data_6396
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical shift Assignment for mouse Roadblock/LC7 domain BC029172
;
_BMRB_accession_number 6396
_BMRB_flat_file_name bmr6396.str
_Entry_type original
_Submission_date 2004-11-22
_Accession_date 2004-11-22
_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 Song Jikui . .
2 Vinarov Dmitriy A. .
3 Tyler Ejan M. .
4 Shahan Mark N. .
5 'Loushin Newman' Carrie . .
6 Tyler Robert C. .
7 Lee Min S. .
8 Markley John L. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 517
"13C chemical shifts" 399
"15N chemical shifts" 108
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-01-29 original author .
stop_
_Original_release_date 2007-01-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of isoform 1 of Roadblock/LC7, a light chain in the dynein
complex
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16289575
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Song Jikui . .
2 Tyler Robert C. .
3 Lee Min S. .
4 Tyler Ejan M. .
5 Markley John L. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 354
_Journal_issue 5
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1043
_Page_last 1051
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name BC029172
_Abbreviation_common BC029172
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
BC029172 $Roadblock-LC_domain
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Roadblock-LC_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common BC029172
_Abbreviation_common BC029172
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 104
_Mol_residue_sequence
;
GHHHHHHLEAEVEETLKRLQ
SQKGVQGIIVVNTEGIPIKS
TMDNPTTTQYANLMHNFILK
ARSTVREIDPQNDLTFLRIR
SKKNEIMVAPDKDYFLIVIQ
NPTE
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 HIS 3 HIS 4 HIS 5 HIS
6 HIS 7 HIS 8 LEU 9 GLU 10 ALA
11 GLU 12 VAL 13 GLU 14 GLU 15 THR
16 LEU 17 LYS 18 ARG 19 LEU 20 GLN
21 SER 22 GLN 23 LYS 24 GLY 25 VAL
26 GLN 27 GLY 28 ILE 29 ILE 30 VAL
31 VAL 32 ASN 33 THR 34 GLU 35 GLY
36 ILE 37 PRO 38 ILE 39 LYS 40 SER
41 THR 42 MET 43 ASP 44 ASN 45 PRO
46 THR 47 THR 48 THR 49 GLN 50 TYR
51 ALA 52 ASN 53 LEU 54 MET 55 HIS
56 ASN 57 PHE 58 ILE 59 LEU 60 LYS
61 ALA 62 ARG 63 SER 64 THR 65 VAL
66 ARG 67 GLU 68 ILE 69 ASP 70 PRO
71 GLN 72 ASN 73 ASP 74 LEU 75 THR
76 PHE 77 LEU 78 ARG 79 ILE 80 ARG
81 SER 82 LYS 83 LYS 84 ASN 85 GLU
86 ILE 87 MET 88 VAL 89 ALA 90 PRO
91 ASP 92 LYS 93 ASP 94 TYR 95 PHE
96 LEU 97 ILE 98 VAL 99 ILE 100 GLN
101 ASN 102 PRO 103 THR 104 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-26
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 1Y4O "Solution Structure Of A Mouse Cytoplasmic RoadblockLC7 Dynein Light Chain" 100.00 104 100.00 100.00 1.61e-69
DBJ BAB22038 "unnamed protein product [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
DBJ BAB22788 "unnamed protein product [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
DBJ BAB25768 "unnamed protein product [Mus musculus]" 91.35 96 98.95 100.00 2.64e-61
DBJ BAE38944 "unnamed protein product [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
GB AAC25580 "bithoraxoid-like protein [Rattus norvegicus]" 91.35 96 100.00 100.00 6.84e-62
GB AAH58437 "Dynein light chain roadblock-type 1 [Rattus norvegicus]" 91.35 96 100.00 100.00 6.84e-62
GB AAH99423 "Dynein light chain roadblock-type 1 [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
GB AAI02139 "Dynein light chain roadblock-type 1 [Bos taurus]" 91.35 96 100.00 100.00 6.84e-62
GB AAI25611 "Dynein light chain roadblock-type 1 [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
REF NP_001029614 "dynein light chain roadblock-type 1 [Bos taurus]" 91.35 96 100.00 100.00 6.84e-62
REF NP_001177109 "dynein light chain roadblock-type 1 [Sus scrofa]" 91.35 96 98.95 100.00 3.05e-61
REF NP_001239348 "dynein light chain roadblock-type 1 [Canis lupus familiaris]" 91.35 96 100.00 100.00 6.84e-62
REF NP_001278037 "dynein light chain roadblock-type 1 isoform a [Mus musculus]" 93.27 104 98.97 98.97 2.46e-62
REF NP_080223 "dynein light chain roadblock-type 1 isoform b [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
SP P62627 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Dynein light chain 2A, cytoplasmic [Mus musculus]" 91.35 96 100.00 100.00 6.84e-62
SP P62628 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; Short=robl/LC7-like prote" 91.35 96 100.00 100.00 6.84e-62
SP Q3T140 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Dynein light chain 2A, cytoplasmic [Bos taurus]" 91.35 96 100.00 100.00 6.84e-62
TPG DAA23215 "TPA: dynein light chain roadblock-type 1 [Bos taurus]" 91.35 96 100.00 100.00 6.84e-62
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Roadblock-LC_domain 'house mouse' 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Roadblock-LC_domain 'cell free synthesis' . . . . .
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
$Roadblock-LC_domain 1 mM '[U-15N; U-13C]'
'Sodium Chloride' 100 mM .
'Sodium Acetate' 10 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-NOESY'
_Sample_label $sample_1
save_
save_3D_13C-NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-NOESY'
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.0 0.1 pH
temperature 298 0.2 K
pressure 1 0.05 atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name BC029172
_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 HIS CA C 55.502 0.15 1
2 . 6 HIS CB C 29.681 0.15 1
3 . 7 HIS C C 174.433 0.15 1
4 . 7 HIS CA C 55.572 0.15 1
5 . 7 HIS CB C 29.441 0.15 1
6 . 7 HIS HA H 4.699 0.05 2
7 . 7 HIS HB2 H 3.241 0.05 2
8 . 7 HIS H H 8.697 0.05 1
9 . 7 HIS N N 120.735 0.15 1
10 . 8 LEU C C 176.775 0.15 1
11 . 8 LEU CA C 55.722 0.15 1
12 . 8 LEU CB C 42.605 0.15 1
13 . 8 LEU CD1 C 24.649 0.15 1
14 . 8 LEU HA H 4.259 0.05 2
15 . 8 LEU HB2 H 1.574 0.05 2
16 . 8 LEU H H 8.657 0.05 1
17 . 8 LEU N N 124.364 0.15 1
18 . 8 LEU HD1 H 0.705 0.05 2
19 . 9 GLU C C 177.691 0.15 1
20 . 9 GLU CA C 58.572 0.15 1
21 . 9 GLU CB C 29.383 0.15 1
22 . 9 GLU CG C 36.880 0.15 1
23 . 9 GLU HA H 4.101 0.05 2
24 . 9 GLU HB2 H 2.090 0.05 2
25 . 9 GLU HB3 H 2.222 0.05 2
26 . 9 GLU HG2 H 2.516 0.05 2
27 . 9 GLU H H 9.020 0.05 1
28 . 9 GLU N N 121.886 0.15 1
29 . 10 ALA C C 179.926 0.15 1
30 . 10 ALA CA C 55.226 0.15 1
31 . 10 ALA CB C 18.512 0.15 1
32 . 10 ALA HA H 4.147 0.05 2
33 . 10 ALA H H 8.493 0.05 1
34 . 10 ALA N N 124.668 0.15 1
35 . 10 ALA HB H 1.489 0.05 1
36 . 11 GLU C C 179.016 0.15 1
37 . 11 GLU CA C 59.295 0.15 1
38 . 11 GLU CB C 29.197 0.15 1
39 . 11 GLU CG C 35.937 0.15 1
40 . 11 GLU HA H 4.153 0.05 2
41 . 11 GLU HB2 H 2.138 0.05 2
42 . 11 GLU HG2 H 2.214 0.05 2
43 . 11 GLU HG3 H 2.423 0.05 2
44 . 11 GLU H H 8.773 0.05 1
45 . 11 GLU N N 117.492 0.15 1
46 . 12 VAL C C 177.580 0.15 1
47 . 12 VAL CA C 65.550 0.15 1
48 . 12 VAL CB C 31.551 0.15 1
49 . 12 VAL CG1 C 22.429 0.15 1
50 . 12 VAL CG2 C 21.494 0.15 1
51 . 12 VAL HA H 3.755 0.05 2
52 . 12 VAL HB H 2.125 0.05 2
53 . 12 VAL H H 7.687 0.05 1
54 . 12 VAL N N 120.129 0.15 1
55 . 12 VAL HG1 H 0.935 0.05 2
56 . 12 VAL HG2 H 0.793 0.05 2
57 . 13 GLU C C 179.245 0.15 1
58 . 13 GLU CA C 59.737 0.15 1
59 . 13 GLU CB C 29.102 0.15 1
60 . 13 GLU CG C 35.941 0.15 1
61 . 13 GLU HA H 3.951 0.05 2
62 . 13 GLU HB2 H 2.112 0.05 2
63 . 13 GLU HG2 H 2.208 0.05 2
64 . 13 GLU HG3 H 2.365 0.05 2
65 . 13 GLU H H 7.934 0.05 1
66 . 13 GLU N N 119.599 0.15 1
67 . 14 GLU C C 179.045 0.15 1
68 . 14 GLU CA C 59.325 0.15 1
69 . 14 GLU CB C 29.123 0.15 1
70 . 14 GLU CG C 35.645 0.15 1
71 . 14 GLU HA H 4.063 0.05 2
72 . 14 GLU HB2 H 2.138 0.05 2
73 . 14 GLU HG2 H 2.396 0.05 2
74 . 14 GLU H H 8.233 0.05 1
75 . 14 GLU N N 119.011 0.15 1
76 . 15 THR C C 175.948 0.15 1
77 . 15 THR CA C 67.132 0.15 1
78 . 15 THR CB C 68.394 0.15 1
79 . 15 THR CG2 C 21.858 0.15 1
80 . 15 THR HA H 3.900 0.05 2
81 . 15 THR HB H 4.370 0.05 2
82 . 15 THR H H 7.947 0.05 1
83 . 15 THR N N 119.029 0.15 1
84 . 15 THR HG2 H 1.211 0.05 1
85 . 16 LEU C C 178.510 0.15 1
86 . 16 LEU CA C 59.008 0.15 1
87 . 16 LEU CB C 41.401 0.15 1
88 . 16 LEU CD1 C 25.395 0.15 1
89 . 16 LEU CD2 C 24.150 0.15 1
90 . 16 LEU CG C 27.543 0.15 1
91 . 16 LEU HA H 3.851 0.05 2
92 . 16 LEU HB2 H 1.621 0.05 2
93 . 16 LEU HB3 H 1.740 0.05 2
94 . 16 LEU HG H 1.733 0.05 2
95 . 16 LEU H H 8.350 0.05 1
96 . 16 LEU N N 121.427 0.15 1
97 . 16 LEU HD1 H 0.727 0.05 2
98 . 16 LEU HD2 H 0.723 0.05 2
99 . 17 LYS C C 179.422 0.15 1
100 . 17 LYS CA C 59.501 0.15 1
101 . 17 LYS CB C 32.450 0.15 1
102 . 17 LYS CD C 29.431 0.15 1
103 . 17 LYS CG C 25.341 0.15 1
104 . 17 LYS HA H 4.032 0.05 2
105 . 17 LYS HB2 H 1.927 0.05 2
106 . 17 LYS HD2 H 1.714 0.05 2
107 . 17 LYS HE2 H 2.972 0.05 2
108 . 17 LYS HG2 H 1.433 0.05 2
109 . 17 LYS HG3 H 1.610 0.05 2
110 . 17 LYS H H 7.934 0.05 1
111 . 17 LYS N N 118.521 0.15 1
112 . 18 ARG C C 179.586 0.15 1
113 . 18 ARG CA C 59.233 0.15 1
114 . 18 ARG CB C 30.145 0.15 1
115 . 18 ARG CD C 43.475 0.15 1
116 . 18 ARG CG C 27.804 0.15 1
117 . 18 ARG HA H 4.127 0.05 2
118 . 18 ARG HB2 H 1.999 0.05 2
119 . 18 ARG HD2 H 3.255 0.05 2
120 . 18 ARG HE H 7.485 0.05 2
121 . 18 ARG HG2 H 1.618 0.05 2
122 . 18 ARG HG3 H 1.799 0.05 2
123 . 18 ARG H H 7.835 0.05 1
124 . 18 ARG N N 119.317 0.15 1
125 . 18 ARG NE N 84.063 0.15 1
126 . 19 LEU C C 178.668 0.15 1
127 . 19 LEU CA C 57.413 0.15 1
128 . 19 LEU CB C 42.884 0.15 1
129 . 19 LEU CD1 C 22.969 0.15 1
130 . 19 LEU CG C 26.722 0.15 1
131 . 19 LEU HA H 4.135 0.05 2
132 . 19 LEU HB2 H 1.377 0.05 2
133 . 19 LEU HB3 H 1.896 0.05 2
134 . 19 LEU HG H 0.862 0.05 2
135 . 19 LEU H H 8.219 0.05 1
136 . 19 LEU N N 120.109 0.15 1
137 . 19 LEU HD1 H 0.875 0.05 2
138 . 20 GLN C C 176.435 0.15 1
139 . 20 GLN CA C 58.223 0.15 1
140 . 20 GLN CB C 28.996 0.15 1
141 . 20 GLN CG C 34.591 0.15 1
142 . 20 GLN HA H 3.996 0.05 2
143 . 20 GLN HB2 H 2.163 0.05 2
144 . 20 GLN HE21 H 6.774 0.05 2
145 . 20 GLN HE22 H 7.371 0.05 2
146 . 20 GLN HG3 H 2.437 0.05 2
147 . 20 GLN H H 8.263 0.05 1
148 . 20 GLN N N 116.038 0.15 1
149 . 20 GLN NE2 N 110.496 0.15 1
150 . 21 SER C C 174.205 0.15 1
151 . 21 SER CA C 58.529 0.15 1
152 . 21 SER CB C 64.018 0.15 1
153 . 21 SER HA H 4.523 0.05 2
154 . 21 SER HB2 H 4.015 0.05 2
155 . 21 SER H H 7.491 0.05 1
156 . 21 SER N N 111.765 0.15 1
157 . 22 GLN C C 176.005 0.15 1
158 . 22 GLN CA C 55.853 0.15 1
159 . 22 GLN CB C 29.357 0.15 1
160 . 22 GLN CG C 34.220 0.15 1
161 . 22 GLN HA H 4.301 0.05 2
162 . 22 GLN HB2 H 2.154 0.05 2
163 . 22 GLN HB3 H 2.204 0.05 2
164 . 22 GLN HE21 H 6.841 0.05 2
165 . 22 GLN HE22 H 7.433 0.05 2
166 . 22 GLN HG2 H 2.447 0.05 2
167 . 22 GLN HG3 H 2.530 0.05 2
168 . 22 GLN H H 7.570 0.05 1
169 . 22 GLN N N 122.210 0.15 1
170 . 22 GLN NE2 N 111.656 0.15 1
171 . 23 LYS C C 177.818 0.15 1
172 . 23 LYS CA C 57.645 0.15 1
173 . 23 LYS CB C 32.523 0.15 1
174 . 23 LYS CD C 29.196 0.15 1
175 . 23 LYS CE C 42.138 0.15 1
176 . 23 LYS CG C 24.857 0.15 1
177 . 23 LYS HA H 4.189 0.05 2
178 . 23 LYS HB2 H 1.839 0.05 2
179 . 23 LYS HD2 H 1.735 0.05 2
180 . 23 LYS HE2 H 3.024 0.05 2
181 . 23 LYS HG2 H 1.473 0.05 2
182 . 23 LYS H H 8.597 0.05 1
183 . 23 LYS N N 124.610 0.15 1
184 . 24 GLY C C 174.553 0.15 1
185 . 24 GLY CA C 45.834 0.15 1
186 . 24 GLY HA2 H 4.268 0.05 2
187 . 24 GLY HA3 H 3.834 0.05 2
188 . 24 GLY H H 8.865 0.05 1
189 . 24 GLY N N 111.561 0.15 1
190 . 25 VAL C C 176.306 0.15 1
191 . 25 VAL CA C 64.891 0.15 1
192 . 25 VAL CB C 31.947 0.15 1
193 . 25 VAL CG1 C 22.936 0.15 1
194 . 25 VAL CG2 C 21.694 0.15 1
195 . 25 VAL HA H 3.874 0.05 2
196 . 25 VAL HB H 2.200 0.05 2
197 . 25 VAL H H 7.652 0.05 1
198 . 25 VAL N N 121.043 0.15 1
199 . 25 VAL HG1 H 0.954 0.05 2
200 . 25 VAL HG2 H 0.858 0.05 2
201 . 26 GLN C C 176.812 0.15 1
202 . 26 GLN CA C 56.175 0.15 1
203 . 26 GLN CB C 29.904 0.15 1
204 . 26 GLN CG C 33.788 0.15 1
205 . 26 GLN HA H 4.429 0.05 2
206 . 26 GLN HB2 H 1.670 0.05 2
207 . 26 GLN HB3 H 2.067 0.05 2
208 . 26 GLN HE21 H 6.801 0.05 2
209 . 26 GLN HE22 H 7.454 0.05 2
210 . 26 GLN HG3 H 2.378 0.05 2
211 . 26 GLN H H 9.622 0.05 1
212 . 26 GLN N N 128.444 0.15 1
213 . 26 GLN NE2 N 110.039 0.15 1
214 . 27 GLY C C 169.783 0.15 1
215 . 27 GLY CA C 45.725 0.15 1
216 . 27 GLY HA2 H 4.049 0.05 2
217 . 27 GLY H H 7.800 0.05 1
218 . 27 GLY N N 106.069 0.15 1
219 . 28 ILE C C 174.107 0.15 1
220 . 28 ILE CA C 60.461 0.15 1
221 . 28 ILE CB C 42.651 0.15 1
222 . 28 ILE CD1 C 16.407 0.15 1
223 . 28 ILE CG1 C 28.386 0.15 1
224 . 28 ILE CG2 C 19.008 0.15 1
225 . 28 ILE HA H 5.186 0.05 2
226 . 28 ILE HB H 1.575 0.05 2
227 . 28 ILE HG12 H 1.051 0.05 2
228 . 28 ILE HG13 H 1.544 0.05 2
229 . 28 ILE H H 8.154 0.05 1
230 . 28 ILE N N 118.945 0.15 1
231 . 28 ILE HD1 H 0.859 0.05 1
232 . 28 ILE HG2 H 0.823 0.05 1
233 . 29 ILE C C 174.113 0.15 1
234 . 29 ILE CA C 60.617 0.15 1
235 . 29 ILE CB C 42.978 0.15 1
236 . 29 ILE CD1 C 16.456 0.15 1
237 . 29 ILE CG2 C 18.751 0.15 1
238 . 29 ILE HA H 4.697 0.05 2
239 . 29 ILE HB H 1.648 0.05 2
240 . 29 ILE HG12 H 1.491 0.05 2
241 . 29 ILE HG13 H 1.262 0.05 2
242 . 29 ILE H H 9.320 0.05 1
243 . 29 ILE N N 124.853 0.15 1
244 . 29 ILE HD1 H 0.880 0.05 1
245 . 29 ILE HG2 H 0.960 0.05 1
246 . 30 VAL C C 175.898 0.15 1
247 . 30 VAL CA C 61.190 0.15 1
248 . 30 VAL CB C 33.036 0.15 1
249 . 30 VAL CG1 C 21.375 0.15 1
250 . 30 VAL CG2 C 21.825 0.15 1
251 . 30 VAL HA H 4.928 0.05 2
252 . 30 VAL HB H 1.902 0.05 2
253 . 30 VAL H H 9.075 0.05 1
254 . 30 VAL N N 126.375 0.15 1
255 . 30 VAL HG1 H 0.792 0.05 2
256 . 30 VAL HG2 H 0.662 0.05 2
257 . 31 VAL C C 175.090 0.15 1
258 . 31 VAL CA C 58.705 0.15 1
259 . 31 VAL CB C 34.864 0.15 1
260 . 31 VAL CG1 C 21.069 0.15 1
261 . 31 VAL CG2 C 21.934 0.15 1
262 . 31 VAL HA H 5.255 0.05 2
263 . 31 VAL HB H 1.662 0.05 2
264 . 31 VAL H H 9.054 0.05 1
265 . 31 VAL N N 122.307 0.15 1
266 . 31 VAL HG1 H 0.985 0.05 2
267 . 31 VAL HG2 H 0.835 0.05 2
268 . 32 ASN C C 177.189 0.15 1
269 . 32 ASN CA C 51.442 0.15 1
270 . 32 ASN CB C 38.727 0.15 1
271 . 32 ASN HA H 5.218 0.05 2
272 . 32 ASN HB2 H 2.871 0.05 2
273 . 32 ASN HB3 H 4.000 0.05 2
274 . 32 ASN HD21 H 6.724 0.05 2
275 . 32 ASN HD22 H 7.875 0.05 2
276 . 32 ASN H H 8.314 0.05 1
277 . 32 ASN N N 120.297 0.15 1
278 . 32 ASN ND2 N 111.113 0.15 1
279 . 33 THR C C 175.484 0.15 1
280 . 33 THR CA C 65.875 0.15 1
281 . 33 THR CB C 68.800 0.15 1
282 . 33 THR CG2 C 22.165 0.15 1
283 . 33 THR HA H 4.114 0.05 2
284 . 33 THR HB H 4.410 0.05 2
285 . 33 THR H H 8.195 0.05 1
286 . 33 THR N N 111.066 0.15 1
287 . 33 THR HG2 H 1.348 0.05 1
288 . 34 GLU C C 176.022 0.15 1
289 . 34 GLU CA C 56.450 0.15 1
290 . 34 GLU CB C 29.772 0.15 1
291 . 34 GLU CG C 36.782 0.15 1
292 . 34 GLU HA H 4.405 0.05 2
293 . 34 GLU HB2 H 2.037 0.05 2
294 . 34 GLU HB3 H 2.276 0.05 2
295 . 34 GLU HG2 H 2.314 0.05 2
296 . 34 GLU H H 7.566 0.05 1
297 . 34 GLU N N 118.316 0.15 1
298 . 35 GLY C C 172.637 0.15 1
299 . 35 GLY CA C 44.924 0.15 1
300 . 35 GLY HA2 H 3.157 0.05 2
301 . 35 GLY HA3 H 3.653 0.05 2
302 . 35 GLY H H 8.081 0.05 1
303 . 35 GLY N N 106.748 0.15 1
304 . 36 ILE CA C 57.338 0.15 1
305 . 36 ILE CB C 38.229 0.15 1
306 . 36 ILE CD1 C 11.177 0.15 1
307 . 36 ILE CG1 C 27.454 0.15 1
308 . 36 ILE CG2 C 16.304 0.15 1
309 . 36 ILE HA H 4.318 0.05 2
310 . 36 ILE HB H 1.861 0.05 2
311 . 36 ILE HG12 H 1.267 0.05 2
312 . 36 ILE HG13 H 1.426 0.05 2
313 . 36 ILE H H 7.825 0.05 1
314 . 36 ILE N N 122.860 0.15 1
315 . 36 ILE HD1 H 0.786 0.05 1
316 . 36 ILE HG2 H 0.855 0.05 1
317 . 37 PRO C C 175.874 0.15 1
318 . 37 PRO CA C 62.445 0.15 1
319 . 37 PRO CB C 31.072 0.15 1
320 . 37 PRO HA H 4.784 0.05 2
321 . 37 PRO HB2 H 1.689 0.05 2
322 . 37 PRO HB3 H 1.908 0.05 2
323 . 38 ILE C C 176.091 0.15 1
324 . 38 ILE CA C 60.992 0.15 1
325 . 38 ILE CB C 38.954 0.15 1
326 . 38 ILE CD1 C 12.395 0.15 1
327 . 38 ILE CG1 C 26.685 0.15 1
328 . 38 ILE CG2 C 18.032 0.15 1
329 . 38 ILE HA H 4.190 0.05 2
330 . 38 ILE HB H 1.679 0.05 2
331 . 38 ILE HG12 H 1.247 0.05 2
332 . 38 ILE HG13 H 1.498 0.05 2
333 . 38 ILE H H 9.106 0.05 1
334 . 38 ILE N N 124.356 0.15 1
335 . 38 ILE HD1 H 0.678 0.05 1
336 . 38 ILE HG2 H 0.875 0.05 1
337 . 39 LYS C C 174.076 0.15 1
338 . 39 LYS CA C 55.749 0.15 1
339 . 39 LYS CB C 36.265 0.15 1
340 . 39 LYS CD C 29.097 0.15 1
341 . 39 LYS CE C 42.021 0.15 1
342 . 39 LYS CG C 25.419 0.15 1
343 . 39 LYS HA H 4.527 0.05 2
344 . 39 LYS HB2 H 1.480 0.05 2
345 . 39 LYS HB3 H 1.688 0.05 2
346 . 39 LYS HD2 H 1.622 0.05 2
347 . 39 LYS HE2 H 2.895 0.05 2
348 . 39 LYS HG2 H 1.280 0.05 2
349 . 39 LYS H H 7.492 0.05 1
350 . 39 LYS N N 118.660 0.15 1
351 . 40 SER C C 175.369 0.15 1
352 . 40 SER CA C 55.739 0.15 1
353 . 40 SER CB C 65.027 0.15 1
354 . 40 SER HA H 5.515 0.05 2
355 . 40 SER HB2 H 3.677 0.05 2
356 . 40 SER HB3 H 3.867 0.05 2
357 . 40 SER H H 8.684 0.05 1
358 . 40 SER N N 116.982 0.15 1
359 . 41 THR C C 174.351 0.15 1
360 . 41 THR CA C 61.812 0.15 1
361 . 41 THR CB C 68.617 0.15 1
362 . 41 THR CG2 C 21.787 0.15 1
363 . 41 THR HA H 4.685 0.05 2
364 . 41 THR HB H 4.347 0.05 2
365 . 41 THR HG1 H 6.276 0.05 2
366 . 41 THR H H 8.670 0.05 1
367 . 41 THR N N 115.879 0.15 1
368 . 41 THR HG2 H 1.255 0.05 1
369 . 42 MET C C 175.224 0.15 1
370 . 42 MET CA C 54.317 0.15 1
371 . 42 MET CB C 35.491 0.15 1
372 . 42 MET CE C 17.674 0.15 1
373 . 42 MET HA H 4.818 0.05 2
374 . 42 MET HB2 H 2.295 0.05 2
375 . 42 MET H H 8.616 0.05 1
376 . 42 MET N N 121.651 0.15 1
377 . 42 MET HE H 1.857 0.05 1
378 . 43 ASP C C 177.593 0.15 1
379 . 43 ASP CA C 53.713 0.15 1
380 . 43 ASP CB C 40.865 0.15 1
381 . 43 ASP HA H 4.535 0.05 2
382 . 43 ASP HB2 H 2.870 0.05 2
383 . 43 ASP HB3 H 3.211 0.05 2
384 . 43 ASP H H 8.606 0.05 1
385 . 43 ASP N N 118.777 0.15 1
386 . 44 ASN CA C 58.743 0.15 1
387 . 44 ASN CB C 36.385 0.15 1
388 . 44 ASN HA H 4.664 0.05 2
389 . 44 ASN HB2 H 2.995 0.05 2
390 . 44 ASN HB3 H 3.033 0.05 2
391 . 44 ASN HD21 H 7.057 0.05 2
392 . 44 ASN HD22 H 7.779 0.05 2
393 . 44 ASN H H 9.370 0.05 1
394 . 44 ASN N N 121.046 0.15 1
395 . 44 ASN ND2 N 113.188 0.15 1
396 . 45 PRO C C 179.811 0.15 1
397 . 45 PRO CA C 66.588 0.15 1
398 . 45 PRO CB C 30.856 0.15 1
399 . 45 PRO CD C 50.106 0.15 1
400 . 45 PRO HA H 4.368 0.05 2
401 . 45 PRO HB2 H 1.984 0.05 2
402 . 45 PRO HB3 H 2.365 0.05 2
403 . 45 PRO HD2 H 3.761 0.05 2
404 . 45 PRO HD3 H 4.018 0.05 2
405 . 46 THR C C 176.234 0.15 1
406 . 46 THR CA C 67.125 0.15 1
407 . 46 THR CB C 67.568 0.15 1
408 . 46 THR CG2 C 22.003 0.15 1
409 . 46 THR HA H 4.069 0.05 2
410 . 46 THR HB H 4.063 0.05 2
411 . 46 THR H H 8.126 0.05 1
412 . 46 THR N N 116.128 0.15 1
413 . 46 THR HG2 H 1.426 0.05 1
414 . 47 THR C C 175.594 0.15 1
415 . 47 THR CA C 67.643 0.15 1
416 . 47 THR CB C 68.594 0.15 1
417 . 47 THR HA H 4.644 0.05 2
418 . 47 THR HB H 3.805 0.05 2
419 . 47 THR H H 8.433 0.05 1
420 . 47 THR N N 119.012 0.15 1
421 . 47 THR HG2 H 1.273 0.05 1
422 . 48 THR C C 175.744 0.15 1
423 . 48 THR CA C 67.153 0.15 1
424 . 48 THR CB C 69.023 0.15 1
425 . 48 THR CG2 C 21.654 0.15 1
426 . 48 THR HA H 3.804 0.05 2
427 . 48 THR HB H 4.237 0.05 2
428 . 48 THR H H 8.432 0.05 1
429 . 48 THR N N 116.962 0.15 1
430 . 48 THR HG2 H 1.269 0.05 1
431 . 49 GLN C C 178.713 0.15 1
432 . 49 GLN CA C 59.323 0.15 1
433 . 49 GLN CB C 29.073 0.15 1
434 . 49 GLN CG C 33.690 0.15 1
435 . 49 GLN HA H 4.201 0.05 2
436 . 49 GLN HB2 H 2.168 0.05 2
437 . 49 GLN HG3 H 2.317 0.05 2
438 . 49 GLN H H 7.762 0.05 1
439 . 49 GLN N N 120.776 0.15 1
440 . 50 TYR C C 178.738 0.15 1
441 . 50 TYR CA C 63.489 0.15 1
442 . 50 TYR CB C 39.393 0.15 1
443 . 50 TYR HA H 4.031 0.05 2
444 . 50 TYR HB2 H 2.610 0.05 2
445 . 50 TYR HB3 H 3.026 0.05 2
446 . 50 TYR H H 8.467 0.05 1
447 . 50 TYR N N 116.452 0.15 1
448 . 50 TYR HD1 H 7.030 0.05 4
449 . 50 TYR HE1 H 6.609 0.05 4
450 . 51 ALA C C 178.978 0.15 1
451 . 51 ALA CA C 56.543 0.15 1
452 . 51 ALA CB C 18.279 0.15 1
453 . 51 ALA HA H 3.916 0.05 2
454 . 51 ALA H H 9.012 0.05 1
455 . 51 ALA N N 120.964 0.15 1
456 . 51 ALA HB H 1.534 0.05 1
457 . 52 ASN C C 178.243 0.15 1
458 . 52 ASN CA C 56.442 0.15 1
459 . 52 ASN CB C 38.727 0.15 1
460 . 52 ASN HA H 4.635 0.05 2
461 . 52 ASN HB2 H 2.885 0.05 2
462 . 52 ASN HB3 H 3.024 0.05 2
463 . 52 ASN H H 8.111 0.05 1
464 . 52 ASN N N 115.311 0.15 1
465 . 53 LEU C C 180.801 0.15 1
466 . 53 LEU CA C 57.801 0.15 1
467 . 53 LEU CB C 42.595 0.15 1
468 . 53 LEU CD1 C 23.684 0.15 1
469 . 53 LEU CD2 C 25.716 0.15 1
470 . 53 LEU HA H 4.228 0.05 2
471 . 53 LEU HB2 H 1.472 0.05 2
472 . 53 LEU HB3 H 1.756 0.05 2
473 . 53 LEU H H 8.143 0.05 1
474 . 53 LEU N N 118.763 0.15 1
475 . 53 LEU HD1 H 0.865 0.05 2
476 . 53 LEU HD2 H 0.774 0.05 2
477 . 54 MET C C 178.339 0.15 1
478 . 54 MET CA C 55.691 0.15 1
479 . 54 MET CB C 30.854 0.15 1
480 . 54 MET CE C 17.851 0.15 1
481 . 54 MET HA H 4.807 0.05 2
482 . 54 MET HB2 H 2.016 0.05 2
483 . 54 MET H H 8.957 0.05 1
484 . 54 MET N N 115.003 0.15 1
485 . 54 MET HE H 1.794 0.05 1
486 . 55 HIS C C 175.901 0.15 1
487 . 55 HIS CA C 59.935 0.15 1
488 . 55 HIS CB C 28.967 0.15 1
489 . 55 HIS HA H 4.247 0.05 2
490 . 55 HIS HB2 H 3.590 0.05 2
491 . 55 HIS HB3 H 3.465 0.05 2
492 . 55 HIS HD2 H 7.207 0.05 2
493 . 55 HIS H H 8.555 0.05 1
494 . 55 HIS N N 119.869 0.15 1
495 . 56 ASN C C 177.464 0.15 1
496 . 56 ASN CA C 56.375 0.15 1
497 . 56 ASN CB C 38.555 0.15 1
498 . 56 ASN HA H 4.283 0.05 2
499 . 56 ASN HB2 H 2.782 0.05 2
500 . 56 ASN HB3 H 2.922 0.05 2
501 . 56 ASN H H 7.734 0.05 1
502 . 56 ASN N N 114.906 0.15 1
503 . 57 PHE C C 177.006 0.15 1
504 . 57 PHE CA C 61.311 0.15 1
505 . 57 PHE CB C 39.849 0.15 1
506 . 57 PHE HA H 4.237 0.05 2
507 . 57 PHE HB2 H 3.041 0.05 2
508 . 57 PHE HB3 H 3.386 0.05 2
509 . 57 PHE H H 8.043 0.05 1
510 . 57 PHE N N 120.492 0.15 1
511 . 57 PHE HD1 H 7.031 0.05 4
512 . 57 PHE HE1 H 6.862 0.05 4
513 . 58 ILE C C 177.396 0.15 1
514 . 58 ILE CA C 65.191 0.15 1
515 . 58 ILE CB C 37.472 0.15 1
516 . 58 ILE CD1 C 13.603 0.15 1
517 . 58 ILE CG1 C 30.119 0.15 1
518 . 58 ILE CG2 C 16.979 0.15 1
519 . 58 ILE HA H 3.282 0.05 2
520 . 58 ILE HB H 1.630 0.05 2
521 . 58 ILE HG12 H 0.654 0.05 2
522 . 58 ILE HG13 H 1.720 0.05 2
523 . 58 ILE H H 8.843 0.05 1
524 . 58 ILE N N 119.735 0.15 1
525 . 58 ILE HD1 H 0.366 0.05 1
526 . 58 ILE HG2 H 0.261 0.05 1
527 . 59 LEU C C 180.323 0.15 1
528 . 59 LEU CA C 58.339 0.15 1
529 . 59 LEU CB C 41.257 0.15 1
530 . 59 LEU CD1 C 24.935 0.15 1
531 . 59 LEU CD2 C 22.990 0.15 1
532 . 59 LEU HA H 3.922 0.05 2
533 . 59 LEU HB2 H 1.483 0.05 2
534 . 59 LEU HB3 H 1.733 0.05 2
535 . 59 LEU H H 7.361 0.05 1
536 . 59 LEU N N 119.157 0.15 1
537 . 59 LEU HD1 H 0.689 0.05 2
538 . 59 LEU HD2 H 0.817 0.05 2
539 . 60 LYS C C 179.344 0.15 1
540 . 60 LYS CA C 57.467 0.15 1
541 . 60 LYS CB C 31.632 0.15 1
542 . 60 LYS CD C 28.310 0.15 1
543 . 60 LYS CE C 41.982 0.15 1
544 . 60 LYS CG C 24.926 0.15 1
545 . 60 LYS HA H 4.249 0.05 2
546 . 60 LYS HB2 H 1.925 0.05 2
547 . 60 LYS HD2 H 1.686 0.05 2
548 . 60 LYS HE2 H 2.936 0.05 2
549 . 60 LYS HG2 H 1.462 0.05 2
550 . 60 LYS H H 7.620 0.05 1
551 . 60 LYS N N 119.271 0.15 1
552 . 61 ALA C C 178.345 0.15 1
553 . 61 ALA CA C 55.478 0.15 1
554 . 61 ALA CB C 19.053 0.15 1
555 . 61 ALA HA H 3.601 0.05 2
556 . 61 ALA H H 8.809 0.05 1
557 . 61 ALA N N 125.140 0.15 1
558 . 61 ALA HB H 1.248 0.05 1
559 . 62 ARG C C 178.017 0.15 1
560 . 62 ARG CA C 60.547 0.15 1
561 . 62 ARG CB C 30.526 0.15 1
562 . 62 ARG CD C 44.171 0.15 1
563 . 62 ARG CG C 27.448 0.15 1
564 . 62 ARG HA H 3.807 0.05 2
565 . 62 ARG HB2 H 1.859 0.05 2
566 . 62 ARG HB3 H 2.006 0.05 2
567 . 62 ARG HD2 H 3.220 0.05 2
568 . 62 ARG HD3 H 3.259 0.05 2
569 . 62 ARG HE H 8.334 0.05 2
570 . 62 ARG HG2 H 1.695 0.05 2
571 . 62 ARG HG3 H 2.052 0.05 2
572 . 62 ARG H H 8.625 0.05 1
573 . 62 ARG N N 117.654 0.15 1
574 . 62 ARG NE N 84.894 0.15 1
575 . 63 SER C C 176.799 0.15 1
576 . 63 SER CA C 61.796 0.15 1
577 . 63 SER CB C 62.794 0.15 1
578 . 63 SER HA H 4.148 0.05 2
579 . 63 SER HB2 H 3.999 0.05 2
580 . 63 SER H H 8.087 0.05 1
581 . 63 SER N N 113.263 0.15 1
582 . 64 THR C C 175.152 0.15 1
583 . 64 THR CA C 67.679 0.15 1
584 . 64 THR CB C 68.476 0.15 1
585 . 64 THR CG2 C 20.672 0.15 1
586 . 64 THR HA H 3.850 0.05 2
587 . 64 THR H H 8.017 0.05 1
588 . 64 THR N N 119.025 0.15 1
589 . 64 THR HG2 H 0.864 0.05 1
590 . 65 VAL C C 178.552 0.15 1
591 . 65 VAL CA C 66.542 0.15 1
592 . 65 VAL CB C 31.527 0.15 1
593 . 65 VAL CG1 C 21.823 0.15 1
594 . 65 VAL CG2 C 21.198 0.15 1
595 . 65 VAL HA H 3.539 0.05 2
596 . 65 VAL HB H 2.174 0.05 2
597 . 65 VAL H H 7.700 0.05 1
598 . 65 VAL N N 116.741 0.15 1
599 . 65 VAL HG1 H 0.928 0.05 2
600 . 65 VAL HG2 H 0.800 0.05 2
601 . 66 ARG C C 177.560 0.15 1
602 . 66 ARG CA C 57.946 0.15 1
603 . 66 ARG CB C 30.367 0.15 1
604 . 66 ARG HA H 4.389 0.05 2
605 . 66 ARG HB2 H 1.788 0.05 2
606 . 66 ARG HB3 H 1.843 0.05 2
607 . 66 ARG HD2 H 3.211 0.05 2
608 . 66 ARG HE H 6.996 0.05 2
609 . 66 ARG H H 7.725 0.05 1
610 . 66 ARG N N 118.796 0.15 1
611 . 66 ARG NE N 84.642 0.15 1
612 . 67 GLU C C 178.346 0.15 1
613 . 67 GLU CA C 58.632 0.15 1
614 . 67 GLU CB C 29.338 0.15 1
615 . 67 GLU CG C 36.193 0.15 1
616 . 67 GLU HA H 3.981 0.05 2
617 . 67 GLU HB2 H 2.010 0.05 2
618 . 67 GLU HB3 H 2.188 0.05 2
619 . 67 GLU HG2 H 2.236 0.05 2
620 . 67 GLU HG3 H 2.416 0.05 2
621 . 67 GLU H H 7.876 0.05 1
622 . 67 GLU N N 119.725 0.15 1
623 . 68 ILE C C 176.413 0.15 1
624 . 68 ILE CA C 63.925 0.15 1
625 . 68 ILE CB C 38.694 0.15 1
626 . 68 ILE CD1 C 13.062 0.15 1
627 . 68 ILE CG1 C 28.967 0.15 1
628 . 68 ILE CG2 C 17.285 0.15 1
629 . 68 ILE HA H 3.593 0.05 2
630 . 68 ILE HB H 1.639 0.05 2
631 . 68 ILE HG12 H 0.517 0.05 2
632 . 68 ILE HG13 H 1.540 0.05 2
633 . 68 ILE H H 7.045 0.05 1
634 . 68 ILE N N 118.019 0.15 1
635 . 68 ILE HD1 H 0.343 0.05 1
636 . 68 ILE HG2 H 0.765 0.05 1
637 . 69 ASP CA C 51.424 0.15 1
638 . 69 ASP CB C 43.279 0.15 1
639 . 69 ASP HA H 4.938 0.05 2
640 . 69 ASP HB2 H 2.981 0.05 2
641 . 69 ASP HB3 H 2.717 0.05 2
642 . 69 ASP H H 7.315 0.05 1
643 . 69 ASP N N 116.157 0.15 1
644 . 70 PRO C C 177.922 0.15 1
645 . 70 PRO CA C 64.514 0.15 1
646 . 70 PRO CB C 32.365 0.15 1
647 . 70 PRO CD C 50.980 0.15 1
648 . 70 PRO CG C 27.397 0.15 1
649 . 70 PRO HA H 4.637 0.05 2
650 . 70 PRO HB2 H 2.440 0.05 2
651 . 70 PRO HB3 H 2.040 0.05 2
652 . 70 PRO HD2 H 3.658 0.05 2
653 . 70 PRO HD3 H 3.942 0.05 2
654 . 70 PRO HG3 H 2.056 0.05 2
655 . 71 GLN C C 175.517 0.15 1
656 . 71 GLN CA C 55.450 0.15 1
657 . 71 GLN CB C 28.795 0.15 1
658 . 71 GLN HA H 4.458 0.05 2
659 . 71 GLN HB2 H 1.954 0.05 2
660 . 71 GLN HB3 H 2.321 0.05 2
661 . 71 GLN HE21 H 6.715 0.05 2
662 . 71 GLN HE22 H 7.316 0.05 2
663 . 71 GLN HG2 H 2.025 0.05 2
664 . 71 GLN HG3 H 2.352 0.05 2
665 . 71 GLN H H 8.213 0.05 1
666 . 71 GLN N N 115.600 0.15 1
667 . 71 GLN NE2 N 110.498 0.15 1
668 . 72 ASN C C 172.932 0.15 1
669 . 72 ASN CA C 50.354 0.15 1
670 . 72 ASN CB C 40.744 0.15 1
671 . 72 ASN HA H 4.885 0.05 2
672 . 72 ASN HB2 H 2.739 0.05 2
673 . 72 ASN HB3 H 2.990 0.05 2
674 . 72 ASN HD21 H 7.683 0.05 2
675 . 72 ASN HD22 H 8.267 0.05 2
676 . 72 ASN H H 8.202 0.05 1
677 . 72 ASN N N 120.356 0.15 1
678 . 72 ASN ND2 N 111.354 0.15 1
679 . 73 ASP C C 174.669 0.15 1
680 . 73 ASP CA C 53.140 0.15 1
681 . 73 ASP CB C 44.104 0.15 1
682 . 73 ASP HA H 4.767 0.05 2
683 . 73 ASP HB2 H 2.510 0.05 2
684 . 73 ASP HB3 H 2.635 0.05 2
685 . 73 ASP H H 7.901 0.05 1
686 . 73 ASP N N 115.299 0.15 1
687 . 74 LEU C C 175.685 0.15 1
688 . 74 LEU CA C 55.604 0.15 1
689 . 74 LEU CB C 45.192 0.15 1
690 . 74 LEU CD1 C 25.579 0.15 1
691 . 74 LEU CD2 C 26.245 0.15 1
692 . 74 LEU HA H 4.201 0.05 2
693 . 74 LEU HB2 H 1.312 0.05 2
694 . 74 LEU HB3 H 1.809 0.05 2
695 . 74 LEU HG H 1.563 0.05 2
696 . 74 LEU H H 9.064 0.05 1
697 . 74 LEU N N 122.986 0.15 1
698 . 74 LEU HD1 H 0.933 0.05 2
699 . 74 LEU HD2 H 0.803 0.05 2
700 . 75 THR C C 174.805 0.15 1
701 . 75 THR CA C 63.178 0.15 1
702 . 75 THR CB C 69.532 0.15 1
703 . 75 THR CG2 C 22.605 0.15 1
704 . 75 THR HA H 4.597 0.05 2
705 . 75 THR HB H 4.085 0.05 2
706 . 75 THR H H 9.544 0.05 1
707 . 75 THR N N 119.226 0.15 1
708 . 75 THR HG2 H 1.175 0.05 1
709 . 76 PHE C C 172.933 0.15 1
710 . 76 PHE CA C 59.300 0.15 1
711 . 76 PHE CB C 42.528 0.15 1
712 . 76 PHE HA H 5.050 0.05 2
713 . 76 PHE HB2 H 3.111 0.05 2
714 . 76 PHE HB3 H 3.457 0.05 2
715 . 76 PHE H H 8.006 0.05 1
716 . 76 PHE N N 117.923 0.15 1
717 . 76 PHE HD1 H 7.266 0.05 4
718 . 77 LEU C C 174.009 0.15 1
719 . 77 LEU CA C 54.059 0.15 1
720 . 77 LEU CB C 47.138 0.15 1
721 . 77 LEU CD1 C 25.593 0.15 1
722 . 77 LEU CD2 C 26.716 0.15 1
723 . 77 LEU CG C 27.508 0.15 1
724 . 77 LEU HA H 5.394 0.05 2
725 . 77 LEU HB2 H 1.701 0.05 2
726 . 77 LEU HB3 H 1.664 0.05 2
727 . 77 LEU HG H 1.731 0.05 2
728 . 77 LEU H H 8.586 0.05 1
729 . 77 LEU N N 123.574 0.15 1
730 . 77 LEU HD1 H 0.934 0.05 2
731 . 77 LEU HD2 H 0.915 0.05 2
732 . 78 ARG C C 174.878 0.15 1
733 . 78 ARG CA C 55.368 0.15 1
734 . 78 ARG CB C 34.975 0.15 1
735 . 78 ARG CD C 43.775 0.15 1
736 . 78 ARG CG C 28.336 0.15 1
737 . 78 ARG HA H 5.524 0.05 2
738 . 78 ARG HB2 H 1.921 0.05 2
739 . 78 ARG HB3 H 2.010 0.05 2
740 . 78 ARG HD2 H 3.255 0.05 2
741 . 78 ARG HD3 H 3.447 0.05 2
742 . 78 ARG HE H 7.671 0.05 2
743 . 78 ARG HG2 H 1.788 0.05 2
744 . 78 ARG HG3 H 1.625 0.05 2
745 . 78 ARG H H 9.339 0.05 1
746 . 78 ARG N N 122.931 0.15 1
747 . 78 ARG NE N 83.819 0.15 1
748 . 78 ARG HH12 H 7.303 0.05 2
749 . 79 ILE C C 174.398 0.15 1
750 . 79 ILE CA C 60.406 0.15 1
751 . 79 ILE CB C 40.819 0.15 1
752 . 79 ILE CD1 C 14.684 0.15 1
753 . 79 ILE CG1 C 27.572 0.15 1
754 . 79 ILE CG2 C 17.649 0.15 1
755 . 79 ILE HA H 4.680 0.05 2
756 . 79 ILE HB H 1.918 0.05 2
757 . 79 ILE HG12 H 1.592 0.05 2
758 . 79 ILE HG13 H 0.911 0.05 2
759 . 79 ILE H H 9.640 0.05 1
760 . 79 ILE N N 124.975 0.15 1
761 . 79 ILE HD1 H 0.656 0.05 1
762 . 79 ILE HG2 H 0.796 0.05 1
763 . 80 ARG C C 173.926 0.15 1
764 . 80 ARG CA C 55.844 0.15 1
765 . 80 ARG CB C 32.192 0.15 1
766 . 80 ARG HA H 4.929 0.05 2
767 . 80 ARG HB2 H 1.666 0.05 2
768 . 80 ARG HD2 H 3.179 0.05 2
769 . 80 ARG HE H 7.451 0.05 2
770 . 80 ARG HG2 H 1.796 0.05 2
771 . 80 ARG H H 9.351 0.05 1
772 . 80 ARG N N 129.626 0.15 1
773 . 80 ARG NE N 84.657 0.15 1
774 . 80 ARG HH11 H 6.599 0.05 2
775 . 80 ARG HH12 H 6.724 0.05 2
776 . 81 SER C C 173.166 0.15 1
777 . 81 SER CA C 56.914 0.15 1
778 . 81 SER CB C 66.752 0.15 1
779 . 81 SER HA H 5.502 0.05 2
780 . 81 SER HB2 H 3.722 0.05 2
781 . 81 SER HG H 5.363 0.05 2
782 . 81 SER H H 9.290 0.05 1
783 . 81 SER N N 124.716 0.15 1
784 . 82 LYS C C 178.530 0.15 1
785 . 82 LYS CA C 59.323 0.15 1
786 . 82 LYS CB C 32.541 0.15 1
787 . 82 LYS CG C 25.606 0.15 1
788 . 82 LYS HA H 4.163 0.05 2
789 . 82 LYS HB2 H 2.054 0.05 2
790 . 82 LYS HB3 H 2.167 0.05 2
791 . 82 LYS HG2 H 1.487 0.05 2
792 . 82 LYS HG3 H 1.631 0.05 2
793 . 82 LYS H H 8.278 0.05 1
794 . 82 LYS N N 118.524 0.15 1
795 . 83 LYS C C 176.215 0.15 1
796 . 83 LYS CA C 56.839 0.15 1
797 . 83 LYS CB C 35.334 0.15 1
798 . 83 LYS CD C 29.195 0.15 1
799 . 83 LYS CE C 42.248 0.15 1
800 . 83 LYS CG C 25.557 0.15 1
801 . 83 LYS HA H 4.392 0.05 2
802 . 83 LYS HB2 H 1.493 0.05 2
803 . 83 LYS HB3 H 1.900 0.05 2
804 . 83 LYS HD2 H 1.565 0.05 2
805 . 83 LYS HE2 H 2.779 0.05 2
806 . 83 LYS HG2 H 1.295 0.05 2
807 . 83 LYS H H 7.931 0.05 1
808 . 83 LYS N N 113.307 0.15 1
809 . 84 ASN C C 172.737 0.15 1
810 . 84 ASN CA C 52.768 0.15 1
811 . 84 ASN CB C 39.575 0.15 1
812 . 84 ASN HA H 4.680 0.05 2
813 . 84 ASN HB2 H 2.763 0.05 2
814 . 84 ASN HB3 H 3.227 0.05 2
815 . 84 ASN HD21 H 6.468 0.05 2
816 . 84 ASN HD22 H 7.545 0.05 2
817 . 84 ASN H H 7.759 0.05 1
818 . 84 ASN N N 113.052 0.15 1
819 . 84 ASN ND2 N 111.968 0.15 1
820 . 85 GLU C C 173.813 0.15 1
821 . 85 GLU CA C 55.343 0.15 1
822 . 85 GLU CB C 33.793 0.15 1
823 . 85 GLU CG C 37.122 0.15 1
824 . 85 GLU HA H 5.284 0.05 2
825 . 85 GLU HB2 H 1.979 0.05 2
826 . 85 GLU HG2 H 2.142 0.05 2
827 . 85 GLU H H 9.065 0.05 1
828 . 85 GLU N N 118.444 0.15 1
829 . 86 ILE C C 174.953 0.15 1
830 . 86 ILE CA C 59.854 0.15 1
831 . 86 ILE CB C 41.409 0.15 1
832 . 86 ILE CD1 C 14.334 0.15 1
833 . 86 ILE CG1 C 26.853 0.15 1
834 . 86 ILE CG2 C 18.155 0.15 1
835 . 86 ILE HA H 5.080 0.05 2
836 . 86 ILE HB H 1.685 0.05 2
837 . 86 ILE HG12 H 1.252 0.05 2
838 . 86 ILE H H 9.066 0.05 1
839 . 86 ILE N N 124.730 0.15 1
840 . 86 ILE HD1 H 0.892 0.05 1
841 . 86 ILE HG2 H 0.836 0.05 1
842 . 87 MET C C 174.649 0.15 1
843 . 87 MET CA C 53.970 0.15 1
844 . 87 MET CB C 35.597 0.15 1
845 . 87 MET CE C 17.338 0.15 1
846 . 87 MET HA H 5.392 0.05 2
847 . 87 MET HB2 H 2.088 0.05 2
848 . 87 MET H H 9.477 0.05 1
849 . 87 MET N N 127.427 0.15 1
850 . 87 MET HE H 1.977 0.05 1
851 . 88 VAL C C 173.924 0.15 1
852 . 88 VAL CA C 60.483 0.15 1
853 . 88 VAL CB C 34.497 0.15 1
854 . 88 VAL CG2 C 21.620 0.15 1
855 . 88 VAL HA H 5.382 0.05 2
856 . 88 VAL HB H 2.001 0.05 2
857 . 88 VAL H H 8.989 0.05 1
858 . 88 VAL N N 122.916 0.15 1
859 . 88 VAL HG1 H 0.867 0.05 2
860 . 88 VAL HG2 H 0.901 0.05 2
861 . 89 ALA CA C 48.523 0.15 1
862 . 89 ALA CB C 21.924 0.15 1
863 . 89 ALA HA H 5.277 0.05 2
864 . 89 ALA H H 8.956 0.05 1
865 . 89 ALA N N 128.356 0.15 1
866 . 89 ALA HB H 1.559 0.05 1
867 . 90 PRO C C 176.009 0.15 1
868 . 90 PRO CA C 62.318 0.15 1
869 . 90 PRO CB C 32.449 0.15 1
870 . 90 PRO CD C 51.225 0.15 1
871 . 90 PRO HA H 4.603 0.05 2
872 . 90 PRO HB2 H 2.041 0.05 2
873 . 90 PRO HD2 H 3.636 0.05 2
874 . 90 PRO HD3 H 4.105 0.05 2
875 . 91 ASP C C 174.380 0.15 1
876 . 91 ASP CA C 53.408 0.15 1
877 . 91 ASP CB C 41.409 0.15 1
878 . 91 ASP HA H 4.632 0.05 2
879 . 91 ASP HB2 H 2.468 0.05 2
880 . 91 ASP H H 8.184 0.05 1
881 . 91 ASP N N 122.130 0.15 1
882 . 92 LYS C C 176.417 0.15 1
883 . 92 LYS CA C 58.519 0.15 1
884 . 92 LYS CB C 29.991 0.15 1
885 . 92 LYS CD C 28.980 0.15 1
886 . 92 LYS CE C 42.075 0.15 1
887 . 92 LYS CG C 24.850 0.15 1
888 . 92 LYS HA H 3.770 0.05 2
889 . 92 LYS HB2 H 1.964 0.05 2
890 . 92 LYS HB3 H 1.786 0.05 2
891 . 92 LYS HD2 H 1.669 0.05 2
892 . 92 LYS HE2 H 2.988 0.05 2
893 . 92 LYS HG2 H 1.439 0.05 2
894 . 92 LYS HG3 H 1.481 0.05 2
895 . 92 LYS H H 9.104 0.05 1
896 . 92 LYS N N 122.452 0.15 1
897 . 93 ASP C C 173.958 0.15 1
898 . 93 ASP CA C 54.251 0.15 1
899 . 93 ASP CB C 40.272 0.15 1
900 . 93 ASP HA H 4.627 0.05 2
901 . 93 ASP HB2 H 2.452 0.05 2
902 . 93 ASP HB3 H 2.677 0.05 2
903 . 93 ASP H H 8.186 0.05 2
904 . 93 ASP N N 120.469 0.15 1
905 . 94 TYR C C 175.258 0.15 1
906 . 94 TYR CA C 55.227 0.15 1
907 . 94 TYR CB C 40.926 0.15 1
908 . 94 TYR HA H 5.198 0.05 2
909 . 94 TYR HB2 H 3.098 0.05 2
910 . 94 TYR HB3 H 2.842 0.05 2
911 . 94 TYR H H 7.743 0.05 1
912 . 94 TYR N N 116.047 0.15 1
913 . 94 TYR HD1 H 6.833 0.05 4
914 . 95 PHE C C 173.403 0.15 1
915 . 95 PHE CA C 57.422 0.15 1
916 . 95 PHE CB C 41.658 0.15 1
917 . 95 PHE HA H 5.021 0.05 2
918 . 95 PHE HB2 H 2.715 0.05 2
919 . 95 PHE HB3 H 2.792 0.05 2
920 . 95 PHE H H 9.275 0.05 1
921 . 95 PHE N N 116.268 0.15 1
922 . 95 PHE HD1 H 6.908 0.05 4
923 . 96 LEU C C 175.001 0.15 1
924 . 96 LEU CA C 54.325 0.15 1
925 . 96 LEU CB C 43.583 0.15 1
926 . 96 LEU CD1 C 25.518 0.15 1
927 . 96 LEU CD2 C 25.476 0.15 1
928 . 96 LEU CG C 28.256 0.15 1
929 . 96 LEU HA H 4.947 0.05 2
930 . 96 LEU HB2 H 1.530 0.05 2
931 . 96 LEU HB3 H 1.857 0.05 2
932 . 96 LEU HG H 1.718 0.05 2
933 . 96 LEU H H 8.973 0.05 1
934 . 96 LEU N N 123.702 0.15 1
935 . 96 LEU HD1 H 0.872 0.05 2
936 . 96 LEU HD2 H 0.919 0.05 2
937 . 97 ILE C C 174.288 0.15 1
938 . 97 ILE CA C 60.554 0.15 1
939 . 97 ILE CB C 39.477 0.15 1
940 . 97 ILE CD1 C 15.077 0.15 1
941 . 97 ILE CG1 C 27.565 0.15 1
942 . 97 ILE CG2 C 17.678 0.15 1
943 . 97 ILE HA H 4.916 0.05 2
944 . 97 ILE HB H 2.043 0.05 2
945 . 97 ILE HG12 H 1.741 0.05 2
946 . 97 ILE H H 9.346 0.05 1
947 . 97 ILE N N 124.128 0.15 1
948 . 97 ILE HD1 H 0.841 0.05 1
949 . 97 ILE HG2 H 0.726 0.05 1
950 . 98 VAL C C 174.462 0.15 1
951 . 98 VAL CA C 61.182 0.15 1
952 . 98 VAL CB C 34.718 0.15 1
953 . 98 VAL CG1 C 21.775 0.15 1
954 . 98 VAL HA H 4.682 0.05 2
955 . 98 VAL HB H 2.076 0.05 2
956 . 98 VAL H H 9.371 0.05 1
957 . 98 VAL N N 126.870 0.15 1
958 . 98 VAL HG1 H 0.958 0.05 2
959 . 99 ILE C C 175.584 0.15 1
960 . 99 ILE CA C 60.893 0.15 1
961 . 99 ILE CB C 39.118 0.15 1
962 . 99 ILE CD1 C 14.268 0.15 1
963 . 99 ILE CG1 C 29.009 0.15 1
964 . 99 ILE CG2 C 18.812 0.15 1
965 . 99 ILE HA H 4.747 0.05 2
966 . 99 ILE HB H 1.489 0.05 2
967 . 99 ILE HG12 H 1.080 0.05 2
968 . 99 ILE HG13 H 0.767 0.05 2
969 . 99 ILE H H 8.716 0.05 1
970 . 99 ILE N N 127.615 0.15 1
971 . 99 ILE HD1 H 0.171 0.05 1
972 . 99 ILE HG2 H 0.745 0.05 1
973 . 100 GLN C C 174.195 0.15 1
974 . 100 GLN CA C 53.903 0.15 1
975 . 100 GLN CB C 33.749 0.15 1
976 . 100 GLN CG C 33.488 0.15 1
977 . 100 GLN HA H 5.294 0.05 2
978 . 100 GLN HB2 H 2.002 0.05 2
979 . 100 GLN HB3 H 2.116 0.05 2
980 . 100 GLN HE21 H 6.631 0.05 2
981 . 100 GLN HE22 H 7.309 0.05 2
982 . 100 GLN HG2 H 2.247 0.05 2
983 . 100 GLN HG3 H 2.382 0.05 2
984 . 100 GLN H H 9.585 0.05 1
985 . 100 GLN N N 125.914 0.15 1
986 . 100 GLN NE2 N 109.184 0.15 1
987 . 101 ASN CA C 51.416 0.15 1
988 . 101 ASN CB C 37.590 0.15 1
989 . 101 ASN HA H 4.965 0.05 2
990 . 101 ASN HB2 H 2.771 0.05 2
991 . 101 ASN HB3 H 2.985 0.05 2
992 . 101 ASN HD21 H 6.974 0.05 2
993 . 101 ASN HD22 H 7.694 0.05 2
994 . 101 ASN H H 8.805 0.05 1
995 . 101 ASN N N 120.943 0.15 1
996 . 101 ASN ND2 N 111.131 0.15 1
997 . 102 PRO C C 176.946 0.15 1
998 . 102 PRO CA C 63.458 0.15 1
999 . 102 PRO CB C 32.037 0.15 1
1000 . 102 PRO CD C 50.431 0.15 1
1001 . 102 PRO CG C 27.643 0.15 1
1002 . 102 PRO HA H 4.537 0.05 2
1003 . 102 PRO HB2 H 2.020 0.05 2
1004 . 102 PRO HB3 H 2.141 0.05 2
1005 . 102 PRO HD2 H 3.713 0.05 2
1006 . 102 PRO HD3 H 3.812 0.05 2
1007 . 102 PRO HG2 H 1.825 0.05 2
1008 . 103 THR C C 173.737 0.15 1
1009 . 103 THR CA C 61.962 0.15 1
1010 . 103 THR CB C 70.183 0.15 1
1011 . 103 THR CG2 C 21.754 0.15 1
1012 . 103 THR HA H 4.318 0.05 2
1013 . 103 THR HB H 4.270 0.05 2
1014 . 103 THR H H 8.334 0.05 1
1015 . 103 THR N N 115.399 0.15 1
1016 . 103 THR HG2 H 1.218 0.05 1
1017 . 104 GLU CA C 57.872 0.15 1
1018 . 104 GLU CB C 31.003 0.15 1
1019 . 104 GLU HA H 4.150 0.05 2
1020 . 104 GLU HB2 H 1.896 0.05 2
1021 . 104 GLU HB3 H 2.071 0.05 2
1022 . 104 GLU HG2 H 2.228 0.05 2
1023 . 104 GLU H H 7.942 0.05 1
1024 . 104 GLU N N 126.997 0.15 1
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