 LEU HD2 H 0.756 0.030 1
201 26 26 LEU HG H 1.620 0.030 1
202 26 26 LEU C C 176.669 0.300 1
203 26 26 LEU CA C 53.198 0.300 1
204 26 26 LEU CB C 46.904 0.300 1
205 26 26 LEU CD1 C 26.727 0.300 2
206 26 26 LEU CD2 C 25.464 0.300 2
207 26 26 LEU CG C 27.894 0.300 1
208 26 26 LEU N N 124.391 0.300 1
209 27 27 ALA H H 8.919 0.030 1
210 27 27 ALA HA H 4.353 0.030 1
211 27 27 ALA HB H 1.212 0.030 1
212 27 27 ALA C C 174.819 0.300 1
213 27 27 ALA CA C 51.637 0.300 1
214 27 27 ALA CB C 23.183 0.300 1
215 27 27 ALA N N 123.718 0.300 1
216 28 28 TRP H H 6.943 0.030 1
217 28 28 TRP HA H 5.246 0.030 1
218 28 28 TRP HB2 H 3.255 0.030 2
219 28 28 TRP HB3 H 2.930 0.030 2
220 28 28 TRP HD1 H 6.886 0.030 1
221 28 28 TRP HE1 H 5.964 0.030 1
222 28 28 TRP HE3 H 6.794 0.030 1
223 28 28 TRP HH2 H 6.523 0.030 1
224 28 28 TRP HZ2 H 6.767 0.030 1
225 28 28 TRP HZ3 H 6.472 0.030 1
226 28 28 TRP C C 173.987 0.300 1
227 28 28 TRP CA C 55.940 0.300 1
228 28 28 TRP CB C 30.353 0.300 1
229 28 28 TRP CD1 C 127.122 0.300 1
230 28 28 TRP CE3 C 118.400 0.300 1
231 28 28 TRP CH2 C 123.591 0.300 1
232 28 28 TRP CZ2 C 114.639 0.300 1
233 28 28 TRP CZ3 C 120.456 0.300 1
234 28 28 TRP N N 114.480 0.300 1
235 28 28 TRP NE1 N 124.526 0.300 1
236 29 29 ALA H H 8.056 0.030 1
237 29 29 ALA HA H 4.552 0.030 1
238 29 29 ALA HB H 1.464 0.030 1
239 29 29 ALA C C 178.357 0.300 1
240 29 29 ALA CA C 51.389 0.300 1
241 29 29 ALA CB C 19.784 0.300 1
242 29 29 ALA N N 121.512 0.300 1
243 30 30 VAL H H 8.612 0.030 1
244 30 30 VAL HA H 4.444 0.030 1
245 30 30 VAL HB H 2.060 0.030 1
246 30 30 VAL HG1 H 1.085 0.030 1
247 30 30 VAL HG2 H 1.133 0.030 1
248 30 30 VAL C C 175.715 0.300 1
249 30 30 VAL CA C 60.777 0.300 1
250 30 30 VAL CB C 32.572 0.300 1
251 30 30 VAL CG1 C 21.060 0.300 2
252 30 30 VAL CG2 C 20.129 0.300 2
253 30 30 VAL N N 124.007 0.300 1
254 31 31 PRO HA H 4.621 0.030 1
255 31 31 PRO HB2 H 2.383 0.030 2
256 31 31 PRO HB3 H 1.727 0.030 2
257 31 31 PRO HD2 H 4.229 0.030 2
258 31 31 PRO HD3 H 4.549 0.030 2
259 31 31 PRO HG2 H 1.980 0.030 2
260 31 31 PRO HG3 H 2.090 0.030 2
261 31 31 PRO C C 175.447 0.300 1
262 31 31 PRO CA C 62.427 0.300 1
263 31 31 PRO CB C 32.456 0.300 1
264 31 31 PRO CD C 51.113 0.300 1
265 31 31 PRO CG C 27.130 0.300 1
266 32 32 ARG H H 8.506 0.030 1
267 32 32 ARG HA H 4.305 0.030 1
268 32 32 ARG HB2 H 1.797 0.030 2
269 32 32 ARG HB3 H 1.759 0.030 2
270 32 32 ARG HD2 H 3.221 0.030 1
271 32 32 ARG HD3 H 3.221 0.030 1
272 32 32 ARG HG2 H 1.694 0.030 2
273 32 32 ARG HG3 H 1.570 0.030 2
274 32 32 ARG C C 175.157 0.300 1
275 32 32 ARG CA C 55.687 0.300 1
276 32 32 ARG CB C 29.948 0.300 1
277 32 32 ARG CD C 43.311 0.300 1
278 32 32 ARG CG C 27.180 0.300 1
279 32 32 ARG N N 121.654 0.300 1
280 33 33 ALA H H 8.315 0.030 1
281 33 33 ALA HA H 4.645 0.030 1
282 33 33 ALA HB H 1.313 0.030 1
283 33 33 ALA C C 175.545 0.300 1
284 33 33 ALA CA C 49.956 0.300 1
285 33 33 ALA CB C 18.973 0.300 1
286 33 33 ALA N N 127.974 0.300 1
287 34 34 PRO HA H 4.358 0.030 1
288 34 34 PRO HB2 H 2.326 0.030 2
289 34 34 PRO HB3 H 1.973 0.030 2
290 34 34 PRO HD2 H 3.696 0.030 1
291 34 34 PRO HD3 H 3.696 0.030 1
292 34 34 PRO HG2 H 2.052 0.030 2
293 34 34 PRO HG3 H 2.001 0.030 2
294 34 34 PRO CA C 64.344 0.300 1
295 34 34 PRO CB C 31.833 0.300 1
296 34 34 PRO CD C 50.652 0.300 1
297 34 34 PRO CG C 27.511 0.300 1
298 35 35 SER H H 7.822 0.030 1
299 35 35 SER HA H 4.399 0.030 1
300 35 35 SER HB2 H 3.840 0.030 2
301 35 35 SER HB3 H 3.893 0.030 2
302 35 35 SER C C 174.619 0.300 1
303 35 35 SER CA C 58.339 0.300 1
304 35 35 SER CB C 63.587 0.300 1
305 35 35 SER N N 111.483 0.300 1
306 36 36 GLY H H 8.172 0.030 1
307 36 36 GLY HA2 H 4.205 0.030 2
308 36 36 GLY HA3 H 3.797 0.030 2
309 36 36 GLY C C 172.753 0.300 1
310 36 36 GLY CA C 45.310 0.300 1
311 36 36 GLY N N 111.493 0.300 1
312 37 37 ALA H H 8.282 0.030 1
313 37 37 ALA HA H 4.367 0.030 1
314 37 37 ALA HB H 1.326 0.030 1
315 37 37 ALA C C 177.494 0.300 1
316 37 37 ALA CA C 52.037 0.300 1
317 37 37 ALA CB C 20.295 0.300 1
318 37 37 ALA N N 123.477 0.300 1
319 38 38 VAL H H 8.325 0.030 1
320 38 38 VAL HA H 3.620 0.030 1
321 38 38 VAL HB H 1.931 0.030 1
322 38 38 VAL HG1 H 0.589 0.030 1
323 38 38 VAL HG2 H 0.880 0.030 1
324 38 38 VAL C C 176.019 0.300 1
325 38 38 VAL CA C 63.581 0.300 1
326 38 38 VAL CB C 31.930 0.300 1
327 38 38 VAL CG1 C 22.293 0.300 2
328 38 38 VAL CG2 C 22.533 0.300 2
329 38 38 VAL N N 119.451 0.300 1
330 39 39 LEU H H 9.079 0.030 1
331 39 39 LEU HA H 4.292 0.030 1
332 39 39 LEU HB2 H 1.295 0.030 1
333 39 39 LEU HB3 H 1.295 0.030 1
334 39 39 LEU HD1 H 0.654 0.030 1
335 39 39 LEU HD2 H 0.751 0.030 1
336 39 39 LEU HG H 1.579 0.030 1
337 39 39 LEU C C 176.940 0.300 1
338 39 39 LEU CA C 56.181 0.300 1
339 39 39 LEU CB C 43.136 0.300 1
340 39 39 LEU CD1 C 25.318 0.300 2
341 39 39 LEU CD2 C 22.193 0.300 2
342 39 39 LEU CG C 27.160 0.300 1
343 39 39 LEU N N 128.448 0.300 1
344 40 40 ASP H H 7.488 0.030 1
345 40 40 ASP HA H 4.313 0.030 1
346 40 40 ASP HB2 H 3.216 0.030 2
347 40 40 ASP HB3 H 2.920 0.030 2
348 40 40 ASP C C 171.808 0.300 1
349 40 40 ASP CA C 53.200 0.300 1
350 40 40 ASP CB C 41.739 0.300 1
351 40 40 ASP N N 113.349 0.300 1
352 41 41 TYR H H 9.063 0.030 1
353 41 41 TYR HA H 5.604 0.030 1
354 41 41 TYR HB2 H 3.147 0.030 2
355 41 41 TYR HB3 H 2.980 0.030 2
356 41 41 TYR HD1 H 6.898 0.030 3
357 41 41 TYR HD2 H 7.263 0.030 3
358 41 41 TYR HE1 H 6.682 0.030 1
359 41 41 TYR HE2 H 6.682 0.030 1
360 41 41 TYR C C 176.563 0.300 1
361 41 41 TYR CA C 56.519 0.300 1
362 41 41 TYR CB C 42.799 0.300 1
363 41 41 TYR CD1 C 131.048 0.300 3
364 41 41 TYR CD2 C 131.632 0.300 3
365 41 41 TYR CE1 C 117.350 0.300 1
366 41 41 TYR CE2 C 117.350 0.300 1
367 41 41 TYR N N 111.140 0.300 1
368 42 42 GLU H H 9.491 0.030 1
369 42 42 GLU HA H 5.368 0.030 1
370 42 42 GLU HB2 H 2.062 0.030 2
371 42 42 GLU HB3 H 1.894 0.030 2
372 42 42 GLU HG2 H 2.248 0.030 1
373 42 42 GLU HG3 H 2.248 0.030 1
374 42 42 GLU C C 173.644 0.300 1
375 42 42 GLU CA C 55.613 0.300 1
376 42 42 GLU CB C 34.737 0.300 1
377 42 42 GLU CG C 38.581 0.300 1
378 42 42 GLU N N 123.650 0.300 1
379 43 43 VAL H H 9.698 0.030 1
380 43 43 VAL HA H 4.715 0.030 1
381 43 43 VAL HB H 2.230 0.030 1
382 43 43 VAL HG1 H 0.816 0.030 1
383 43 43 VAL HG2 H 0.817 0.030 1
384 43 43 VAL C C 174.469 0.300 1
385 43 43 VAL CA C 60.775 0.300 1
386 43 43 VAL CB C 33.466 0.300 1
387 43 43 VAL CG1 C 21.797 0.300 2
388 43 43 VAL CG2 C 21.821 0.300 2
389 43 43 VAL N N 127.945 0.300 1
390 44 44 LYS H H 9.398 0.030 1
391 44 44 LYS HA H 5.108 0.030 1
392 44 44 LYS HB2 H 1.322 0.030 2
393 44 44 LYS HB3 H 1.185 0.030 2
394 44 44 LYS HD2 H 0.966 0.030 2
395 44 44 LYS HD3 H 1.199 0.030 2
396 44 44 LYS HE2 H 2.103 0.030 2
397 44 44 LYS HE3 H 2.272 0.030 2
398 44 44 LYS HG2 H 0.613 0.030 2
399 44 44 LYS HG3 H 0.763 0.030 2
400 44 44 LYS C C 174.981 0.300 1
401 44 44 LYS CA C 54.075 0.300 1
402 44 44 LYS CB C 36.569 0.300 1
403 44 44 LYS CD C 29.215 0.300 1
404 44 44 LYS CE C 41.310 0.300 1
405 44 44 LYS CG C 24.049 0.300 1
406 44 44 LYS N N 129.003 0.300 1
407 45 45 TYR H H 8.999 0.030 1
408 45 45 TYR HA H 5.963 0.030 1
409 45 45 TYR HB2 H 2.885 0.030 2
410 45 45 TYR HB3 H 2.578 0.030 2
411 45 45 TYR HD1 H 6.636 0.030 1
412 45 45 TYR HD2 H 6.636 0.030 1
413 45 45 TYR HE1 H 6.403 0.030 1
414 45 45 TYR HE2 H 6.403 0.030 1
415 45 45 TYR C C 173.288 0.300 1
416 45 45 TYR CA C 55.190 0.300 1
417 45 45 TYR CB C 42.055 0.300 1
418 45 45 TYR CD1 C 133.271 0.300 1
419 45 45 TYR CD2 C 133.271 0.300 1
420 45 45 TYR CE1 C 117.907 0.300 1
421 45 45 TYR CE2 C 117.907 0.300 1
422 45 45 TYR N N 121.959 0.300 1
423 46 46 HIS H H 8.290 0.030 1
424 46 46 HIS HA H 5.007 0.030 1
425 46 46 HIS HB2 H 3.200 0.030 2
426 46 46 HIS HB3 H 3.027 0.030 2
427 46 46 HIS HD2 H 6.674 0.030 1
428 46 46 HIS HE1 H 8.168 0.030 1
429 46 46 HIS C C 172.783 0.300 1
430 46 46 HIS CA C 54.073 0.300 1
431 46 46 HIS CB C 32.604 0.300 1
432 46 46 HIS CD2 C 117.783 0.300 1
433 46 46 HIS CE1 C 137.492 0.300 1
434 46 46 HIS N N 113.903 0.300 1
435 47 47 GLU H H 9.258 0.030 1
436 47 47 GLU HA H 3.687 0.030 1
437 47 47 GLU HB2 H 1.824 0.030 2
438 47 47 GLU HB3 H 1.719 0.030 2
439 47 47 GLU HG2 H 1.970 0.030 2
440 47 47 GLU HG3 H 1.906 0.030 2
441 47 47 GLU C C 176.665 0.300 1
442 47 47 GLU CA C 55.972 0.300 1
443 47 47 GLU CB C 30.081 0.300 1
444 47 47 GLU CG C 35.769 0.300 1
445 47 47 GLU N N 125.042 0.300 1
446 48 48 LYS H H 8.483 0.030 1
447 48 48 LYS HA H 3.852 0.030 1
448 48 48 LYS HB2 H 1.678 0.030 2
449 48 48 LYS HB3 H 1.261 0.030 2
450 48 48 LYS HD2 H 1.550 0.030 1
451 48 48 LYS HD3 H 1.550 0.030 1
452 48 48 LYS HE2 H 2.875 0.030 1
453 48 48 LYS HE3 H 2.875 0.030 1
454 48 48 LYS HG2 H 1.270 0.030 1
455 48 48 LYS HG3 H 1.270 0.030 1
456 48 48 LYS C C 177.076 0.300 1
457 48 48 LYS CA C 58.238 0.300 1
458 48 48 LYS CB C 32.589 0.300 1
459 48 48 LYS CD C 29.568 0.300 1
460 48 48 LYS CE C 41.901 0.300 1
461 48 48 LYS CG C 25.000 0.300 1
462 48 48 LYS N N 128.922 0.300 1
463 49 49 GLY H H 9.076 0.030 1
464 49 49 GLY HA2 H 4.193 0.030 2
465 49 49 GLY HA3 H 3.730 0.030 2
466 49 49 GLY C C 173.612 0.300 1
467 49 49 GLY CA C 45.105 0.300 1
468 49 49 GLY N N 115.713 0.300 1
469 50 50 ALA H H 7.913 0.030 1
470 50 50 ALA HA H 4.446 0.030 1
471 50 50 ALA HB H 1.402 0.030 1
472 50 50 ALA C C 177.024 0.300 1
473 50 50 ALA CA C 52.057 0.300 1
474 50 50 ALA CB C 19.537 0.300 1
475 50 50 ALA N N 124.262 0.300 1
476 51 51 GLU H H 8.456 0.030 1
477 51 51 GLU HA H 4.349 0.030 1
478 51 51 GLU HB2 H 2.009 0.030 2
479 51 51 GLU HB3 H 1.786 0.030 2
480 51 51 GLU HG2 H 2.139 0.030 2
481 51 51 GLU HG3 H 2.088 0.030 2
482 51 51 GLU C C 176.710 0.300 1
483 51 51 GLU CA C 55.613 0.300 1
484 51 51 GLU CB C 31.708 0.300 1
485 51 51 GLU CG C 35.973 0.300 1
486 51 51 GLU N N 120.048 0.300 1
487 52 52 GLY H H 8.294 0.030 1
488 52 52 GLY HA2 H 4.036 0.030 2
489 52 52 GLY HA3 H 4.284 0.030 2
490 52 52 GLY C C 173.506 0.300 1
491 52 52 GLY CA C 44.931 0.300 1
492 52 52 GLY N N 109.392 0.300 1
493 53 53 PRO HA H 4.300 0.030 1
494 53 53 PRO HB2 H 2.316 0.030 2
495 53 53 PRO HB3 H 1.999 0.030 2
496 53 53 PRO HD2 H 3.734 0.030 2
497 53 53 PRO HD3 H 3.646 0.030 2
498 53 53 PRO HG2 H 2.020 0.030 2
499 53 53 PRO HG3 H 2.077 0.030 2
500 53 53 PRO CA C 64.730 0.300 1
501 53 53 PRO CB C 31.833 0.300 1
502 53 53 PRO CD C 50.030 0.300 1
503 53 53 PRO CG C 27.288 0.300 1
504 54 54 SER HA H 4.480 0.030 1
505 54 54 SER HB2 H 3.947 0.030 2
506 54 54 SER HB3 H 3.999 0.030 2
507 54 54 SER C C 174.961 0.300 1
508 54 54 SER CA C 59.355 0.300 1
509 54 54 SER CB C 62.972 0.300 1
510 55 55 SER H H 7.934 0.030 1
511 55 55 SER HA H 4.401 0.030 1
512 55 55 SER HB2 H 3.806 0.030 1
513 55 55 SER HB3 H 3.806 0.030 1
514 55 55 SER C C 173.721 0.300 1
515 55 55 SER CA C 59.302 0.300 1
516 55 55 SER CB C 64.185 0.300 1
517 55 55 SER N N 116.227 0.300 1
518 56 56 VAL H H 7.389 0.030 1
519 56 56 VAL HA H 3.983 0.030 1
520 56 56 VAL HB H 1.807 0.030 1
521 56 56 VAL HG1 H 0.447 0.030 1
522 56 56 VAL HG2 H 0.601 0.030 1
523 56 56 VAL C C 174.549 0.300 1
524 56 56 VAL CA C 62.573 0.300 1
525 56 56 VAL CB C 32.025 0.300 1
526 56 56 VAL CG1 C 22.558 0.300 2
527 56 56 VAL CG2 C 21.703 0.300 2
528 56 56 VAL N N 122.187 0.300 1
529 57 57 ARG H H 8.123 0.030 1
530 57 57 ARG HA H 4.480 0.030 1
531 57 57 ARG HB2 H 1.397 0.030 2
532 57 57 ARG HB3 H 0.268 0.030 2
533 57 57 ARG HD2 H 3.119 0.030 1
534 57 57 ARG HD3 H 3.119 0.030 1
535 57 57 ARG HG2 H 1.410 0.030 2
536 57 57 ARG HG3 H 1.455 0.030 2
537 57 57 ARG C C 172.993 0.300 1
538 57 57 ARG CA C 53.746 0.300 1
539 57 57 ARG CB C 33.174 0.300 1
540 57 57 ARG CD C 43.307 0.300 1
541 57 57 ARG CG C 27.089 0.300 1
542 57 57 ARG N N 126.885 0.300 1
543 58 58 PHE H H 8.260 0.030 1
544 58 58 PHE HA H 5.971 0.030 1
545 58 58 PHE HB2 H 3.048 0.030 2
546 58 58 PHE HB3 H 2.809 0.030 2
547 58 58 PHE HD1 H 7.136 0.030 1
548 58 58 PHE HD2 H 7.136 0.030 1
549 58 58 PHE HE1 H 7.179 0.030 1
550 58 58 PHE HE2 H 7.179 0.030 1
551 58 58 PHE HZ H 7.165 0.030 1
552 58 58 PHE C C 176.622 0.300 1
553 58 58 PHE CA C 56.060 0.300 1
554 58 58 PHE CB C 43.962 0.300 1
555 58 58 PHE CD1 C 131.910 0.300 1
556 58 58 PHE CD2 C 131.910 0.300 1
557 58 58 PHE CE1 C 130.720 0.300 1
558 58 58 PHE CE2 C 130.720 0.300 1
559 58 58 PHE CZ C 129.106 0.300 1
560 58 58 PHE N N 115.261 0.300 1
561 59 59 LEU H H 9.521 0.030 1
562 59 59 LEU HA H 4.901 0.030 1
563 59 59 LEU HB2 H 1.774 0.030 1
564 59 59 LEU HB3 H 1.774 0.030 1
565 59 59 LEU HD1 H 0.941 0.030 1
566 59 59 LEU HD2 H 1.097 0.030 1
567 59 59 LEU HG H 1.710 0.030 1
568 59 59 LEU C C 174.897 0.300 1
569 59 59 LEU CA C 54.894 0.300 1
570 59 59 LEU CB C 46.640 0.300 1
571 59 59 LEU CD1 C 26.544 0.300 2
572 59 59 LEU CD2 C 24.848 0.300 2
573 59 59 LEU CG C 27.279 0.300 1
574 59 59 LEU N N 124.471 0.300 1
575 60 60 LYS H H 8.957 0.030 1
576 60 60 LYS HA H 5.543 0.030 1
577 60 60 LYS HB2 H 1.943 0.030 1
578 60 60 LYS HB3 H 1.943 0.030 1
579 60 60 LYS HD2 H 1.763 0.030 1
580 60 60 LYS HD3 H 1.763 0.030 1
581 60 60 LYS HE2 H 3.014 0.030 1
582 60 60 LYS HE3 H 3.014 0.030 1
583 60 60 LYS HG2 H 1.493 0.030 2
584 60 60 LYS HG3 H 1.724 0.030 2
585 60 60 LYS C C 176.194 0.300 1
586 60 60 LYS CA C 55.552 0.300 1
587 60 60 LYS CB C 34.226 0.300 1
588 60 60 LYS CD C 29.295 0.300 1
589 60 60 LYS CE C 41.988 0.300 1
590 60 60 LYS CG C 25.568 0.300 1
591 60 60 LYS N N 126.384 0.300 1
592 61 61 THR H H 8.686 0.030 1
593 61 61 THR HA H 5.142 0.030 1
594 61 61 THR HB H 4.552 0.030 1
595 61 61 THR HG2 H 1.683 0.030 1
596 61 61 THR C C 172.834 0.300 1
597 61 61 THR CA C 59.394 0.300 1
598 61 61 THR CB C 70.222 0.300 1
599 61 61 THR CG2 C 19.910 0.300 1
600 61 61 THR N N 116.231 0.300 1
601 62 62 SER H H 9.117 0.030 1
602 62 62 SER HA H 4.809 0.030 1
603 62 62 SER HB2 H 4.209 0.030 2
604 62 62 SER HB3 H 4.136 0.030 2
605 62 62 SER C C 173.742 0.300 1
606 62 62 SER CA C 59.305 0.300 1
607 62 62 SER CB C 63.677 0.300 1
608 62 62 SER N N 121.031 0.300 1
609 63 63 GLU H H 8.251 0.030 1
610 63 63 GLU HA H 4.894 0.030 1
611 63 63 GLU HB2 H 2.068 0.030 2
612 63 63 GLU HB3 H 1.933 0.030 2
613 63 63 GLU HG2 H 2.271 0.030 1
614 63 63 GLU HG3 H 2.271 0.030 1
615 63 63 GLU C C 174.505 0.300 1
616 63 63 GLU CA C 54.480 0.300 1
617 63 63 GLU CB C 32.690 0.300 1
618 63 63 GLU CG C 35.920 0.300 1
619 63 63 GLU N N 120.602 0.300 1
620 64 64 ASN H H 8.446 0.030 1
621 64 64 ASN HA H 3.574 0.030 1
622 64 64 ASN HB2 H 1.936 0.030 2
623 64 64 ASN HB3 H 1.750 0.030 2
624 64 64 ASN HD21 H 6.836 0.030 2
625 64 64 ASN HD22 H 7.950 0.030 2
626 64 64 ASN C C 173.156 0.300 1
627 64 64 ASN CA C 52.443 0.300 1
628 64 64 ASN CB C 34.298 0.300 1
629 64 64 ASN N N 118.249 0.300 1
630 64 64 ASN ND2 N 115.220 0.300 1
631 65 65 ARG H H 7.079 0.030 1
632 65 65 ARG HA H 3.888 0.030 1
633 65 65 ARG HB2 H 1.655 0.030 2
634 65 65 ARG HB3 H 1.514 0.030 2
635 65 65 ARG HD2 H 2.948 0.030 1
636 65 65 ARG HD3 H 2.948 0.030 1
637 65 65 ARG HG2 H 1.149 0.030 1
638 65 65 ARG HG3 H 1.149 0.030 1
639 65 65 ARG C C 174.178 0.300 1
640 65 65 ARG CA C 54.552 0.300 1
641 65 65 ARG CB C 32.332 0.300 1
642 65 65 ARG CD C 43.325 0.300 1
643 65 65 ARG CG C 25.450 0.300 1
644 65 65 ARG N N 114.478 0.300 1
645 66 66 ALA H H 8.201 0.030 1
646 66 66 ALA HA H 4.598 0.030 1
647 66 66 ALA HB H 1.456 0.030 1
648 66 66 ALA C C 174.459 0.300 1
649 66 66 ALA CA C 51.746 0.300 1
650 66 66 ALA CB C 23.339 0.300 1
651 66 66 ALA N N 118.248 0.300 1
652 67 67 GLU H H 8.422 0.030 1
653 67 67 GLU HA H 4.988 0.030 1
654 67 67 GLU HB2 H 1.781 0.030 2
655 67 67 GLU HB3 H 1.859 0.030 2
656 67 67 GLU HG2 H 2.002 0.030 2
657 67 67 GLU HG3 H 2.053 0.030 2
658 67 67 GLU C C 174.524 0.300 1
659 67 67 GLU CA C 54.575 0.300 1
660 67 67 GLU CB C 31.175 0.300 1
661 67 67 GLU CG C 35.427 0.300 1
662 67 67 GLU N N 121.545 0.300 1
663 68 68 LEU H H 9.052 0.030 1
664 68 68 LEU HA H 4.380 0.030 1
665 68 68 LEU HB2 H 1.498 0.030 2
666 68 68 LEU HB3 H 0.695 0.030 2
667 68 68 LEU HD1 H 0.044 0.030 1
668 68 68 LEU HD2 H 0.131 0.030 1
669 68 68 LEU HG H 1.178 0.030 1
670 68 68 LEU C C 175.167 0.300 1
671 68 68 LEU CA C 53.318 0.300 1
672 68 68 LEU CB C 41.693 0.300 1
673 68 68 LEU CD1 C 24.268 0.300 2
674 68 68 LEU CD2 C 22.575 0.300 2
675 68 68 LEU CG C 26.435 0.300 1
676 68 68 LEU N N 126.217 0.300 1
677 69 69 ARG H H 8.199 0.030 1
678 69 69 ARG HA H 4.774 0.030 1
679 69 69 ARG HB2 H 1.876 0.030 2
680 69 69 ARG HB3 H 1.658 0.030 2
681 69 69 ARG HD2 H 3.151 0.030 1
682 69 69 ARG HD3 H 3.151 0.030 1
683 69 69 ARG HG2 H 1.475 0.030 1
684 69 69 ARG HG3 H 1.475 0.030 1
685 69 69 ARG C C 176.101 0.300 1
686 69 69 ARG CA C 54.547 0.300 1
687 69 69 ARG CB C 33.320 0.300 1
688 69 69 ARG CD C 43.305 0.300 1
689 69 69 ARG CG C 27.942 0.300 1
690 69 69 ARG N N 120.899 0.300 1
691 70 70 GLY H H 8.858 0.030 1
692 70 70 GLY HA2 H 3.898 0.030 1
693 70 70 GLY HA3 H 3.898 0.030 1
694 70 70 GLY C C 175.618 0.300 1
695 70 70 GLY CA C 46.463 0.300 1
696 70 70 GLY N N 108.827 0.300 1
697 71 71 LEU H H 8.237 0.030 1
698 71 71 LEU HA H 4.171 0.030 1
699 71 71 LEU HB2 H 1.387 0.030 2
700 71 71 LEU HB3 H 1.029 0.030 2
701 71 71 LEU HD1 H 0.012 0.030 1
702 71 71 LEU HD2 H 0.103 0.030 1
703 71 71 LEU HG H 1.031 0.030 1
704 71 71 LEU C C 175.943 0.300 1
705 71 71 LEU CA C 53.339 0.300 1
706 71 71 LEU CB C 40.937 0.300 1
707 71 71 LEU CD1 C 25.851 0.300 2
708 71 71 LEU CD2 C 19.950 0.300 2
709 71 71 LEU CG C 26.019 0.300 1
710 71 71 LEU N N 118.701 0.300 1
711 72 72 LYS H H 8.099 0.030 1
712 72 72 LYS HA H 4.227 0.030 1
713 72 72 LYS HB2 H 1.685 0.030 2
714 72 72 LYS HB3 H 1.774 0.030 2
715 72 72 LYS HD2 H 1.649 0.030 1
716 72 72 LYS HD3 H 1.649 0.030 1
717 72 72 LYS HE2 H 2.974 0.030 1
718 72 72 LYS HE3 H 2.974 0.030 1
719 72 72 LYS HG2 H 1.534 0.030 2
720 72 72 LYS HG3 H 1.403 0.030 2
721 72 72 LYS C C 176.815 0.300 1
722 72 72 LYS CA C 56.261 0.300 1
723 72 72 LYS CB C 33.593 0.300 1
724 72 72 LYS CD C 29.564 0.300 1
725 72 72 LYS CE C 41.988 0.300 1
726 72 72 LYS CG C 25.076 0.300 1
727 72 72 LYS N N 120.511 0.300 1
728 73 73 ARG H H 8.363 0.030 1
729 73 73 ARG HA H 4.532 0.030 1
730 73 73 ARG HB2 H 1.800 0.030 2
731 73 73 ARG HB3 H 1.848 0.030 2
732 73 73 ARG HD2 H 3.153 0.030 1
733 73 73 ARG HD3 H 3.153 0.030 1
734 73 73 ARG HG2 H 1.525 0.030 2
735 73 73 ARG HG3 H 1.742 0.030 2
736 73 73 ARG C C 177.856 0.300 1
737 73 73 ARG CA C 56.677 0.300 1
738 73 73 ARG CB C 31.680 0.300 1
739 73 73 ARG CD C 43.317 0.300 1
740 73 73 ARG CG C 27.307 0.300 1
741 73 73 ARG N N 125.650 0.300 1
742 74 74 GLY H H 8.422 0.030 1
743 74 74 GLY HA2 H 3.949 0.030 2
744 74 74 GLY HA3 H 3.644 0.030 2
745 74 74 GLY C C 173.381 0.300 1
746 74 74 GLY CA C 46.489 0.300 1
747 75 75 ALA H H 7.639 0.030 1
748 75 75 ALA HA H 4.566 0.030 1
749 75 75 ALA HB H 1.245 0.030 1
750 75 75 ALA C C 176.360 0.300 1
751 75 75 ALA CA C 51.263 0.300 1
752 75 75 ALA CB C 21.573 0.300 1
753 75 75 ALA N N 122.908 0.300 1
754 76 76 SER H H 8.527 0.030 1
755 76 76 SER HA H 4.895 0.030 1
756 76 76 SER HB2 H 3.734 0.030 1
757 76 76 SER HB3 H 3.734 0.030 1
758 76 76 SER C C 173.065 0.300 1
759 76 76 SER CA C 58.050 0.300 1
760 76 76 SER CB C 64.722 0.300 1
761 76 76 SER N N 115.983 0.300 1
762 77 77 TYR H H 8.943 0.030 1
763 77 77 TYR HA H 4.735 0.030 1
764 77 77 TYR HB2 H 2.450 0.030 1
765 77 77 TYR HB3 H 2.450 0.030 1
766 77 77 TYR HD1 H 6.835 0.030 1
767 77 77 TYR HD2 H 6.835 0.030 1
768 77 77 TYR HE1 H 6.850 0.030 1
769 77 77 TYR HE2 H 6.850 0.030 1
770 77 77 TYR C C 174.050 0.300 1
771 77 77 TYR CA C 57.799 0.300 1
772 77 77 TYR CB C 42.222 0.300 1
773 77 77 TYR CD1 C 131.933 0.300 1
774 77 77 TYR CD2 C 131.933 0.300 1
775 77 77 TYR CE1 C 118.728 0.300 1
776 77 77 TYR CE2 C 118.728 0.300 1
777 77 77 TYR N N 121.948 0.300 1
778 78 78 LEU H H 8.609 0.030 1
779 78 78 LEU HA H 4.914 0.030 1
780 78 78 LEU HB2 H 1.060 0.030 2
781 78 78 LEU HB3 H 0.915 0.030 2
782 78 78 LEU HD1 H 0.711 0.030 1
783 78 78 LEU HD2 H 0.632 0.030 1
784 78 78 LEU HG H 1.217 0.030 1
785 78 78 LEU C C 176.406 0.300 1
786 78 78 LEU CA C 53.412 0.300 1
787 78 78 LEU CB C 42.972 0.300 1
788 78 78 LEU CD1 C 25.091 0.300 2
789 78 78 LEU CD2 C 23.762 0.300 2
790 78 78 LEU CG C 27.708 0.300 1
791 78 78 LEU N N 122.989 0.300 1
792 79 79 VAL H H 8.697 0.030 1
793 79 79 VAL HA H 5.044 0.030 1
794 79 79 VAL HB H 1.864 0.030 1
795 79 79 VAL HG1 H 0.748 0.030 1
796 79 79 VAL HG2 H 0.757 0.030 1
797 79 79 VAL C C 174.877 0.300 1
798 79 79 VAL CA C 60.472 0.300 1
799 79 79 VAL CB C 35.410 0.300 1
800 79 79 VAL CG1 C 21.583 0.300 2
801 79 79 VAL CG2 C 20.564 0.300 2
802 79 79 VAL N N 121.754 0.300 1
803 80 80 GLN H H 9.066 0.030 1
804 80 80 GLN HA H 4.896 0.030 1
805 80 80 GLN HB2 H 1.519 0.030 2
806 80 80 GLN HB3 H 2.097 0.030 2
807 80 80 GLN HE21 H 7.770 0.030 2
808 80 80 GLN HE22 H 6.887 0.030 2
809 80 80 GLN HG2 H 2.273 0.030 2
810 80 80 GLN HG3 H 1.994 0.030 2
811 80 80 GLN C C 173.935 0.300 1
812 80 80 GLN CA C 54.483 0.300 1
813 80 80 GLN CB C 35.781 0.300 1
814 80 80 GLN CG C 35.829 0.300 1
815 80 80 GLN N N 122.741 0.300 1
816 80 80 GLN NE2 N 112.893 0.300 1
817 81 81 VAL H H 8.815 0.030 1
818 81 81 VAL HA H 5.246 0.030 1
819 81 81 VAL HB H 1.087 0.030 1
820 81 81 VAL HG1 H -0.193 0.030 1
821 81 81 VAL HG2 H 0.078 0.030 1
822 81 81 VAL C C 174.548 0.300 1
823 81 81 VAL CA C 60.948 0.300 1
824 81 81 VAL CB C 35.198 0.300 1
825 81 81 VAL CG1 C 20.762 0.300 2
826 81 81 VAL CG2 C 21.035 0.300 2
827 81 81 VAL N N 120.372 0.300 1
828 82 82 ARG H H 9.028 0.030 1
829 82 82 ARG HA H 5.035 0.030 1
830 82 82 ARG HB2 H 1.482 0.030 2
831 82 82 ARG HB3 H 0.583 0.030 2
832 82 82 ARG HD2 H 2.425 0.030 2
833 82 82 ARG HD3 H 0.899 0.030 2
834 82 82 ARG HE H 6.141 0.030 1
835 82 82 ARG HG2 H 1.126 0.030 2
836 82 82 ARG HG3 H 1.086 0.030 2
837 82 82 ARG C C 173.228 0.300 1
838 82 82 ARG CA C 53.427 0.300 1
839 82 82 ARG CB C 33.773 0.300 1
840 82 82 ARG CD C 43.644 0.300 1
841 82 82 ARG CG C 25.208 0.300 1
842 82 82 ARG N N 122.706 0.300 1
843 82 82 ARG NE N 83.726 0.300 1
844 83 83 ALA H H 9.562 0.030 1
845 83 83 ALA HA H 5.045 0.030 1
846 83 83 ALA HB H 1.321 0.030 1
847 83 83 ALA C C 174.341 0.300 1
848 83 83 ALA CA C 49.986 0.300 1
849 83 83 ALA CB C 23.456 0.300 1
850 83 83 ALA N N 124.486 0.300 1
851 84 84 ARG H H 8.667 0.030 1
852 84 84 ARG HA H 4.549 0.030 1
853 84 84 ARG HB2 H 1.709 0.030 2
854 84 84 ARG HB3 H 0.808 0.030 2
855 84 84 ARG HD2 H 2.864 0.030 2
856 84 84 ARG HD3 H 2.051 0.030 2
857 84 84 ARG HE H 8.843 0.030 1
858 84 84 ARG HG2 H 1.095 0.030 2
859 84 84 ARG HG3 H 0.222 0.030 2
860 84 84 ARG C C 174.989 0.300 1
861 84 84 ARG CA C 55.193 0.300 1
862 84 84 ARG CB C 34.435 0.300 1
863 84 84 ARG CD C 42.583 0.300 1
864 84 84 ARG CG C 28.441 0.300 1
865 84 84 ARG N N 122.072 0.300 1
866 84 84 ARG NE N 85.108 0.300 1
867 85 85 SER H H 8.476 0.030 1
868 85 85 SER HA H 5.063 0.030 1
869 85 85 SER HB2 H 4.328 0.030 2
870 85 85 SER HB3 H 3.486 0.030 2
871 85 85 SER C C 175.200 0.300 1
872 85 85 SER CA C 55.847 0.300 1
873 85 85 SER CB C 67.488 0.300 1
874 85 85 SER N N 122.839 0.300 1
875 86 86 GLU H H 9.634 0.030 1
876 86 86 GLU HA H 3.921 0.030 1
877 86 86 GLU HB2 H 2.039 0.030 1
878 86 86 GLU HB3 H 2.039 0.030 1
879 86 86 GLU HG2 H 2.315 0.030 1
880 86 86 GLU HG3 H 2.315 0.030 1
881 86 86 GLU C C 176.835 0.300 1
882 86 86 GLU CA C 59.560 0.300 1
883 86 86 GLU CB C 29.011 0.300 1
884 86 86 GLU CG C 36.254 0.300 1
885 86 86 GLU N N 121.692 0.300 1
886 87 87 ALA H H 7.808 0.030 1
887 87 87 ALA HA H 4.235 0.030 1
888 87 87 ALA HB H 1.203 0.030 1
889 87 87 ALA C C 177.119 0.300 1
890 87 87 ALA CA C 52.597 0.300 1
891 87 87 ALA CB C 19.505 0.300 1
892 87 87 ALA N N 118.874 0.300 1
893 88 88 GLY H H 7.388 0.030 1
894 88 88 GLY HA2 H 4.526 0.030 2
895 88 88 GLY HA3 H 3.609 0.030 2
896 88 88 GLY C C 173.151 0.300 1
897 88 88 GLY CA C 43.683 0.300 1
898 88 88 GLY N N 105.885 0.300 1
899 89 89 TYR H H 8.540 0.030 1
900 89 89 TYR HA H 4.966 0.030 1
901 89 89 TYR HB2 H 3.163 0.030 2
902 89 89 TYR HB3 H 2.633 0.030 2
903 89 89 TYR HD1 H 6.864 0.030 1
904 89 89 TYR HD2 H 6.864 0.030 1
905 89 89 TYR HE1 H 6.582 0.030 1
906 89 89 TYR HE2 H 6.582 0.030 1
907 89 89 TYR C C 179.382 0.300 1
908 89 89 TYR CA C 59.659 0.300 1
909 89 89 TYR CB C 40.850 0.300 1
910 89 89 TYR CD1 C 132.622 0.300 1
911 89 89 TYR CD2 C 132.622 0.300 1
912 89 89 TYR CE1 C 118.499 0.300 1
913 89 89 TYR CE2 C 118.499 0.300 1
914 89 89 TYR N N 117.227 0.300 1
915 90 90 GLY H H 8.930 0.030 1
916 90 90 GLY HA2 H 4.189 0.030 2
917 90 90 GLY HA3 H 4.410 0.030 2
918 90 90 GLY C C 171.909 0.300 1
919 90 90 GLY CA C 44.089 0.300 1
920 90 90 GLY N N 110.008 0.300 1
921 91 91 PRO HA H 4.494 0.030 1
922 91 91 PRO HB2 H 2.351 0.030 2
923 91 91 PRO HB3 H 1.985 0.030 2
924 91 91 PRO HD2 H 3.607 0.030 1
925 91 91 PRO HD3 H 3.607 0.030 1
926 91 91 PRO HG2 H 2.085 0.030 2
927 91 91 PRO HG3 H 1.892 0.030 2
928 91 91 PRO C C 179.001 0.300 1
929 91 91 PRO CA C 62.019 0.300 1
930 91 91 PRO CB C 32.195 0.300 1
931 91 91 PRO CD C 49.214 0.300 1
932 91 91 PRO CG C 26.862 0.300 1
933 92 92 PHE H H 8.602 0.030 1
934 92 92 PHE HA H 4.556 0.030 1
935 92 92 PHE HB2 H 3.122 0.030 2
936 92 92 PHE HB3 H 2.846 0.030 2
937 92 92 PHE HD1 H 7.154 0.030 1
938 92 92 PHE HD2 H 7.154 0.030 1
939 92 92 PHE HE1 H 7.307 0.030 1
940 92 92 PHE HE2 H 7.307 0.030 1
941 92 92 PHE HZ H 7.296 0.030 1
942 92 92 PHE C C 178.040 0.300 1
943 92 92 PHE CA C 59.948 0.300 1
944 92 92 PHE CB C 40.355 0.300 1
945 92 92 PHE CD1 C 131.836 0.300 1
946 92 92 PHE CD2 C 131.836 0.300 1
947 92 92 PHE CE1 C 131.689 0.300 1
948 92 92 PHE CE2 C 131.689 0.300 1
949 92 92 PHE CZ C 129.538 0.300 1
950 92 92 PHE N N 118.759 0.300 1
951 93 93 GLY H H 8.238 0.030 1
952 93 93 GLY HA2 H 4.392 0.030 2
953 93 93 GLY HA3 H 4.151 0.030 2
954 93 93 GLY C C 173.145 0.300 1
955 93 93 GLY CA C 44.458 0.300 1
956 93 93 GLY N N 108.462 0.300 1
957 94 94 GLN H H 8.398 0.030 1
958 94 94 GLN HA H 4.315 0.030 1
959 94 94 GLN HB2 H 2.115 0.030 1
960 94 94 GLN HB3 H 2.115 0.030 1
961 94 94 GLN HE21 H 7.598 0.030 2
962 94 94 GLN HE22 H 6.950 0.030 2
963 94 94 GLN HG2 H 2.459 0.030 1
964 94 94 GLN HG3 H 2.459 0.030 1
965 94 94 GLN C C 176.520 0.300 1
966 94 94 GLN CA C 55.787 0.300 1
967 94 94 GLN CB C 30.198 0.300 1
968 94 94 GLN CG C 33.700 0.300 1
969 94 94 GLN N N 118.843 0.300 1
970 94 94 GLN NE2 N 112.519 0.300 1
971 95 95 GLU H H 8.870 0.030 1
972 95 95 GLU HA H 4.355 0.030 1
973 95 95 GLU HB2 H 1.899 0.030 2
974 95 95 GLU HB3 H 1.832 0.030 2
975 95 95 GLU HG2 H 2.206 0.030 2
976 95 95 GLU HG3 H 2.034 0.030 2
977 95 95 GLU C C 175.855 0.300 1
978 95 95 GLU CA C 56.777 0.300 1
979 95 95 GLU CB C 30.853 0.300 1
980 95 95 GLU CG C 36.832 0.300 1
981 95 95 GLU N N 123.213 0.300 1
982 96 96 HIS H H 9.345 0.030 1
983 96 96 HIS HA H 4.794 0.030 1
984 96 96 HIS HB2 H 3.025 0.030 2
985 96 96 HIS HB3 H 2.934 0.030 2
986 96 96 HIS HD2 H 6.809 0.030 1
987 96 96 HIS HE1 H 7.872 0.030 1
988 96 96 HIS C C 174.594 0.300 1
989 96 96 HIS CA C 56.310 0.300 1
990 96 96 HIS CB C 32.433 0.300 1
991 96 96 HIS CD2 C 123.234 0.300 1
992 96 96 HIS CE1 C 138.680 0.300 1
993 96 96 HIS N N 125.362 0.300 1
994 97 97 HIS HA H 5.070 0.030 1
995 97 97 HIS HB2 H 3.024 0.030 2
996 97 97 HIS HB3 H 2.981 0.030 2
997 97 97 HIS HD2 H 6.863 0.030 1
998 97 97 HIS HE1 H 7.743 0.030 1
999 97 97 HIS CA C 55.537 0.300 1
1000 97 97 HIS CB C 31.410 0.300 1
1001 97 97 HIS CD2 C 120.229 0.300 1
1002 97 97 HIS CE1 C 137.780 0.300 1
1003 98 98 SER H H 8.801 0.030 1
1004 98 98 SER HA H 4.568 0.030 1
1005 98 98 SER HB2 H 3.777 0.030 2
1006 98 98 SER HB3 H 3.694 0.030 2
1007 98 98 SER C C 173.228 0.300 1
1008 98 98 SER CA C 58.121 0.300 1
1009 98 98 SER CB C 65.594 0.300 1
1010 98 98 SER N N 119.679 0.300 1
1011 99 99 GLN H H 8.569 0.030 1
1012 99 99 GLN HA H 5.187 0.030 1
1013 99 99 GLN HB2 H 2.105 0.030 2
1014 99 99 GLN HB3 H 1.948 0.030 2
1015 99 99 GLN HE21 H 7.439 0.030 2
1016 99 99 GLN HE22 H 6.807 0.030 2
1017 99 99 GLN HG2 H 2.460 0.030 2
1018 99 99 GLN HG3 H 2.258 0.030 2
1019 99 99 GLN C C 176.486 0.300 1
1020 99 99 GLN CA C 55.045 0.300 1
1021 99 99 GLN CB C 31.479 0.300 1
1022 99 99 GLN CG C 33.700 0.300 1
1023 99 99 GLN N N 122.123 0.300 1
1024 99 99 GLN NE2 N 111.885 0.300 1
1025 100 100 THR H H 8.472 0.030 1
1026 100 100 THR HA H 4.335 0.030 1
1027 100 100 THR HB H 4.649 0.030 1
1028 100 100 THR HG2 H 1.166 0.030 1
1029 100 100 THR C C 174.696 0.300 1
1030 100 100 THR CA C 61.491 0.300 1
1031 100 100 THR CB C 69.537 0.300 1
1032 100 100 THR CG2 C 23.307 0.300 1
1033 100 100 THR N N 114.686 0.300 1
1034 101 101 GLN HA H 4.249 0.030 1
1035 101 101 GLN HB2 H 2.075 0.030 2
1036 101 101 GLN HB3 H 1.658 0.030 2
1037 101 101 GLN HE21 H 7.502 0.030 2
1038 101 101 GLN HE22 H 6.811 0.030 2
1039 101 101 GLN HG2 H 2.337 0.030 1
1040 101 101 GLN HG3 H 2.337 0.030 1
1041 101 101 GLN C C 175.607 0.300 1
1042 101 101 GLN CA C 55.847 0.300 1
1043 101 101 GLN CB C 30.035 0.300 1
1044 101 101 GLN CG C 33.698 0.300 1
1045 101 101 GLN NE2 N 112.203 0.300 1
1046 102 102 LEU H H 8.321 0.030 1
1047 102 102 LEU HA H 4.297 0.030 1
1048 102 102 LEU HB2 H 1.626 0.030 1
1049 102 102 LEU HB3 H 1.626 0.030 1
1050 102 102 LEU HD1 H 0.928 0.030 1
1051 102 102 LEU HD2 H 0.882 0.030 1
1052 102 102 LEU HG H 1.634 0.030 1
1053 102 102 LEU C C 177.067 0.300 1
1054 102 102 LEU CA C 55.577 0.300 1
1055 102 102 LEU CB C 42.851 0.300 1
1056 102 102 LEU CD1 C 24.757 0.300 2
1057 102 102 LEU CD2 C 23.935 0.300 2
1058 102 102 LEU CG C 27.162 0.300 1
1059 102 102 LEU N N 122.170 0.300 1
1060 103 103 ASP H H 8.241 0.030 1
1061 103 103 ASP HA H 4.665 0.030 1
1062 103 103 ASP HB2 H 2.730 0.030 2
1063 103 103 ASP HB3 H 2.645 0.030 2
1064 103 103 ASP C C 175.881 0.300 1
1065 103 103 ASP CA C 54.070 0.300 1
1066 103 103 ASP CB C 41.821 0.300 1
1067 103 103 ASP N N 119.859 0.300 1
1068 104 104 SER H H 8.338 0.030 1
1069 104 104 SER HA H 4.478 0.030 1
1070 104 104 SER HB2 H 3.915 0.030 2
1071 104 104 SER HB3 H 3.879 0.030 2
1072 104 104 SER C C 174.685 0.300 1
1073 104 104 SER CA C 58.319 0.300 1
1074 104 104 SER CB C 64.072 0.300 1
1075 104 104 SER N N 115.764 0.300 1
1076 105 105 GLY H H 8.322 0.030 1
1077 105 105 GLY HA2 H 4.138 0.030 1
1078 105 105 GLY HA3 H 4.138 0.030 1
1079 105 105 GLY C C 171.909 0.300 1
1080 105 105 GLY CA C 44.677 0.300 1
1081 105 105 GLY N N 110.796 0.300 1
1082 106 106 PRO HA H 4.492 0.030 1
1083 106 106 PRO HB2 H 2.307 0.030 2
1084 106 106 PRO HB3 H 2.003 0.030 2
1085 106 106 PRO HD2 H 3.643 0.030 1
1086 106 106 PRO HD3 H 3.643 0.030 1
1087 106 106 PRO HG2 H 2.055 0.030 2
1088 106 106 PRO HG3 H 1.988 0.030 2
1089 106 106 PRO C C 177.421 0.300 1
1090 106 106 PRO CA C 63.216 0.300 1
1091 106 106 PRO CB C 32.185 0.300 1
1092 106 106 PRO CD C 49.809 0.300 1
1093 106 106 PRO CG C 27.304 0.300 1
stop_
save_