data_10091
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C-terminal ubiquitin-like domain of mouse
tubulin-specific chaperone e
;
_BMRB_accession_number 10091
_BMRB_flat_file_name bmr10091.str
_Entry_type original
_Submission_date 2007-01-24
_Accession_date 2007-01-25
_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 Sato M. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 577
"13C chemical shifts" 422
"15N chemical shifts" 96
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the C-terminal ubiquitin-like domain of mouse
tubulin-specific chaperone e
;
_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 Sato M. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Tubulin-folding protein TBCE'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Tubulin-folding protein TBCE' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'ubiquitin like-domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 97
_Mol_residue_sequence
;
GSSGSSGQLLTLKIKCSNQP
ERQILEKQLPDSMTVQKVKG
LLSRLLKVPVSELLLSYESS
KMPGREIELENDLQPLQFYS
VENGDCLLVRWSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLN 9 LEU 10 LEU
11 THR 12 LEU 13 LYS 14 ILE 15 LYS
16 CYS 17 SER 18 ASN 19 GLN 20 PRO
21 GLU 22 ARG 23 GLN 24 ILE 25 LEU
26 GLU 27 LYS 28 GLN 29 LEU 30 PRO
31 ASP 32 SER 33 MET 34 THR 35 VAL
36 GLN 37 LYS 38 VAL 39 LYS 40 GLY
41 LEU 42 LEU 43 SER 44 ARG 45 LEU
46 LEU 47 LYS 48 VAL 49 PRO 50 VAL
51 SER 52 GLU 53 LEU 54 LEU 55 LEU
56 SER 57 TYR 58 GLU 59 SER 60 SER
61 LYS 62 MET 63 PRO 64 GLY 65 ARG
66 GLU 67 ILE 68 GLU 69 LEU 70 GLU
71 ASN 72 ASP 73 LEU 74 GLN 75 PRO
76 LEU 77 GLN 78 PHE 79 TYR 80 SER
81 VAL 82 GLU 83 ASN 84 GLY 85 ASP
86 CYS 87 LEU 88 LEU 89 VAL 90 ARG
91 TRP 92 SER 93 GLY 94 PRO 95 SER
96 SER 97 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1WJN "Solution Structure Of The C-Terminal Ubiquitin-Like Domain Of Mouse Tubulin-Specific Chaperone E" 100.00 97 100.00 100.00 8.98e-60
DBJ BAE39475 "unnamed protein product [Mus musculus]" 86.60 524 100.00 100.00 5.84e-47
GB AAH50206 "Tubulin-specific chaperone E [Mus musculus]" 86.60 524 100.00 100.00 5.84e-47
GB AAL92570 "tubulin-folding protein TBCE [Mus musculus]" 86.60 524 100.00 100.00 5.84e-47
GB EDL32750 "tubulin-specific chaperone e, isoform CRA_a [Mus musculus]" 86.60 524 100.00 100.00 5.84e-47
GB EDL32752 "tubulin-specific chaperone e, isoform CRA_c [Mus musculus]" 86.60 396 100.00 100.00 8.28e-48
GB EDL32753 "tubulin-specific chaperone e, isoform CRA_d [Mus musculus]" 86.60 88 100.00 100.00 8.53e-51
REF NP_848027 "tubulin-specific chaperone E [Mus musculus]" 86.60 524 100.00 100.00 5.84e-47
REF XP_006516836 "PREDICTED: tubulin-specific chaperone E isoform X1 [Mus musculus]" 86.60 462 100.00 100.00 2.47e-47
REF XP_006516838 "PREDICTED: tubulin-specific chaperone E isoform X4 [Mus musculus]" 86.60 270 100.00 100.00 4.37e-49
SP Q8CIV8 "RecName: Full=Tubulin-specific chaperone E; AltName: Full=Tubulin-folding cofactor E" 86.60 524 100.00 100.00 5.84e-47
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 mouse 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P040301-91
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.1 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM .
NaCl 200 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.8994
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_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 700
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 220 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-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 'Tubulin-folding protein TBCE'
_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 4.545 0.030 1
2 6 6 SER HB2 H 3.916 0.030 1
3 6 6 SER HB3 H 3.916 0.030 1
4 6 6 SER C C 174.854 0.300 1
5 6 6 SER CA C 58.653 0.300 1
6 6 6 SER CB C 64.049 0.300 1
7 7 7 GLY H H 8.509 0.030 1
8 7 7 GLY HA2 H 4.102 0.030 2
9 7 7 GLY HA3 H 4.038 0.030 2
10 7 7 GLY C C 173.457 0.300 1
11 7 7 GLY CA C 45.318 0.300 1
12 7 7 GLY N N 111.204 0.300 1
13 8 8 GLN H H 8.320 0.030 1
14 8 8 GLN HA H 4.436 0.030 1
15 8 8 GLN HB2 H 1.992 0.030 2
16 8 8 GLN HB3 H 1.908 0.030 2
17 8 8 GLN HG2 H 2.271 0.030 1
18 8 8 GLN HG3 H 2.271 0.030 1
19 8 8 GLN HE21 H 7.646 0.030 2
20 8 8 GLN HE22 H 6.932 0.030 2
21 8 8 GLN C C 174.708 0.300 1
22 8 8 GLN CA C 54.806 0.300 1
23 8 8 GLN CB C 30.963 0.300 1
24 8 8 GLN CG C 33.812 0.300 1
25 8 8 GLN N N 120.211 0.300 1
26 8 8 GLN NE2 N 112.956 0.300 1
27 9 9 LEU H H 8.477 0.030 1
28 9 9 LEU HA H 4.317 0.030 1
29 9 9 LEU HB2 H 1.556 0.030 2
30 9 9 LEU HB3 H 1.284 0.030 2
31 9 9 LEU HG H 1.437 0.030 1
32 9 9 LEU HD1 H 0.733 0.030 1
33 9 9 LEU HD2 H 0.694 0.030 1
34 9 9 LEU C C 176.213 0.300 1
35 9 9 LEU CA C 54.584 0.300 1
36 9 9 LEU CB C 42.538 0.300 1
37 9 9 LEU CG C 26.729 0.300 1
38 9 9 LEU CD1 C 24.163 0.300 2
39 9 9 LEU CD2 C 23.843 0.300 2
40 9 9 LEU N N 123.557 0.300 1
41 10 10 LEU H H 8.948 0.030 1
42 10 10 LEU HA H 4.692 0.030 1
43 10 10 LEU HB2 H 1.979 0.030 2
44 10 10 LEU HB3 H 0.976 0.030 2
45 10 10 LEU HG H 1.683 0.030 1
46 10 10 LEU HD1 H 0.645 0.030 1
47 10 10 LEU HD2 H 0.718 0.030 1
48 10 10 LEU C C 176.432 0.300 1
49 10 10 LEU CA C 53.321 0.300 1
50 10 10 LEU CB C 43.721 0.300 1
51 10 10 LEU CG C 26.462 0.300 1
52 10 10 LEU CD1 C 26.203 0.300 2
53 10 10 LEU CD2 C 22.607 0.300 2
54 10 10 LEU N N 126.642 0.300 1
55 11 11 THR H H 9.065 0.030 1
56 11 11 THR HA H 4.573 0.030 1
57 11 11 THR HB H 4.146 0.030 1
58 11 11 THR HG2 H 1.050 0.030 1
59 11 11 THR C C 173.873 0.300 1
60 11 11 THR CA C 63.319 0.300 1
61 11 11 THR CB C 68.313 0.300 1
62 11 11 THR CG2 C 21.618 0.300 1
63 11 11 THR N N 120.252 0.300 1
64 12 12 LEU H H 8.882 0.030 1
65 12 12 LEU HA H 5.079 0.030 1
66 12 12 LEU HB2 H 1.496 0.030 2
67 12 12 LEU HB3 H 1.366 0.030 2
68 12 12 LEU HG H 1.462 0.030 1
69 12 12 LEU HD1 H 0.711 0.030 1
70 12 12 LEU HD2 H 0.773 0.030 1
71 12 12 LEU C C 176.079 0.300 1
72 12 12 LEU CA C 52.807 0.300 1
73 12 12 LEU CB C 44.770 0.300 1
74 12 12 LEU CG C 26.547 0.300 1
75 12 12 LEU CD1 C 26.150 0.300 2
76 12 12 LEU CD2 C 24.584 0.300 2
77 12 12 LEU N N 128.711 0.300 1
78 13 13 LYS H H 8.136 0.030 1
79 13 13 LYS HA H 4.998 0.030 1
80 13 13 LYS HB2 H 1.751 0.030 1
81 13 13 LYS HB3 H 1.751 0.030 1
82 13 13 LYS HG2 H 1.549 0.030 2
83 13 13 LYS HG3 H 1.439 0.030 2
84 13 13 LYS HD2 H 1.640 0.030 2
85 13 13 LYS HD3 H 1.620 0.030 2
86 13 13 LYS HE2 H 2.958 0.030 1
87 13 13 LYS HE3 H 2.958 0.030 1
88 13 13 LYS C C 175.812 0.300 1
89 13 13 LYS CA C 55.060 0.300 1
90 13 13 LYS CB C 34.508 0.300 1
91 13 13 LYS CG C 25.841 0.300 1
92 13 13 LYS CD C 29.231 0.300 1
93 13 13 LYS CE C 42.332 0.300 1
94 13 13 LYS N N 120.057 0.300 1
95 14 14 ILE H H 8.973 0.030 1
96 14 14 ILE HA H 4.859 0.030 1
97 14 14 ILE HB H 1.767 0.030 1
98 14 14 ILE HG12 H 1.438 0.030 2
99 14 14 ILE HG13 H 1.034 0.030 2
100 14 14 ILE HG2 H 0.742 0.030 1
101 14 14 ILE HD1 H 0.656 0.030 1
102 14 14 ILE C C 174.474 0.300 1
103 14 14 ILE CA C 60.614 0.300 1
104 14 14 ILE CB C 39.873 0.300 1
105 14 14 ILE CG1 C 27.631 0.300 1
106 14 14 ILE CG2 C 18.038 0.300 1
107 14 14 ILE CD1 C 13.540 0.300 1
108 14 14 ILE N N 121.509 0.300 1
109 15 15 LYS H H 9.093 0.030 1
110 15 15 LYS HA H 4.780 0.030 1
111 15 15 LYS HB2 H 1.751 0.030 2
112 15 15 LYS HB3 H 1.415 0.030 2
113 15 15 LYS HG2 H 1.299 0.030 2
114 15 15 LYS HG3 H 1.044 0.030 2
115 15 15 LYS HD2 H 1.560 0.030 1
116 15 15 LYS HD3 H 1.560 0.030 1
117 15 15 LYS HE2 H 2.855 0.030 1
118 15 15 LYS HE3 H 2.855 0.030 1
119 15 15 LYS C C 174.671 0.300 1
120 15 15 LYS CA C 54.593 0.300 1
121 15 15 LYS CB C 36.985 0.300 1
122 15 15 LYS CG C 25.193 0.300 1
123 15 15 LYS CD C 29.774 0.300 1
124 15 15 LYS CE C 42.216 0.300 1
125 15 15 LYS N N 128.784 0.300 1
126 16 16 CYS H H 9.064 0.030 1
127 16 16 CYS HA H 5.083 0.030 1
128 16 16 CYS HB2 H 3.044 0.030 2
129 16 16 CYS HB3 H 2.856 0.030 2
130 16 16 CYS C C 176.103 0.300 1
131 16 16 CYS CA C 57.551 0.300 1
132 16 16 CYS CB C 26.993 0.300 1
133 16 16 CYS N N 124.845 0.300 1
134 17 17 SER H H 8.036 0.030 1
135 17 17 SER HA H 3.900 0.030 1
136 17 17 SER HB2 H 3.726 0.030 2
137 17 17 SER HB3 H 3.498 0.030 2
138 17 17 SER C C 174.606 0.300 1
139 17 17 SER CA C 61.766 0.300 1
140 17 17 SER CB C 63.432 0.300 1
141 17 17 SER N N 121.762 0.300 1
142 18 18 ASN H H 8.685 0.030 1
143 18 18 ASN HA H 4.639 0.030 1
144 18 18 ASN HB2 H 2.780 0.030 2
145 18 18 ASN HB3 H 2.368 0.030 2
146 18 18 ASN HD21 H 7.278 0.030 2
147 18 18 ASN HD22 H 6.593 0.030 2
148 18 18 ASN C C 174.401 0.300 1
149 18 18 ASN CA C 53.398 0.300 1
150 18 18 ASN CB C 38.269 0.300 1
151 18 18 ASN N N 116.274 0.300 1
152 18 18 ASN ND2 N 111.188 0.300 1
153 19 19 GLN H H 7.287 0.030 1
154 19 19 GLN HA H 4.893 0.030 1
155 19 19 GLN HB2 H 2.074 0.030 2
156 19 19 GLN HB3 H 1.849 0.030 2
157 19 19 GLN HG2 H 2.247 0.030 2
158 19 19 GLN HG3 H 2.135 0.030 2
159 19 19 GLN HE21 H 7.438 0.030 2
160 19 19 GLN HE22 H 6.689 0.030 2
161 19 19 GLN C C 173.567 0.300 1
162 19 19 GLN CA C 53.344 0.300 1
163 19 19 GLN CB C 29.576 0.300 1
164 19 19 GLN CG C 33.357 0.300 1
165 19 19 GLN N N 117.366 0.300 1
166 19 19 GLN NE2 N 111.283 0.300 1
167 20 20 PRO HA H 4.384 0.030 1
168 20 20 PRO HB2 H 2.305 0.030 2
169 20 20 PRO HB3 H 1.991 0.030 2
170 20 20 PRO HG2 H 1.997 0.030 1
171 20 20 PRO HG3 H 1.997 0.030 1
172 20 20 PRO HD2 H 3.749 0.030 2
173 20 20 PRO HD3 H 3.392 0.030 2
174 20 20 PRO C C 177.208 0.300 1
175 20 20 PRO CA C 64.575 0.300 1
176 20 20 PRO CB C 32.000 0.300 1
177 20 20 PRO CG C 27.303 0.300 1
178 20 20 PRO CD C 50.503 0.300 1
179 21 21 GLU H H 9.234 0.030 1
180 21 21 GLU HA H 4.277 0.030 1
181 21 21 GLU HB2 H 2.111 0.030 2
182 21 21 GLU HB3 H 1.997 0.030 2
183 21 21 GLU HG2 H 2.340 0.030 2
184 21 21 GLU HG3 H 2.193 0.030 2
185 21 21 GLU C C 176.989 0.300 1
186 21 21 GLU CA C 57.022 0.300 1
187 21 21 GLU CB C 28.704 0.300 1
188 21 21 GLU CG C 36.201 0.300 1
189 21 21 GLU N N 117.866 0.300 1
190 22 22 ARG H H 7.874 0.030 1
191 22 22 ARG HA H 4.335 0.030 1
192 22 22 ARG HB2 H 2.012 0.030 2
193 22 22 ARG HB3 H 1.940 0.030 2
194 22 22 ARG HG2 H 1.783 0.030 1
195 22 22 ARG HG3 H 1.783 0.030 1
196 22 22 ARG HD2 H 3.354 0.030 2
197 22 22 ARG HD3 H 3.311 0.030 2
198 22 22 ARG C C 176.164 0.300 1
199 22 22 ARG CA C 56.037 0.300 1
200 22 22 ARG CB C 30.682 0.300 1
201 22 22 ARG CG C 27.984 0.300 1
202 22 22 ARG CD C 43.956 0.300 1
203 22 22 ARG N N 121.991 0.300 1
204 23 23 GLN H H 8.577 0.030 1
205 23 23 GLN HA H 4.249 0.030 1
206 23 23 GLN HB2 H 2.044 0.030 1
207 23 23 GLN HB3 H 2.044 0.030 1
208 23 23 GLN HG2 H 2.438 0.030 1
209 23 23 GLN HG3 H 2.438 0.030 1
210 23 23 GLN HE21 H 7.584 0.030 2
211 23 23 GLN HE22 H 6.927 0.030 2
212 23 23 GLN C C 176.164 0.300 1
213 23 23 GLN CA C 56.083 0.300 1
214 23 23 GLN CB C 29.459 0.300 1
215 23 23 GLN CG C 33.826 0.300 1
216 23 23 GLN N N 124.171 0.300 1
217 23 23 GLN NE2 N 112.826 0.300 1
218 24 24 ILE H H 8.623 0.030 1
219 24 24 ILE HA H 4.263 0.030 1
220 24 24 ILE HB H 1.815 0.030 1
221 24 24 ILE HG12 H 1.686 0.030 2
222 24 24 ILE HG13 H 1.137 0.030 2
223 24 24 ILE HG2 H 0.910 0.030 1
224 24 24 ILE HD1 H 0.891 0.030 1
225 24 24 ILE C C 176.071 0.300 1
226 24 24 ILE CA C 61.740 0.300 1
227 24 24 ILE CB C 38.504 0.300 1
228 24 24 ILE CG1 C 28.374 0.300 1
229 24 24 ILE CG2 C 17.733 0.300 1
230 24 24 ILE CD1 C 13.173 0.300 1
231 24 24 ILE N N 125.483 0.300 1
232 25 25 LEU H H 8.231 0.030 1
233 25 25 LEU HA H 4.690 0.030 1
234 25 25 LEU HB2 H 1.647 0.030 2
235 25 25 LEU HB3 H 1.537 0.030 2
236 25 25 LEU HG H 1.715 0.030 1
237 25 25 LEU HD1 H 0.866 0.030 1
238 25 25 LEU HD2 H 0.871 0.030 1
239 25 25 LEU C C 175.436 0.300 1
240 25 25 LEU CA C 53.964 0.300 1
241 25 25 LEU CB C 44.770 0.300 1
242 25 25 LEU CG C 27.056 0.300 1
243 25 25 LEU CD1 C 23.618 0.300 2
244 25 25 LEU CD2 C 25.303 0.300 2
245 25 25 LEU N N 128.088 0.300 1
246 26 26 GLU H H 8.426 0.030 1
247 26 26 GLU HA H 5.195 0.030 1
248 26 26 GLU HB2 H 1.855 0.030 1
249 26 26 GLU HB3 H 1.855 0.030 1
250 26 26 GLU HG2 H 2.076 0.030 2
251 26 26 GLU HG3 H 1.966 0.030 2
252 26 26 GLU C C 175.922 0.300 1
253 26 26 GLU CA C 55.674 0.300 1
254 26 26 GLU CB C 32.411 0.300 1
255 26 26 GLU CG C 37.533 0.300 1
256 26 26 GLU N N 121.017 0.300 1
257 27 27 LYS H H 8.752 0.030 1
258 27 27 LYS HA H 4.713 0.030 1
259 27 27 LYS HB2 H 1.661 0.030 2
260 27 27 LYS HB3 H 1.414 0.030 2
261 27 27 LYS HG2 H 1.261 0.030 1
262 27 27 LYS HG3 H 1.261 0.030 1
263 27 27 LYS HD2 H 1.784 0.030 1
264 27 27 LYS HD3 H 1.784 0.030 1
265 27 27 LYS HE2 H 2.923 0.030 2
266 27 27 LYS HE3 H 2.832 0.030 2
267 27 27 LYS C C 174.052 0.300 1
268 27 27 LYS CA C 53.435 0.300 1
269 27 27 LYS CB C 37.004 0.300 1
270 27 27 LYS CG C 24.725 0.300 1
271 27 27 LYS CD C 28.292 0.300 1
272 27 27 LYS CE C 41.999 0.300 1
273 27 27 LYS N N 123.155 0.300 1
274 28 28 GLN H H 8.349 0.030 1
275 28 28 GLN HA H 5.543 0.030 1
276 28 28 GLN HB2 H 1.990 0.030 2
277 28 28 GLN HB3 H 1.685 0.030 2
278 28 28 GLN HG2 H 2.270 0.030 2
279 28 28 GLN HG3 H 2.194 0.030 2
280 28 28 GLN HE21 H 7.363 0.030 2
281 28 28 GLN HE22 H 6.874 0.030 2
282 28 28 GLN C C 175.679 0.300 1
283 28 28 GLN CA C 54.423 0.300 1
284 28 28 GLN CB C 30.059 0.300 1
285 28 28 GLN CG C 34.766 0.300 1
286 28 28 GLN N N 120.978 0.300 1
287 28 28 GLN NE2 N 112.890 0.300 1
288 29 29 LEU H H 9.139 0.030 1
289 29 29 LEU HA H 4.986 0.030 1
290 29 29 LEU HB2 H 1.486 0.030 2
291 29 29 LEU HB3 H 1.383 0.030 2
292 29 29 LEU HG H 1.470 0.030 1
293 29 29 LEU HD1 H 0.869 0.030 1
294 29 29 LEU HD2 H 0.754 0.030 1
295 29 29 LEU C C 173.542 0.300 1
296 29 29 LEU CA C 51.502 0.300 1
297 29 29 LEU CB C 43.867 0.300 1
298 29 29 LEU CG C 26.933 0.300 1
299 29 29 LEU CD1 C 24.347 0.300 2
300 29 29 LEU CD2 C 25.765 0.300 2
301 29 29 LEU N N 125.330 0.300 1
302 30 30 PRO HA H 4.825 0.030 1
303 30 30 PRO HB2 H 2.334 0.030 2
304 30 30 PRO HB3 H 2.018 0.030 2
305 30 30 PRO HG2 H 2.184 0.030 2
306 30 30 PRO HG3 H 2.025 0.030 2
307 30 30 PRO HD2 H 3.838 0.030 2
308 30 30 PRO HD3 H 3.736 0.030 2
309 30 30 PRO C C 177.742 0.300 1
310 30 30 PRO CA C 62.390 0.300 1
311 30 30 PRO CB C 32.077 0.300 1
312 30 30 PRO CG C 27.574 0.300 1
313 30 30 PRO CD C 50.411 0.300 1
314 31 31 ASP H H 9.012 0.030 1
315 31 31 ASP HA H 4.148 0.030 1
316 31 31 ASP HB2 H 2.848 0.030 2
317 31 31 ASP HB3 H 2.613 0.030 2
318 31 31 ASP C C 175.169 0.300 1
319 31 31 ASP CA C 55.480 0.300 1
320 31 31 ASP CB C 39.332 0.300 1
321 31 31 ASP N N 121.960 0.300 1
322 32 32 SER H H 7.438 0.030 1
323 32 32 SER HA H 4.376 0.030 1
324 32 32 SER HB2 H 4.104 0.030 2
325 32 32 SER HB3 H 3.840 0.030 2
326 32 32 SER C C 175.315 0.300 1
327 32 32 SER CA C 57.184 0.300 1
328 32 32 SER CB C 63.638 0.300 1
329 32 32 SER N N 110.163 0.300 1
330 33 33 MET H H 7.908 0.030 1
331 33 33 MET HA H 4.250 0.030 1
332 33 33 MET HB2 H 2.058 0.030 2
333 33 33 MET HB3 H 1.996 0.030 2
334 33 33 MET HG2 H 2.822 0.030 2
335 33 33 MET HG3 H 2.575 0.030 2
336 33 33 MET HE H 2.053 0.030 1
337 33 33 MET C C 175.803 0.300 1
338 33 33 MET CA C 57.313 0.300 1
339 33 33 MET CB C 34.547 0.300 1
340 33 33 MET CG C 33.531 0.300 1
341 33 33 MET CE C 17.440 0.300 1
342 33 33 MET N N 125.419 0.300 1
343 34 34 THR H H 7.784 0.030 1
344 34 34 THR HA H 4.620 0.030 1
345 34 34 THR HB H 4.632 0.030 1
346 34 34 THR HG2 H 1.234 0.030 1
347 34 34 THR C C 176.189 0.300 1
348 34 34 THR CA C 60.689 0.300 1
349 34 34 THR CB C 70.514 0.300 1
350 34 34 THR CG2 C 22.644 0.300 1
351 34 34 THR N N 114.328 0.300 1
352 35 35 VAL H H 8.368 0.030 1
353 35 35 VAL HA H 3.340 0.030 1
354 35 35 VAL HB H 2.527 0.030 1
355 35 35 VAL HG1 H 0.942 0.030 1
356 35 35 VAL HG2 H 1.124 0.030 1
357 35 35 VAL C C 178.107 0.300 1
358 35 35 VAL CA C 67.960 0.300 1
359 35 35 VAL CB C 31.849 0.300 1
360 35 35 VAL CG1 C 21.460 0.300 2
361 35 35 VAL CG2 C 25.079 0.300 2
362 35 35 VAL N N 122.994 0.300 1
363 36 36 GLN H H 9.530 0.030 1
364 36 36 GLN HA H 3.825 0.030 1
365 36 36 GLN HB2 H 2.146 0.030 2
366 36 36 GLN HB3 H 2.003 0.030 2
367 36 36 GLN HG2 H 2.349 0.030 2
368 36 36 GLN HG3 H 2.204 0.030 2
369 36 36 GLN HE21 H 7.627 0.030 2
370 36 36 GLN HE22 H 6.823 0.030 2
371 36 36 GLN C C 178.519 0.300 1
372 36 36 GLN CA C 59.887 0.300 1
373 36 36 GLN CB C 29.543 0.300 1
374 36 36 GLN CG C 33.778 0.300 1
375 36 36 GLN N N 118.851 0.300 1
376 36 36 GLN NE2 N 111.808 0.300 1
377 37 37 LYS H H 7.675 0.030 1
378 37 37 LYS HA H 4.163 0.030 1
379 37 37 LYS HB2 H 2.087 0.030 2
380 37 37 LYS HB3 H 1.887 0.030 2
381 37 37 LYS HG2 H 1.632 0.030 2
382 37 37 LYS HG3 H 1.486 0.030 2
383 37 37 LYS HD2 H 1.770 0.030 1
384 37 37 LYS HD3 H 1.770 0.030 1
385 37 37 LYS HE2 H 3.035 0.030 1
386 37 37 LYS HE3 H 3.035 0.030 1
387 37 37 LYS C C 180.122 0.300 1
388 37 37 LYS CA C 59.005 0.300 1
389 37 37 LYS CB C 32.164 0.300 1
390 37 37 LYS CG C 26.232 0.300 1
391 37 37 LYS CD C 29.014 0.300 1
392 37 37 LYS CE C 42.463 0.300 1
393 37 37 LYS N N 120.614 0.300 1
394 38 38 VAL H H 8.667 0.030 1
395 38 38 VAL HA H 3.559 0.030 1
396 38 38 VAL HB H 2.233 0.030 1
397 38 38 VAL HG1 H 0.795 0.030 1
398 38 38 VAL HG2 H 1.010 0.030 1
399 38 38 VAL C C 178.325 0.300 1
400 38 38 VAL CA C 67.202 0.300 1
401 38 38 VAL CB C 31.178 0.300 1
402 38 38 VAL CG1 C 22.331 0.300 2
403 38 38 VAL CG2 C 23.007 0.300 2
404 38 38 VAL N N 123.698 0.300 1
405 39 39 LYS H H 8.854 0.030 1
406 39 39 LYS HA H 3.726 0.030 1
407 39 39 LYS HB2 H 2.145 0.030 2
408 39 39 LYS HB3 H 1.778 0.030 2
409 39 39 LYS HG2 H 1.785 0.030 2
410 39 39 LYS HG3 H 1.029 0.030 2
411 39 39 LYS HD2 H 1.797 0.030 2
412 39 39 LYS HD3 H 1.693 0.030 2
413 39 39 LYS HE2 H 2.882 0.030 2
414 39 39 LYS HE3 H 2.735 0.030 2
415 39 39 LYS C C 178.495 0.300 1
416 39 39 LYS CA C 61.266 0.300 1
417 39 39 LYS CB C 33.072 0.300 1
418 39 39 LYS CG C 28.279 0.300 1
419 39 39 LYS CD C 30.465 0.300 1
420 39 39 LYS CE C 42.526 0.300 1
421 39 39 LYS N N 118.818 0.300 1
422 40 40 GLY H H 8.081 0.030 1
423 40 40 GLY HA2 H 3.950 0.030 2
424 40 40 GLY HA3 H 3.647 0.030 2
425 40 40 GLY C C 175.970 0.300 1
426 40 40 GLY CA C 47.689 0.300 1
427 40 40 GLY N N 106.085 0.300 1
428 41 41 LEU H H 7.835 0.030 1
429 41 41 LEU HA H 4.129 0.030 1
430 41 41 LEU HB2 H 1.875 0.030 2
431 41 41 LEU HB3 H 1.779 0.030 2
432 41 41 LEU HG H 1.682 0.030 1
433 41 41 LEU HD1 H 0.925 0.030 1
434 41 41 LEU HD2 H 0.837 0.030 1
435 41 41 LEU C C 179.806 0.300 1
436 41 41 LEU CA C 58.437 0.300 1
437 41 41 LEU CB C 42.134 0.300 1
438 41 41 LEU CG C 27.056 0.300 1
439 41 41 LEU CD1 C 25.079 0.300 2
440 41 41 LEU CD2 C 25.231 0.300 2
441 41 41 LEU N N 124.127 0.300 1
442 42 42 LEU H H 8.577 0.030 1
443 42 42 LEU HA H 3.932 0.030 1
444 42 42 LEU HB2 H 1.907 0.030 2
445 42 42 LEU HB3 H 1.227 0.030 2
446 42 42 LEU HG H 1.935 0.030 1
447 42 42 LEU HD1 H 0.803 0.030 1
448 42 42 LEU HD2 H 0.754 0.030 1
449 42 42 LEU C C 178.190 0.300 1
450 42 42 LEU CA C 57.528 0.300 1
451 42 42 LEU CB C 41.463 0.300 1
452 42 42 LEU CG C 26.777 0.300 1
453 42 42 LEU CD1 C 27.334 0.300 2
454 42 42 LEU CD2 C 22.507 0.300 2
455 42 42 LEU N N 119.227 0.300 1
456 43 43 SER H H 8.821 0.030 1
457 43 43 SER HA H 4.229 0.030 1
458 43 43 SER HB2 H 3.986 0.030 1
459 43 43 SER HB3 H 3.986 0.030 1
460 43 43 SER C C 178.179 0.300 1
461 43 43 SER CA C 60.892 0.300 1
462 43 43 SER CB C 63.756 0.300 1
463 43 43 SER N N 115.118 0.300 1
464 44 44 ARG H H 7.285 0.030 1
465 44 44 ARG HA H 4.104 0.030 1
466 44 44 ARG HB2 H 1.948 0.030 1
467 44 44 ARG HB3 H 1.948 0.030 1
468 44 44 ARG HG2 H 1.853 0.030 2
469 44 44 ARG HG3 H 1.626 0.030 2
470 44 44 ARG HD2 H 3.265 0.030 2
471 44 44 ARG HD3 H 3.207 0.030 2
472 44 44 ARG C C 178.301 0.300 1
473 44 44 ARG CA C 58.794 0.300 1
474 44 44 ARG CB C 30.269 0.300 1
475 44 44 ARG CG C 27.869 0.300 1
476 44 44 ARG CD C 43.448 0.300 1
477 44 44 ARG N N 118.504 0.300 1
478 45 45 LEU H H 7.764 0.030 1
479 45 45 LEU HA H 4.149 0.030 1
480 45 45 LEU HB2 H 1.717 0.030 2
481 45 45 LEU HB3 H 1.625 0.030 2
482 45 45 LEU HG H 1.700 0.030 1
483 45 45 LEU HD1 H 0.845 0.030 1
484 45 45 LEU HD2 H 0.864 0.030 1
485 45 45 LEU C C 178.645 0.300 1
486 45 45 LEU CA C 57.601 0.300 1
487 45 45 LEU CB C 43.383 0.300 1
488 45 45 LEU CG C 26.727 0.300 1
489 45 45 LEU CD1 C 24.094 0.300 2
490 45 45 LEU CD2 C 24.172 0.300 2
491 45 45 LEU N N 118.732 0.300 1
492 46 46 LEU H H 8.548 0.030 1
493 46 46 LEU HA H 4.148 0.030 1
494 46 46 LEU HB2 H 1.469 0.030 2
495 46 46 LEU HB3 H 1.228 0.030 2
496 46 46 LEU HG H 1.662 0.030 1
497 46 46 LEU HD1 H 0.764 0.030 1
498 46 46 LEU HD2 H 0.780 0.030 1
499 46 46 LEU C C 176.109 0.300 1
500 46 46 LEU CA C 54.634 0.300 1
501 46 46 LEU CB C 42.413 0.300 1
502 46 46 LEU CG C 27.127 0.300 1
503 46 46 LEU CD1 C 26.947 0.300 2
504 46 46 LEU CD2 C 22.204 0.300 2
505 46 46 LEU N N 115.345 0.300 1
506 47 47 LYS H H 7.663 0.030 1
507 47 47 LYS HA H 3.831 0.030 1
508 47 47 LYS HB2 H 2.081 0.030 2
509 47 47 LYS HB3 H 1.771 0.030 2
510 47 47 LYS HG2 H 1.275 0.030 1
511 47 47 LYS HG3 H 1.275 0.030 1
512 47 47 LYS HD2 H 1.649 0.030 1
513 47 47 LYS HD3 H 1.649 0.030 1
514 47 47 LYS HE2 H 3.011 0.030 1
515 47 47 LYS HE3 H 3.011 0.030 1
516 47 47 LYS C C 174.926 0.300 1
517 47 47 LYS CA C 56.831 0.300 1
518 47 47 LYS CB C 28.316 0.300 1
519 47 47 LYS CG C 24.915 0.300 1
520 47 47 LYS CD C 29.192 0.300 1
521 47 47 LYS CE C 42.440 0.300 1
522 47 47 LYS N N 115.681 0.300 1
523 48 48 VAL H H 7.092 0.030 1
524 48 48 VAL HA H 4.252 0.030 1
525 48 48 VAL HB H 1.120 0.030 1
526 48 48 VAL HG1 H 0.282 0.030 1
527 48 48 VAL HG2 H -0.196 0.030 1
528 48 48 VAL C C 173.469 0.300 1
529 48 48 VAL CA C 58.299 0.300 1
530 48 48 VAL CB C 35.940 0.300 1
531 48 48 VAL CG1 C 19.979 0.300 2
532 48 48 VAL CG2 C 19.342 0.300 2
533 48 48 VAL N N 118.445 0.300 1
534 49 49 PRO HA H 4.262 0.030 1
535 49 49 PRO HB2 H 2.366 0.030 2
536 49 49 PRO HB3 H 1.752 0.030 2
537 49 49 PRO HG2 H 2.015 0.030 2
538 49 49 PRO HG3 H 1.853 0.030 2
539 49 49 PRO HD2 H 3.702 0.030 2
540 49 49 PRO HD3 H 3.342 0.030 2
541 49 49 PRO C C 177.694 0.300 1
542 49 49 PRO CA C 63.200 0.300 1
543 49 49 PRO CB C 32.570 0.300 1
544 49 49 PRO CG C 27.880 0.300 1
545 49 49 PRO CD C 51.452 0.300 1
546 50 50 VAL H H 8.486 0.030 1
547 50 50 VAL HA H 3.583 0.030 1
548 50 50 VAL HB H 2.109 0.030 1
549 50 50 VAL HG1 H 1.067 0.030 1
550 50 50 VAL HG2 H 0.988 0.030 1
551 50 50 VAL C C 177.672 0.300 1
552 50 50 VAL CA C 66.373 0.300 1
553 50 50 VAL CB C 32.164 0.300 1
554 50 50 VAL CG1 C 22.497 0.300 2
555 50 50 VAL CG2 C 20.749 0.300 2
556 50 50 VAL N N 123.430 0.300 1
557 51 51 SER H H 8.147 0.030 1
558 51 51 SER HA H 4.206 0.030 1
559 51 51 SER HB2 H 4.022 0.030 2
560 51 51 SER HB3 H 3.885 0.030 2
561 51 51 SER C C 175.145 0.300 1
562 51 51 SER CA C 60.166 0.300 1
563 51 51 SER CB C 62.613 0.300 1
564 51 51 SER N N 112.378 0.300 1
565 52 52 GLU H H 7.629 0.030 1
566 52 52 GLU HA H 4.468 0.030 1
567 52 52 GLU HB2 H 2.473 0.030 2
568 52 52 GLU HB3 H 1.800 0.030 2
569 52 52 GLU HG2 H 2.251 0.030 2
570 52 52 GLU HG3 H 2.183 0.030 2
571 52 52 GLU C C 175.873 0.300 1
572 52 52 GLU CA C 55.556 0.300 1
573 52 52 GLU CB C 30.754 0.300 1
574 52 52 GLU CG C 36.366 0.300 1
575 52 52 GLU N N 119.133 0.300 1
576 53 53 LEU H H 7.123 0.030 1
577 53 53 LEU HA H 4.646 0.030 1
578 53 53 LEU HB2 H 1.224 0.030 2
579 53 53 LEU HB3 H 1.865 0.030 2
580 53 53 LEU HG H 1.733 0.030 1
581 53 53 LEU HD1 H 0.782 0.030 1
582 53 53 LEU HD2 H 0.692 0.030 1
583 53 53 LEU C C 176.067 0.300 1
584 53 53 LEU CA C 55.938 0.300 1
585 53 53 LEU CB C 44.437 0.300 1
586 53 53 LEU CG C 26.507 0.300 1
587 53 53 LEU CD1 C 27.577 0.300 2
588 53 53 LEU CD2 C 24.617 0.300 2
589 53 53 LEU N N 118.443 0.300 1
590 54 54 LEU H H 8.995 0.030 1
591 54 54 LEU HA H 4.573 0.030 1
592 54 54 LEU HB2 H 1.614 0.030 2
593 54 54 LEU HB3 H 1.491 0.030 2
594 54 54 LEU HG H 1.602 0.030 1
595 54 54 LEU HD1 H 0.830 0.030 1
596 54 54 LEU HD2 H 0.866 0.030 1
597 54 54 LEU C C 175.509 0.300 1
598 54 54 LEU CA C 54.669 0.300 1
599 54 54 LEU CB C 43.516 0.300 1
600 54 54 LEU CG C 26.850 0.300 1
601 54 54 LEU CD1 C 25.340 0.300 2
602 54 54 LEU CD2 C 23.843 0.300 2
603 54 54 LEU N N 124.742 0.300 1
604 55 55 LEU H H 8.955 0.030 1
605 55 55 LEU HA H 5.466 0.030 1
606 55 55 LEU HB2 H 1.664 0.030 2
607 55 55 LEU HB3 H 1.445 0.030 2
608 55 55 LEU HG H 1.626 0.030 1
609 55 55 LEU HD1 H 0.907 0.030 1
610 55 55 LEU HD2 H 0.879 0.030 1
611 55 55 LEU C C 174.853 0.300 1
612 55 55 LEU CA C 53.166 0.300 1
613 55 55 LEU CB C 46.826 0.300 1
614 55 55 LEU CG C 27.497 0.300 1
615 55 55 LEU CD1 C 26.232 0.300 1
616 55 55 LEU CD2 C 26.232 0.300 1
617 55 55 LEU N N 124.262 0.300 1
618 56 56 SER H H 9.027 0.030 1
619 56 56 SER HA H 5.151 0.030 1
620 56 56 SER HB2 H 3.849 0.030 2
621 56 56 SER HB3 H 3.658 0.030 2
622 56 56 SER C C 172.426 0.300 1
623 56 56 SER CA C 56.714 0.300 1
624 56 56 SER CB C 66.510 0.300 1
625 56 56 SER N N 119.341 0.300 1
626 57 57 TYR H H 9.350 0.030 1
627 57 57 TYR HA H 5.714 0.030 1
628 57 57 TYR HB2 H 3.174 0.030 2
629 57 57 TYR HB3 H 2.765 0.030 2
630 57 57 TYR HD1 H 6.812 0.030 1
631 57 57 TYR HD2 H 6.812 0.030 1
632 57 57 TYR HE1 H 6.794 0.030 1
633 57 57 TYR HE2 H 6.794 0.030 1
634 57 57 TYR C C 171.454 0.300 1
635 57 57 TYR CA C 56.185 0.300 1
636 57 57 TYR CB C 42.875 0.300 1
637 57 57 TYR CD1 C 133.242 0.300 1
638 57 57 TYR CD2 C 133.242 0.300 1
639 57 57 TYR CE1 C 119.413 0.300 1
640 57 57 TYR CE2 C 119.413 0.300 1
641 57 57 TYR N N 119.017 0.300 1
642 58 58 GLU H H 8.941 0.030 1
643 58 58 GLU HA H 4.556 0.030 1
644 58 58 GLU HB2 H 1.882 0.030 2
645 58 58 GLU HB3 H 1.766 0.030 2
646 58 58 GLU HG2 H 2.177 0.030 2
647 58 58 GLU HG3 H 2.031 0.030 2
648 58 58 GLU C C 175.654 0.300 1
649 58 58 GLU CA C 53.942 0.300 1
650 58 58 GLU CB C 34.221 0.300 1
651 58 58 GLU CG C 36.535 0.300 1
652 58 58 GLU N N 120.439 0.300 1
653 59 59 SER H H 9.098 0.030 1
654 59 59 SER HA H 4.646 0.030 1
655 59 59 SER HB2 H 3.999 0.030 2
656 59 59 SER HB3 H 3.637 0.030 2
657 59 59 SER C C 177.767 0.300 1
658 59 59 SER CA C 56.397 0.300 1
659 59 59 SER CB C 64.091 0.300 1
660 59 59 SER N N 121.964 0.300 1
661 60 60 SER H H 9.468 0.030 1
662 60 60 SER HA H 4.231 0.030 1
663 60 60 SER HB2 H 3.995 0.030 1
664 60 60 SER HB3 H 3.995 0.030 1
665 60 60 SER C C 175.630 0.300 1
666 60 60 SER CA C 61.133 0.300 1
667 60 60 SER CB C 62.814 0.300 1
668 60 60 SER N N 126.547 0.300 1
669 61 61 LYS H H 7.970 0.030 1
670 61 61 LYS HA H 4.250 0.030 1
671 61 61 LYS HB2 H 1.951 0.030 2
672 61 61 LYS HB3 H 1.713 0.030 2
673 61 61 LYS HG2 H 1.486 0.030 1
674 61 61 LYS HG3 H 1.486 0.030 1
675 61 61 LYS HD2 H 1.703 0.030 1
676 61 61 LYS HD3 H 1.703 0.030 1
677 61 61 LYS HE2 H 3.007 0.030 1
678 61 61 LYS HE3 H 3.007 0.030 1
679 61 61 LYS C C 176.941 0.300 1
680 61 61 LYS CA C 57.338 0.300 1
681 61 61 LYS CB C 33.123 0.300 1
682 61 61 LYS CG C 25.457 0.300 1
683 61 61 LYS CD C 29.198 0.300 1
684 61 61 LYS CE C 42.134 0.300 1
685 61 61 LYS N N 119.190 0.300 1
686 62 62 MET H H 7.520 0.030 1
687 62 62 MET HA H 4.832 0.030 1
688 62 62 MET HB2 H 2.034 0.030 2
689 62 62 MET HB3 H 1.857 0.030 2
690 62 62 MET HG2 H 2.476 0.030 2
691 62 62 MET HG3 H 2.413 0.030 2
692 62 62 MET HE H 2.085 0.030 1
693 62 62 MET C C 171.357 0.300 1
694 62 62 MET CA C 52.734 0.300 1
695 62 62 MET CB C 33.408 0.300 1
696 62 62 MET CG C 32.200 0.300 1
697 62 62 MET CE C 17.020 0.300 1
698 62 62 MET N N 118.046 0.300 1
699 63 63 PRO HA H 4.349 0.030 1
700 63 63 PRO HB2 H 2.251 0.030 2
701 63 63 PRO HB3 H 1.869 0.030 2
702 63 63 PRO HG2 H 1.985 0.030 1
703 63 63 PRO HG3 H 1.985 0.030 1
704 63 63 PRO HD2 H 3.532 0.030 2
705 63 63 PRO HD3 H 3.387 0.030 2
706 63 63 PRO C C 178.239 0.300 1
707 63 63 PRO CA C 63.694 0.300 1
708 63 63 PRO CB C 31.752 0.300 1
709 63 63 PRO CG C 27.559 0.300 1
710 63 63 PRO CD C 50.143 0.300 1
711 64 64 GLY H H 9.376 0.030 1
712 64 64 GLY HA2 H 4.197 0.030 2
713 64 64 GLY HA3 H 3.640 0.030 2
714 64 64 GLY C C 173.567 0.300 1
715 64 64 GLY CA C 45.398 0.300 1
716 64 64 GLY N N 111.087 0.300 1
717 65 65 ARG H H 7.332 0.030 1
718 65 65 ARG HA H 4.578 0.030 1
719 65 65 ARG HB2 H 1.845 0.030 2
720 65 65 ARG HB3 H 1.676 0.030 2
721 65 65 ARG HG2 H 1.566 0.030 2
722 65 65 ARG HG3 H 1.437 0.030 2
723 65 65 ARG HD2 H 3.157 0.030 1
724 65 65 ARG HD3 H 3.157 0.030 1
725 65 65 ARG C C 174.683 0.300 1
726 65 65 ARG CA C 54.669 0.300 1
727 65 65 ARG CB C 31.057 0.300 1
728 65 65 ARG CG C 26.891 0.300 1
729 65 65 ARG CD C 43.486 0.300 1
730 65 65 ARG N N 120.075 0.300 1
731 66 66 GLU H H 8.653 0.030 1
732 66 66 GLU HA H 4.659 0.030 1
733 66 66 GLU HB2 H 1.743 0.030 1
734 66 66 GLU HB3 H 1.743 0.030 1
735 66 66 GLU HG2 H 2.058 0.030 2
736 66 66 GLU HG3 H 1.835 0.030 2
737 66 66 GLU C C 175.922 0.300 1
738 66 66 GLU CA C 55.445 0.300 1
739 66 66 GLU CB C 31.670 0.300 1
740 66 66 GLU CG C 36.531 0.300 1
741 66 66 GLU N N 125.603 0.300 1
742 67 67 ILE H H 8.870 0.030 1
743 67 67 ILE HA H 4.209 0.030 1
744 67 67 ILE HB H 1.479 0.030 1
745 67 67 ILE HG12 H 1.266 0.030 2
746 67 67 ILE HG13 H 1.003 0.030 2
747 67 67 ILE HG2 H 1.041 0.030 1
748 67 67 ILE HD1 H 0.694 0.030 1
749 67 67 ILE C C 175.727 0.300 1
750 67 67 ILE CA C 60.204 0.300 1
751 67 67 ILE CB C 39.085 0.300 1
752 67 67 ILE CG1 C 27.752 0.300 1
753 67 67 ILE CG2 C 17.708 0.300 1
754 67 67 ILE CD1 C 12.819 0.300 1
755 67 67 ILE N N 126.141 0.300 1
756 68 68 GLU H H 8.786 0.030 1
757 68 68 GLU HA H 4.114 0.030 1
758 68 68 GLU HB2 H 1.999 0.030 1
759 68 68 GLU HB3 H 1.999 0.030 1
760 68 68 GLU HG2 H 2.319 0.030 2
761 68 68 GLU HG3 H 2.199 0.030 2
762 68 68 GLU C C 176.261 0.300 1
763 68 68 GLU CA C 57.420 0.300 1
764 68 68 GLU CB C 30.316 0.300 1
765 68 68 GLU CG C 36.322 0.300 1
766 68 68 GLU N N 126.570 0.300 1
767 69 69 LEU H H 8.446 0.030 1
768 69 69 LEU HA H 3.960 0.030 1
769 69 69 LEU HB2 H 1.577 0.030 2
770 69 69 LEU HB3 H 0.948 0.030 2
771 69 69 LEU HG H 1.260 0.030 1
772 69 69 LEU HD1 H 0.572 0.030 1
773 69 69 LEU HD2 H 0.149 0.030 1
774 69 69 LEU C C 176.140 0.300 1
775 69 69 LEU CA C 52.554 0.300 1
776 69 69 LEU CB C 38.977 0.300 1
777 69 69 LEU CG C 26.295 0.300 1
778 69 69 LEU CD1 C 26.007 0.300 2
779 69 69 LEU CD2 C 23.839 0.300 2
780 69 69 LEU N N 126.542 0.300 1
781 70 70 GLU H H 7.239 0.030 1
782 70 70 GLU HA H 4.279 0.030 1
783 70 70 GLU HB2 H 2.150 0.030 2
784 70 70 GLU HB3 H 2.044 0.030 2
785 70 70 GLU HG2 H 2.310 0.030 1
786 70 70 GLU HG3 H 2.310 0.030 1
787 70 70 GLU C C 175.436 0.300 1
788 70 70 GLU CA C 58.567 0.300 1
789 70 70 GLU CB C 31.340 0.300 1
790 70 70 GLU CG C 36.055 0.300 1
791 70 70 GLU N N 118.695 0.300 1
792 71 71 ASN H H 8.025 0.030 1
793 71 71 ASN HA H 4.951 0.030 1
794 71 71 ASN HB2 H 3.120 0.030 2
795 71 71 ASN HB3 H 2.696 0.030 2
796 71 71 ASN HD21 H 7.639 0.030 2
797 71 71 ASN HD22 H 7.021 0.030 2
798 71 71 ASN C C 175.557 0.300 1
799 71 71 ASN CA C 51.508 0.300 1
800 71 71 ASN CB C 39.046 0.300 1
801 71 71 ASN N N 117.818 0.300 1
802 71 71 ASN ND2 N 112.021 0.300 1
803 72 72 ASP H H 8.720 0.030 1
804 72 72 ASP HA H 4.374 0.030 1
805 72 72 ASP HB2 H 2.560 0.030 1
806 72 72 ASP HB3 H 2.560 0.030 1
807 72 72 ASP C C 176.598 0.300 1
808 72 72 ASP CA C 56.820 0.300 1
809 72 72 ASP CB C 41.498 0.300 1
810 72 72 ASP N N 125.061 0.300 1
811 73 73 LEU H H 8.034 0.030 1
812 73 73 LEU HA H 4.365 0.030 1
813 73 73 LEU HB2 H 1.667 0.030 1
814 73 73 LEU HB3 H 1.667 0.030 1
815 73 73 LEU HG H 1.689 0.030 1
816 73 73 LEU HD1 H 0.932 0.030 1
817 73 73 LEU HD2 H 0.823 0.030 1
818 73 73 LEU C C 177.767 0.300 1
819 73 73 LEU CA C 54.631 0.300 1
820 73 73 LEU CB C 41.474 0.300 1
821 73 73 LEU CG C 27.184 0.300 1
822 73 73 LEU CD1 C 25.107 0.300 2
823 73 73 LEU CD2 C 22.335 0.300 2
824 73 73 LEU N N 114.554 0.300 1
825 74 74 GLN H H 7.324 0.030 1
826 74 74 GLN HA H 4.914 0.030 1
827 74 74 GLN HB2 H 1.888 0.030 2
828 74 74 GLN HB3 H 1.791 0.030 2
829 74 74 GLN HG2 H 1.844 0.030 2
830 74 74 GLN HG3 H 1.580 0.030 2
831 74 74 GLN HE21 H 5.982 0.030 2
832 74 74 GLN HE22 H 5.930 0.030 2
833 74 74 GLN C C 174.489 0.300 1
834 74 74 GLN CA C 52.774 0.300 1
835 74 74 GLN CB C 29.016 0.300 1
836 74 74 GLN CG C 30.557 0.300 1
837 74 74 GLN N N 117.539 0.300 1
838 74 74 GLN NE2 N 108.376 0.300 1
839 75 75 PRO HA H 4.965 0.030 1
840 75 75 PRO HB2 H 2.299 0.030 2
841 75 75 PRO HB3 H 2.190 0.030 2
842 75 75 PRO HG2 H 2.155 0.030 2
843 75 75 PRO HG3 H 2.003 0.030 2
844 75 75 PRO HD2 H 4.109 0.030 2
845 75 75 PRO HD3 H 3.753 0.030 2
846 75 75 PRO C C 177.912 0.300 1
847 75 75 PRO CA C 61.085 0.300 1
848 75 75 PRO CB C 32.576 0.300 1
849 75 75 PRO CG C 27.352 0.300 1
850 75 75 PRO CD C 50.362 0.300 1
851 76 76 LEU H H 8.075 0.030 1
852 76 76 LEU HA H 4.023 0.030 1
853 76 76 LEU HB2 H 1.915 0.030 2
854 76 76 LEU HB3 H 1.094 0.030 2
855 76 76 LEU HG H 1.968 0.030 1
856 76 76 LEU HD1 H 0.677 0.030 1
857 76 76 LEU HD2 H 0.761 0.030 1
858 76 76 LEU C C 179.771 0.300 1
859 76 76 LEU CA C 58.759 0.300 1
860 76 76 LEU CB C 41.610 0.300 1
861 76 76 LEU CG C 26.228 0.300 1
862 76 76 LEU CD1 C 22.183 0.300 2
863 76 76 LEU CD2 C 25.906 0.300 2
864 76 76 LEU N N 120.190 0.300 1
865 77 77 GLN H H 8.543 0.030 1
866 77 77 GLN HA H 4.402 0.030 1
867 77 77 GLN HB2 H 1.986 0.030 2
868 77 77 GLN HB3 H 1.898 0.030 2
869 77 77 GLN HG2 H 2.383 0.030 2
870 77 77 GLN HG3 H 2.321 0.030 2
871 77 77 GLN HE21 H 7.438 0.030 2
872 77 77 GLN HE22 H 6.724 0.030 2
873 77 77 GLN C C 178.616 0.300 1
874 77 77 GLN CA C 58.159 0.300 1
875 77 77 GLN CB C 28.786 0.300 1
876 77 77 GLN CG C 33.309 0.300 1
877 77 77 GLN N N 114.352 0.300 1
878 77 77 GLN NE2 N 111.032 0.300 1
879 78 78 PHE H H 7.891 0.030 1
880 78 78 PHE HA H 4.082 0.030 1
881 78 78 PHE HB2 H 3.101 0.030 2
882 78 78 PHE HB3 H 2.952 0.030 2
883 78 78 PHE HD1 H 6.239 0.030 1
884 78 78 PHE HD2 H 6.239 0.030 1
885 78 78 PHE HE1 H 7.085 0.030 1
886 78 78 PHE HE2 H 7.085 0.030 1
887 78 78 PHE HZ H 7.161 0.030 1
888 78 78 PHE C C 176.347 0.300 1
889 78 78 PHE CA C 60.556 0.300 1
890 78 78 PHE CB C 39.662 0.300 1
891 78 78 PHE CD1 C 131.717 0.300 1
892 78 78 PHE CD2 C 131.717 0.300 1
893 78 78 PHE CE1 C 131.347 0.300 1
894 78 78 PHE CE2 C 131.347 0.300 1
895 78 78 PHE CZ C 129.764 0.300 1
896 78 78 PHE N N 121.040 0.300 1
897 79 79 TYR H H 7.458 0.030 1
898 79 79 TYR HA H 4.281 0.030 1
899 79 79 TYR HB2 H 3.336 0.030 2
900 79 79 TYR HB3 H 2.587 0.030 2
901 79 79 TYR HD1 H 7.234 0.030 1
902 79 79 TYR HD2 H 7.234 0.030 1
903 79 79 TYR HE1 H 7.092 0.030 1
904 79 79 TYR HE2 H 7.092 0.030 1
905 79 79 TYR C C 174.808 0.300 1
906 79 79 TYR CA C 58.582 0.300 1
907 79 79 TYR CB C 39.539 0.300 1
908 79 79 TYR CD1 C 133.980 0.300 1
909 79 79 TYR CD2 C 133.980 0.300 1
910 79 79 TYR CE1 C 118.946 0.300 1
911 79 79 TYR CE2 C 118.946 0.300 1
912 79 79 TYR N N 115.040 0.300 1
913 80 80 SER H H 7.905 0.030 1
914 80 80 SER HA H 4.073 0.030 1
915 80 80 SER HB2 H 4.145 0.030 2
916 80 80 SER HB3 H 4.077 0.030 2
917 80 80 SER C C 172.814 0.300 1
918 80 80 SER CA C 58.688 0.300 1
919 80 80 SER CB C 60.859 0.300 1
920 80 80 SER N N 111.203 0.300 1
921 81 81 VAL H H 6.265 0.030 1
922 81 81 VAL HA H 3.420 0.030 1
923 81 81 VAL HB H 1.251 0.030 1
924 81 81 VAL HG1 H 0.674 0.030 1
925 81 81 VAL HG2 H 0.118 0.030 1
926 81 81 VAL C C 174.319 0.300 1
927 81 81 VAL CA C 63.029 0.300 1
928 81 81 VAL CB C 31.505 0.300 1
929 81 81 VAL CG1 C 22.795 0.300 2
930 81 81 VAL CG2 C 20.906 0.300 2
931 81 81 VAL N N 118.105 0.300 1
932 82 82 GLU H H 8.966 0.030 1
933 82 82 GLU HA H 4.637 0.030 1
934 82 82 GLU HB2 H 2.062 0.030 2
935 82 82 GLU HB3 H 1.940 0.030 2
936 82 82 GLU HG2 H 2.504 0.030 2
937 82 82 GLU HG3 H 2.167 0.030 2
938 82 82 GLU C C 175.346 0.300 1
939 82 82 GLU CA C 54.563 0.300 1
940 82 82 GLU CB C 33.867 0.300 1
941 82 82 GLU CG C 36.887 0.300 1
942 82 82 GLU N N 125.693 0.300 1
943 83 83 ASN H H 8.627 0.030 1
944 83 83 ASN HA H 4.300 0.030 1
945 83 83 ASN HB2 H 2.769 0.030 1
946 83 83 ASN HB3 H 2.769 0.030 1
947 83 83 ASN HD21 H 7.705 0.030 2
948 83 83 ASN HD22 H 7.186 0.030 2
949 83 83 ASN C C 176.820 0.300 1
950 83 83 ASN CA C 55.663 0.300 1
951 83 83 ASN CB C 39.290 0.300 1
952 83 83 ASN N N 117.205 0.300 1
953 83 83 ASN ND2 N 114.224 0.300 1
954 84 84 GLY H H 9.158 0.030 1
955 84 84 GLY HA2 H 4.373 0.030 2
956 84 84 GLY HA3 H 3.759 0.030 2
957 84 84 GLY C C 174.441 0.300 1
958 84 84 GLY CA C 45.116 0.300 1
959 84 84 GLY N N 113.956 0.300 1
960 85 85 ASP H H 7.922 0.030 1
961 85 85 ASP HA H 4.912 0.030 1
962 85 85 ASP HB2 H 3.052 0.030 2
963 85 85 ASP HB3 H 2.975 0.030 2
964 85 85 ASP C C 172.756 0.300 1
965 85 85 ASP CA C 55.336 0.300 1
966 85 85 ASP CB C 41.392 0.300 1
967 85 85 ASP N N 121.428 0.300 1
968 86 86 CYS H H 8.002 0.030 1
969 86 86 CYS HA H 5.369 0.030 1
970 86 86 CYS HB2 H 2.959 0.030 2
971 86 86 CYS HB3 H 2.778 0.030 2
972 86 86 CYS C C 174.794 0.300 1
973 86 86 CYS CA C 56.432 0.300 1
974 86 86 CYS CB C 29.627 0.300 1
975 86 86 CYS N N 115.594 0.300 1
976 87 87 LEU H H 9.652 0.030 1
977 87 87 LEU HA H 4.925 0.030 1
978 87 87 LEU HB2 H 1.865 0.030 2
979 87 87 LEU HB3 H 1.401 0.030 2
980 87 87 LEU HG H 1.743 0.030 1
981 87 87 LEU HD1 H 0.762 0.030 1
982 87 87 LEU HD2 H 0.784 0.030 1
983 87 87 LEU C C 174.465 0.300 1
984 87 87 LEU CA C 54.244 0.300 1
985 87 87 LEU CB C 42.990 0.300 1
986 87 87 LEU CG C 27.015 0.300 1
987 87 87 LEU CD1 C 25.655 0.300 2
988 87 87 LEU CD2 C 23.348 0.300 2
989 87 87 LEU N N 127.686 0.300 1
990 88 88 LEU H H 9.111 0.030 1
991 88 88 LEU HA H 5.136 0.030 1
992 88 88 LEU HB2 H 1.786 0.030 2
993 88 88 LEU HB3 H 1.206 0.030 2
994 88 88 LEU HG H 1.517 0.030 1
995 88 88 LEU HD1 H 0.711 0.030 1
996 88 88 LEU HD2 H 0.756 0.030 1
997 88 88 LEU C C 175.922 0.300 1
998 88 88 LEU CA C 53.788 0.300 1
999 88 88 LEU CB C 41.740 0.300 1
1000 88 88 LEU CG C 27.615 0.300 1
1001 88 88 LEU CD1 C 25.363 0.300 2
1002 88 88 LEU CD2 C 25.032 0.300 2
1003 88 88 LEU N N 125.753 0.300 1
1004 89 89 VAL H H 8.805 0.030 1
1005 89 89 VAL HA H 4.780 0.030 1
1006 89 89 VAL HB H 2.139 0.030 1
1007 89 89 VAL HG1 H 1.020 0.030 1
1008 89 89 VAL HG2 H 0.871 0.030 1
1009 89 89 VAL C C 175.048 0.300 1
1010 89 89 VAL CA C 60.803 0.300 1
1011 89 89 VAL CB C 33.977 0.300 1
1012 89 89 VAL CG1 C 22.473 0.300 2
1013 89 89 VAL CG2 C 22.444 0.300 2
1014 89 89 VAL N N 122.198 0.300 1
1015 90 90 ARG H H 8.880 0.030 1
1016 90 90 ARG HA H 4.600 0.030 1
1017 90 90 ARG HB2 H 1.725 0.030 2
1018 90 90 ARG HB3 H 1.635 0.030 2
1019 90 90 ARG HG2 H 1.498 0.030 2
1020 90 90 ARG HG3 H 1.449 0.030 2
1021 90 90 ARG HD2 H 3.053 0.030 2
1022 90 90 ARG HD3 H 2.954 0.030 2
1023 90 90 ARG C C 173.735 0.300 1
1024 90 90 ARG CA C 54.704 0.300 1
1025 90 90 ARG CB C 34.224 0.300 1
1026 90 90 ARG CG C 28.727 0.300 1
1027 90 90 ARG CD C 43.535 0.300 1
1028 90 90 ARG N N 126.649 0.300 1
1029 91 91 TRP H H 7.880 0.030 1
1030 91 91 TRP HA H 5.363 0.030 1
1031 91 91 TRP HB2 H 3.460 0.030 2
1032 91 91 TRP HB3 H 3.113 0.030 2
1033 91 91 TRP HD1 H 7.175 0.030 1
1034 91 91 TRP HE1 H 10.295 0.030 1
1035 91 91 TRP HE3 H 7.200 0.030 1
1036 91 91 TRP HZ2 H 7.406 0.030 1
1037 91 91 TRP HH2 H 7.084 0.030 1
1038 91 91 TRP C C 175.703 0.300 1
1039 91 91 TRP CA C 56.583 0.300 1
1040 91 91 TRP CB C 30.740 0.300 1
1041 91 91 TRP CD1 C 128.000 0.300 1
1042 91 91 TRP CE3 C 120.493 0.300 1
1043 91 91 TRP CZ2 C 114.774 0.300 1
1044 91 91 TRP CZ3 C 121.526 0.300 1
1045 91 91 TRP CH2 C 123.699 0.300 1
1046 91 91 TRP N N 117.353 0.300 1
1047 91 91 TRP NE1 N 130.504 0.300 1
1048 92 92 SER H H 8.753 0.030 1
1049 92 92 SER HA H 4.474 0.030 1
1050 92 92 SER HB2 H 3.883 0.030 2
1051 92 92 SER HB3 H 3.834 0.030 2
1052 92 92 SER C C 174.505 0.300 1
1053 92 92 SER CA C 58.406 0.300 1
1054 92 92 SER CB C 64.137 0.300 1
1055 92 92 SER N N 117.366 0.300 1
1056 93 93 GLY H H 7.933 0.030 1
1057 93 93 GLY HA2 H 4.059 0.030 2
1058 93 93 GLY HA3 H 3.926 0.030 2
1059 93 93 GLY C C 171.624 0.300 1
1060 93 93 GLY CA C 44.661 0.300 1
1061 93 93 GLY N N 110.442 0.300 1
1062 94 94 PRO HA H 4.518 0.030 1
1063 94 94 PRO HB2 H 2.319 0.030 2
1064 94 94 PRO HB3 H 1.993 0.030 2
1065 94 94 PRO HG2 H 2.038 0.030 1
1066 94 94 PRO HG3 H 2.038 0.030 1
1067 94 94 PRO HD2 H 3.613 0.030 1
1068 94 94 PRO HD3 H 3.613 0.030 1
1069 94 94 PRO C C 177.599 0.300 1
1070 94 94 PRO CA C 63.251 0.300 1
1071 94 94 PRO CB C 32.247 0.300 1
1072 94 94 PRO CG C 27.221 0.300 1
1073 94 94 PRO CD C 49.767 0.300 1
1074 95 95 SER H H 8.619 0.030 1
1075 95 95 SER HA H 4.636 0.030 1
1076 95 95 SER HB2 H 3.927 0.030 1
1077 95 95 SER HB3 H 3.927 0.030 1
1078 95 95 SER C C 174.780 0.300 1
1079 95 95 SER CA C 54.704 0.300 1
1080 95 95 SER CB C 63.885 0.300 1
1081 95 95 SER N N 116.620 0.300 1
1082 96 96 SER H H 8.365 0.030 1
1083 96 96 SER HA H 4.477 0.030 1
1084 96 96 SER HB2 H 3.860 0.030 1
1085 96 96 SER HB3 H 3.860 0.030 1
1086 96 96 SER C C 173.995 0.300 1
1087 96 96 SER CA C 58.406 0.300 1
1088 96 96 SER CB C 64.214 0.300 1
1089 96 96 SER N N 117.839 0.300 1
1090 97 97 GLY H H 8.059 0.030 1
1091 97 97 GLY HA2 H 3.773 0.030 1
1092 97 97 GLY HA3 H 3.773 0.030 1
1093 97 97 GLY C C 179.029 0.300 1
1094 97 97 GLY CA C 46.352 0.300 1
1095 97 97 GLY N N 116.862 0.300 1
stop_
save_