data_27281
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m23
;
_BMRB_accession_number 27281
_BMRB_flat_file_name bmr27281.str
_Entry_type original
_Submission_date 2017-10-11
_Accession_date 2017-10-11
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details
;
Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Mallis Robert J. .
2 Arthanari Haribabu . .
3 Reinherz Ellis L. .
4 Wagner Gerhard . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 209
"13C chemical shifts" 598
"15N chemical shifts" 209
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-11-14 original BMRB .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit'
27278 'T cell receptor N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)'
27279 'T cell receptor N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)'
27280 'T cell receptor N15 beta subunit C domain mutant m22 (Y50A/E51A/F128R/V144Q/L146Q)'
stop_
_Original_release_date 2015-07-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Pre-TCR ligand binding impacts thymocyte development before TCR expression.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 26056289
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Mallis Robert J. .
2 Bai Ke . .
3 Arthanari Haribabu . .
4 Hussey Rebecca E. .
5 Li Zhenhai . .
6 Chingozha Loice . .
7 Duke-Cohan Jonathan S. .
8 Lu Hang . .
9 Wang Jia-Huai . .
10 Zhu Cheng . .
11 Wagner Gerhard . .
12 Reinherz Ellis L. .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.'
_Journal_volume 112
_Journal_issue 27
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 8373
_Page_last 8378
_Year 2015
_Details .
loop_
_Keyword
'NMR spectroscopy'
'biomembrane force probe'
'pre T-cell receptor'
'repertoire selection'
'thymic development'
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_reference_citation
_Saveframe_category citation
_Citation_full .
_Citation_title
;
Backbone Resonance Assignment of N15, N30 and D10 T cell Receptor beta subunits
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 26275917
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Mallis Robert J. .
2 Reinherz Ellis L. .
3 Wagner Gerhard . .
4 Arthanari Haribabu . .
stop_
_Journal_abbreviation 'Biomol. NMR Assign.'
_Journal_name_full .
_Journal_volume 10
_Journal_issue 1
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 35
_Page_last 39
_Year 2016
_Details .
loop_
_Keyword
MHC
'NMR spectroscopy'
'T-cell Receptor (TCR)'
'biomembrane force probe'
immunology
'pre T-cell receptor'
'protein refolding'
'repertoire selection'
'thymic development'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'N15alphabetaTCR, pTalpha/N15beta'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)' $N15b-m23
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_N15b-m23
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common N15b-m23
_Molecular_mass 27221.50
_Mol_thiol_state 'all disulfide bound'
loop_
_Biological_function
'Beta subunit of PreTCR or TCR with mutations with ligand recognition loop.'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 240
_Mol_residue_sequence
;
MDSGVVQSPRHIIKEKGGRS
VLTCIPISGHSNVVWYQQTL
GKELKFLIAHAAKVERDKGF
LPSRFSVQQFDDYHSEMNMS
ALELEDSAMYFCASSLRWGD
EQYFGPGTRLTVLEDLRNVT
PPKVSLREPSKAEIANKQKA
TLQCQARGFFPDHVELSWWV
NGKEVHSGVSTDPQAYKESN
YSYSLSSRLRVSATFWHNPR
NHFRCQVQFHGLSEEDKWPE
GSPKPVTQNISAEAWGRADS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 MET 2 1 ASP 3 2 SER 4 3 GLY 5 4 VAL
6 5 VAL 7 6 GLN 8 7 SER 9 8 PRO 10 9 ARG
11 10 HIS 12 11 ILE 13 12 ILE 14 13 LYS 15 14 GLU
16 15 LYS 17 16 GLY 18 17 GLY 19 18 ARG 20 19 SER
21 20 VAL 22 21 LEU 23 22 THR 24 23 CYS 25 24 ILE
26 25 PRO 27 26 ILE 28 27 SER 29 28 GLY 30 29 HIS
31 30 SER 32 31 ASN 33 32 VAL 34 33 VAL 35 34 TRP
36 35 TYR 37 36 GLN 38 37 GLN 39 38 THR 40 39 LEU
41 40 GLY 42 41 LYS 43 42 GLU 44 43 LEU 45 44 LYS
46 45 PHE 47 46 LEU 48 47 ILE 49 48 ALA 50 49 HIS
51 50 ALA 52 51 ALA 53 52 LYS 54 53 VAL 55 54 GLU
56 55 ARG 57 56 ASP 58 57 LYS 59 58 GLY 60 59 PHE
61 60 LEU 62 61 PRO 63 62 SER 64 63 ARG 65 64 PHE
66 65 SER 67 66 VAL 68 67 GLN 69 68 GLN 70 69 PHE
71 70 ASP 72 71 ASP 73 72 TYR 74 73 HIS 75 74 SER
76 75 GLU 77 76 MET 78 77 ASN 79 78 MET 80 79 SER
81 80 ALA 82 81 LEU 83 82 GLU 84 83 LEU 85 84 GLU
86 85 ASP 87 86 SER 88 87 ALA 89 88 MET 90 89 TYR
91 90 PHE 92 91 CYS 93 92 ALA 94 93 SER 95 94 SER
96 95 LEU 97 96 ARG 98 97 TRP 99 98 GLY 100 99 ASP
101 100 GLU 102 101 GLN 103 102 TYR 104 103 PHE 105 104 GLY
106 105 PRO 107 106 GLY 108 107 THR 109 108 ARG 110 109 LEU
111 110 THR 112 111 VAL 113 112 LEU 114 113 GLU 115 114 ASP
116 115 LEU 117 116 ARG 118 117 ASN 119 118 VAL 120 119 THR
121 120 PRO 122 121 PRO 123 122 LYS 124 123 VAL 125 124 SER
126 125 LEU 127 126 ARG 128 127 GLU 129 128 PRO 130 129 SER
131 130 LYS 132 131 ALA 133 132 GLU 134 133 ILE 135 134 ALA
136 135 ASN 137 136 LYS 138 137 GLN 139 138 LYS 140 139 ALA
141 140 THR 142 141 LEU 143 142 GLN 144 143 CYS 145 144 GLN
146 145 ALA 147 146 ARG 148 147 GLY 149 148 PHE 150 149 PHE
151 150 PRO 152 151 ASP 153 152 HIS 154 153 VAL 155 154 GLU
156 155 LEU 157 156 SER 158 157 TRP 159 158 TRP 160 159 VAL
161 160 ASN 162 161 GLY 163 162 LYS 164 163 GLU 165 164 VAL
166 165 HIS 167 166 SER 168 167 GLY 169 168 VAL 170 169 SER
171 170 THR 172 171 ASP 173 172 PRO 174 173 GLN 175 174 ALA
176 175 TYR 177 176 LYS 178 177 GLU 179 178 SER 180 179 ASN
181 180 TYR 182 181 SER 183 182 TYR 184 183 SER 185 184 LEU
186 185 SER 187 186 SER 188 187 ARG 189 188 LEU 190 189 ARG
191 190 VAL 192 191 SER 193 192 ALA 194 193 THR 195 194 PHE
196 195 TRP 197 196 HIS 198 197 ASN 199 198 PRO 200 199 ARG
201 200 ASN 202 201 HIS 203 202 PHE 204 203 ARG 205 204 CYS
206 205 GLN 207 206 VAL 208 207 GLN 209 208 PHE 210 209 HIS
211 210 GLY 212 211 LEU 213 212 SER 214 213 GLU 215 214 GLU
216 215 ASP 217 216 LYS 218 217 TRP 219 218 PRO 220 219 GLU
221 220 GLY 222 221 SER 223 222 PRO 224 223 LYS 225 224 PRO
226 225 VAL 227 226 THR 228 227 GLN 229 228 ASN 230 229 ILE
231 230 SER 232 231 ALA 233 232 GLU 234 233 ALA 235 234 TRP
236 235 GLY 237 236 ARG 238 237 ALA 239 238 ASP 240 239 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$N15b-m23 'house mouse' 10090 Eukaryota Metazoa Mus musculus B6
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
$N15b-m23 'recombinant technology' . Escherichia coli BL21-DE3 pet11d
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
$N15b-m23 0.4 mM '[U-13C; U-15N; U-2H]'
'sodium chloride' 150 mM 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.90
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 750
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 250 . mM
pH 7 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_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
water C 13 protons ppm 4.7 internal indirect . . . .
water H 1 protons ppm 4.7 internal indirect . . . 1
water N 15 protons ppm 4.7 internal indirect . . . .
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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)'
_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 2 3 SER H H 8.286 0.020 1
2 2 3 SER C C 174.312 0.3 1
3 2 3 SER CA C 57.881 0.3 1
4 2 3 SER CB C 63.307 0.3 1
5 2 3 SER N N 116.582 0.3 1
6 3 4 GLY H H 8.071 0.020 1
7 3 4 GLY C C 172.787 0.3 1
8 3 4 GLY CA C 44.059 0.3 1
9 3 4 GLY N N 110.107 0.3 1
10 4 5 VAL H H 8.074 0.020 1
11 4 5 VAL C C 176.073 0.3 1
12 4 5 VAL CA C 62.940 0.3 1
13 4 5 VAL CB C 31.533 0.3 1
14 4 5 VAL N N 123.787 0.3 1
15 5 6 VAL H H 8.292 0.020 1
16 5 6 VAL C C 175.680 0.3 1
17 5 6 VAL CA C 60.693 0.3 1
18 5 6 VAL CB C 33.162 0.3 1
19 5 6 VAL N N 128.918 0.3 1
20 6 7 GLN H H 8.220 0.020 1
21 6 7 GLN C C 174.490 0.3 1
22 6 7 GLN CA C 54.588 0.3 1
23 6 7 GLN CB C 34.293 0.3 1
24 6 7 GLN N N 123.407 0.3 1
25 7 8 SER H H 8.189 0.020 1
26 7 8 SER C C 171.969 0.3 1
27 7 8 SER CA C 54.664 0.3 1
28 7 8 SER CB C 64.205 0.3 1
29 7 8 SER N N 115.746 0.3 1
30 10 11 HIS H H 7.717 0.020 1
31 10 11 HIS C C 174.297 0.3 1
32 10 11 HIS CA C 55.253 0.3 1
33 10 11 HIS CB C 33.539 0.3 1
34 10 11 HIS N N 118.604 0.3 1
35 11 12 ILE H H 8.885 0.020 1
36 11 12 ILE C C 172.979 0.3 1
37 11 12 ILE CA C 60.233 0.3 1
38 11 12 ILE CB C 40.913 0.3 1
39 11 12 ILE N N 121.405 0.3 1
40 12 13 ILE H H 8.111 0.020 1
41 12 13 ILE C C 175.271 0.3 1
42 12 13 ILE CA C 59.184 0.3 1
43 12 13 ILE CB C 39.121 0.3 1
44 12 13 ILE N N 127.904 0.3 1
45 13 14 LYS H H 8.310 0.020 1
46 13 14 LYS C C 173.987 0.3 1
47 13 14 LYS CA C 51.208 0.3 1
48 13 14 LYS CB C 36.708 0.3 1
49 13 14 LYS N N 124.324 0.3 1
50 14 15 GLU H H 8.939 0.020 1
51 14 15 GLU C C 175.590 0.3 1
52 14 15 GLU CA C 54.383 0.3 1
53 14 15 GLU CB C 30.380 0.3 1
54 14 15 GLU N N 122.344 0.3 1
55 15 16 LYS H H 7.903 0.020 1
56 15 16 LYS C C 176.738 0.3 1
57 15 16 LYS CA C 57.237 0.3 1
58 15 16 LYS CB C 31.545 0.3 1
59 15 16 LYS N N 123.473 0.3 1
60 16 17 GLY H H 10.008 0.020 1
61 16 17 GLY C C 175.174 0.3 1
62 16 17 GLY CA C 44.274 0.3 1
63 16 17 GLY N N 117.077 0.3 1
64 17 18 GLY H H 8.439 0.020 1
65 17 18 GLY C C 169.912 0.3 1
66 17 18 GLY CA C 44.131 0.3 1
67 17 18 GLY N N 109.757 0.3 1
68 18 19 ARG H H 7.985 0.020 1
69 18 19 ARG C C 175.294 0.3 1
70 18 19 ARG CA C 53.305 0.3 1
71 18 19 ARG CB C 32.781 0.3 1
72 18 19 ARG N N 114.730 0.3 1
73 19 20 SER H H 8.383 0.020 1
74 19 20 SER C C 172.331 0.3 1
75 19 20 SER CA C 57.054 0.3 1
76 19 20 SER CB C 65.806 0.3 1
77 19 20 SER N N 114.304 0.3 1
78 20 21 VAL H H 7.740 0.020 1
79 20 21 VAL C C 174.905 0.3 1
80 20 21 VAL CA C 60.673 0.3 1
81 20 21 VAL CB C 33.128 0.3 1
82 20 21 VAL N N 121.125 0.3 1
83 21 22 LEU H H 8.918 0.020 1
84 21 22 LEU C C 175.991 0.3 1
85 21 22 LEU CA C 54.114 0.3 1
86 21 22 LEU CB C 41.988 0.3 1
87 21 22 LEU N N 131.309 0.3 1
88 22 23 THR H H 9.021 0.020 1
89 22 23 THR C C 173.775 0.3 1
90 22 23 THR CA C 62.546 0.3 1
91 22 23 THR CB C 70.012 0.3 1
92 22 23 THR N N 116.471 0.3 1
93 23 24 CYS H H 9.324 0.020 1
94 23 24 CYS C C 172.790 0.3 1
95 23 24 CYS CA C 54.138 0.3 1
96 23 24 CYS CB C 44.391 0.3 1
97 23 24 CYS N N 126.984 0.3 1
98 24 25 ILE H H 9.498 0.020 1
99 24 25 ILE C C 173.618 0.3 1
100 24 25 ILE CA C 57.190 0.3 1
101 24 25 ILE CB C 37.311 0.3 1
102 24 25 ILE N N 131.161 0.3 1
103 26 27 ILE H H 6.582 0.020 1
104 26 27 ILE C C 175.763 0.3 1
105 26 27 ILE CA C 61.927 0.3 1
106 26 27 ILE CB C 35.808 0.3 1
107 26 27 ILE N N 122.162 0.3 1
108 27 28 SER H H 7.983 0.020 1
109 27 28 SER C C 175.822 0.3 1
110 27 28 SER CA C 59.716 0.3 1
111 27 28 SER CB C 61.872 0.3 1
112 27 28 SER N N 120.488 0.3 1
113 28 29 GLY H H 8.429 0.020 1
114 28 29 GLY C C 174.419 0.3 1
115 28 29 GLY CA C 44.337 0.3 1
116 28 29 GLY N N 116.016 0.3 1
117 29 30 HIS H H 8.645 0.020 1
118 29 30 HIS C C 175.982 0.3 1
119 29 30 HIS CA C 56.009 0.3 1
120 29 30 HIS CB C 31.418 0.3 1
121 29 30 HIS N N 121.664 0.3 1
122 30 31 SER H H 7.925 0.020 1
123 30 31 SER C C 173.734 0.3 1
124 30 31 SER CA C 57.106 0.3 1
125 30 31 SER CB C 64.348 0.3 1
126 30 31 SER N N 112.387 0.3 1
127 31 32 ASN H H 7.817 0.020 1
128 31 32 ASN C C 173.638 0.3 1
129 31 32 ASN CA C 52.078 0.3 1
130 31 32 ASN CB C 39.761 0.3 1
131 31 32 ASN N N 124.078 0.3 1
132 32 33 VAL H H 8.982 0.020 1
133 32 33 VAL C C 174.459 0.3 1
134 32 33 VAL CA C 61.430 0.3 1
135 32 33 VAL CB C 34.398 0.3 1
136 32 33 VAL N N 123.420 0.3 1
137 33 34 VAL H H 9.155 0.020 1
138 33 34 VAL CA C 59.891 0.3 1
139 33 34 VAL CB C 34.146 0.3 1
140 33 34 VAL N N 130.106 0.3 1
141 34 35 TRP H H 8.412 0.020 1
142 34 35 TRP C C 175.313 0.3 1
143 34 35 TRP CA C 55.623 0.3 1
144 34 35 TRP CB C 32.403 0.3 1
145 34 35 TRP N N 122.575 0.3 1
146 35 36 TYR H H 9.659 0.020 1
147 35 36 TYR C C 174.799 0.3 1
148 35 36 TYR CA C 56.421 0.3 1
149 35 36 TYR CB C 44.177 0.3 1
150 35 36 TYR N N 117.787 0.3 1
151 36 37 GLN H H 9.427 0.020 1
152 36 37 GLN C C 174.126 0.3 1
153 36 37 GLN CA C 53.346 0.3 1
154 36 37 GLN CB C 33.382 0.3 1
155 36 37 GLN N N 122.269 0.3 1
156 37 38 GLN H H 9.352 0.020 1
157 37 38 GLN C C 175.452 0.3 1
158 37 38 GLN CA C 54.606 0.3 1
159 37 38 GLN CB C 31.047 0.3 1
160 37 38 GLN N N 128.414 0.3 1
161 38 39 THR H H 9.029 0.020 1
162 38 39 THR C C 174.401 0.3 1
163 38 39 THR CA C 61.496 0.3 1
164 38 39 THR CB C 69.078 0.3 1
165 38 39 THR N N 125.352 0.3 1
166 39 40 LEU H H 8.434 0.020 1
167 39 40 LEU C C 178.221 0.3 1
168 39 40 LEU CA C 56.530 0.3 1
169 39 40 LEU CB C 40.217 0.3 1
170 39 40 LEU N N 124.298 0.3 1
171 40 41 GLY H H 8.570 0.020 1
172 40 41 GLY C C 174.063 0.3 1
173 40 41 GLY CA C 44.902 0.3 1
174 40 41 GLY N N 111.573 0.3 1
175 41 42 LYS H H 7.978 0.020 1
176 41 42 LYS C C 175.964 0.3 1
177 41 42 LYS CA C 54.447 0.3 1
178 41 42 LYS CB C 31.162 0.3 1
179 41 42 LYS N N 118.732 0.3 1
180 42 43 GLU H H 8.056 0.020 1
181 42 43 GLU C C 175.988 0.3 1
182 42 43 GLU CA C 55.401 0.3 1
183 42 43 GLU CB C 29.387 0.3 1
184 42 43 GLU N N 119.467 0.3 1
185 43 44 LEU H H 8.375 0.020 1
186 43 44 LEU C C 176.497 0.3 1
187 43 44 LEU CA C 55.041 0.3 1
188 43 44 LEU CB C 41.655 0.3 1
189 43 44 LEU N N 123.018 0.3 1
190 44 45 LYS H H 9.255 0.020 1
191 44 45 LYS C C 175.947 0.3 1
192 44 45 LYS CA C 54.729 0.3 1
193 44 45 LYS CB C 33.108 0.3 1
194 44 45 LYS N N 126.124 0.3 1
195 45 46 PHE H H 9.204 0.020 1
196 45 46 PHE C C 174.383 0.3 1
197 45 46 PHE CA C 58.392 0.3 1
198 45 46 PHE CB C 38.620 0.3 1
199 45 46 PHE N N 128.403 0.3 1
200 46 47 LEU H H 8.404 0.020 1
201 46 47 LEU C C 174.753 0.3 1
202 46 47 LEU CA C 55.451 0.3 1
203 46 47 LEU CB C 41.550 0.3 1
204 46 47 LEU N N 126.758 0.3 1
205 47 48 ILE H H 6.653 0.020 1
206 47 48 ILE C C 169.977 0.3 1
207 47 48 ILE CA C 60.632 0.3 1
208 47 48 ILE CB C 38.377 0.3 1
209 47 48 ILE N N 114.889 0.3 1
210 48 49 ALA H H 7.795 0.020 1
211 48 49 ALA C C 172.932 0.3 1
212 48 49 ALA CA C 50.282 0.3 1
213 48 49 ALA CB C 24.058 0.3 1
214 48 49 ALA N N 124.668 0.3 1
215 49 50 HIS H H 8.639 0.020 1
216 49 50 HIS CA C 56.509 0.3 1
217 49 50 HIS N N 119.639 0.3 1
218 50 51 ALA H H 8.675 0.020 1
219 50 51 ALA CA C 50.331 0.3 1
220 50 51 ALA CB C 19.862 0.3 1
221 50 51 ALA N N 122.288 0.3 1
222 51 52 ALA H H 8.439 0.020 1
223 51 52 ALA CA C 53.139 0.3 1
224 51 52 ALA CB C 16.369 0.3 1
225 51 52 ALA N N 128.599 0.3 1
226 56 57 ASP H H 7.428 0.020 1
227 56 57 ASP C C 173.831 0.3 1
228 56 57 ASP CA C 53.482 0.3 1
229 56 57 ASP CB C 41.550 0.3 1
230 56 57 ASP N N 116.178 0.3 1
231 57 58 LYS H H 8.391 0.020 1
232 57 58 LYS C C 175.174 0.3 1
233 57 58 LYS CA C 56.291 0.3 1
234 57 58 LYS CB C 33.467 0.3 1
235 57 58 LYS N N 121.975 0.3 1
236 58 59 GLY H H 7.882 0.020 1
237 58 59 GLY CA C 44.432 0.3 1
238 58 59 GLY N N 114.340 0.3 1
239 59 60 PHE H H 8.673 0.020 1
240 59 60 PHE CA C 57.320 0.3 1
241 59 60 PHE N N 124.708 0.3 1
242 60 61 LEU H H 7.291 0.020 1
243 60 61 LEU C C 174.185 0.3 1
244 60 61 LEU CA C 52.266 0.3 1
245 60 61 LEU CB C 41.870 0.3 1
246 60 61 LEU N N 123.522 0.3 1
247 63 64 ARG H H 6.545 0.020 1
248 63 64 ARG C C 175.733 0.3 1
249 63 64 ARG CA C 55.836 0.3 1
250 63 64 ARG CB C 28.330 0.3 1
251 63 64 ARG N N 115.554 0.3 1
252 64 65 PHE H H 8.027 0.020 1
253 64 65 PHE C C 173.777 0.3 1
254 64 65 PHE CA C 52.278 0.3 1
255 64 65 PHE CB C 38.020 0.3 1
256 64 65 PHE N N 122.366 0.3 1
257 65 66 SER H H 8.568 0.020 1
258 65 66 SER C C 172.800 0.3 1
259 65 66 SER CA C 56.422 0.3 1
260 65 66 SER CB C 64.348 0.3 1
261 65 66 SER N N 113.868 0.3 1
262 66 67 VAL H H 8.774 0.020 1
263 66 67 VAL CA C 59.926 0.3 1
264 66 67 VAL CB C 31.161 0.3 1
265 66 67 VAL N N 125.360 0.3 1
266 68 69 GLN H H 7.926 0.020 1
267 68 69 GLN C C 174.614 0.3 1
268 68 69 GLN CA C 53.149 0.3 1
269 68 69 GLN CB C 30.067 0.3 1
270 68 69 GLN N N 123.517 0.3 1
271 69 70 PHE H H 8.024 0.020 1
272 69 70 PHE C C 176.746 0.3 1
273 69 70 PHE CA C 57.520 0.3 1
274 69 70 PHE CB C 39.949 0.3 1
275 69 70 PHE N N 125.022 0.3 1
276 70 71 ASP H H 8.656 0.020 1
277 70 71 ASP C C 175.973 0.3 1
278 70 71 ASP CA C 56.895 0.3 1
279 70 71 ASP CB C 39.969 0.3 1
280 70 71 ASP N N 120.190 0.3 1
281 71 72 ASP H H 7.638 0.020 1
282 71 72 ASP C C 176.711 0.3 1
283 71 72 ASP CA C 52.621 0.3 1
284 71 72 ASP CB C 38.539 0.3 1
285 71 72 ASP N N 115.537 0.3 1
286 72 73 TYR H H 8.084 0.020 1
287 72 73 TYR C C 175.112 0.3 1
288 72 73 TYR CA C 58.203 0.3 1
289 72 73 TYR CB C 34.089 0.3 1
290 72 73 TYR N N 111.893 0.3 1
291 73 74 HIS H H 8.319 0.020 1
292 73 74 HIS C C 172.127 0.3 1
293 73 74 HIS CA C 55.655 0.3 1
294 73 74 HIS CB C 25.484 0.3 1
295 73 74 HIS N N 118.366 0.3 1
296 74 75 SER H H 8.911 0.020 1
297 74 75 SER C C 174.276 0.3 1
298 74 75 SER CA C 55.230 0.3 1
299 74 75 SER CB C 65.498 0.3 1
300 74 75 SER N N 115.479 0.3 1
301 75 76 GLU H H 8.793 0.020 1
302 75 76 GLU C C 174.614 0.3 1
303 75 76 GLU CA C 53.845 0.3 1
304 75 76 GLU CB C 32.012 0.3 1
305 75 76 GLU N N 124.792 0.3 1
306 76 77 MET H H 9.126 0.020 1
307 76 77 MET C C 173.221 0.3 1
308 76 77 MET CA C 53.238 0.3 1
309 76 77 MET CB C 33.199 0.3 1
310 76 77 MET N N 124.920 0.3 1
311 77 78 ASN H H 9.229 0.020 1
312 77 78 ASN C C 174.274 0.3 1
313 77 78 ASN CA C 52.296 0.3 1
314 77 78 ASN CB C 39.281 0.3 1
315 77 78 ASN N N 127.448 0.3 1
316 78 79 MET H H 8.715 0.020 1
317 78 79 MET C C 173.914 0.3 1
318 78 79 MET CA C 54.361 0.3 1
319 78 79 MET CB C 33.866 0.3 1
320 78 79 MET N N 124.505 0.3 1
321 79 80 SER H H 7.643 0.020 1
322 79 80 SER C C 170.936 0.3 1
323 79 80 SER CA C 56.542 0.3 1
324 79 80 SER CB C 65.498 0.3 1
325 79 80 SER N N 116.979 0.3 1
326 80 81 ALA H H 8.291 0.020 1
327 80 81 ALA C C 177.315 0.3 1
328 80 81 ALA CA C 51.343 0.3 1
329 80 81 ALA CB C 16.731 0.3 1
330 80 81 ALA N N 121.977 0.3 1
331 81 82 LEU H H 7.868 0.020 1
332 81 82 LEU C C 177.901 0.3 1
333 81 82 LEU CA C 56.068 0.3 1
334 81 82 LEU CB C 42.425 0.3 1
335 81 82 LEU N N 115.017 0.3 1
336 82 83 GLU H H 9.234 0.020 1
337 82 83 GLU C C 177.589 0.3 1
338 82 83 GLU CA C 53.135 0.3 1
339 82 83 GLU CB C 31.163 0.3 1
340 82 83 GLU N N 122.535 0.3 1
341 83 84 LEU H H 9.096 0.020 1
342 83 84 LEU C C 180.726 0.3 1
343 83 84 LEU CA C 58.739 0.3 1
344 83 84 LEU CB C 38.835 0.3 1
345 83 84 LEU N N 123.056 0.3 1
346 84 85 GLU H H 8.750 0.020 1
347 84 85 GLU C C 176.035 0.3 1
348 84 85 GLU CA C 57.636 0.3 1
349 84 85 GLU CB C 27.413 0.3 1
350 84 85 GLU N N 115.749 0.3 1
351 85 86 ASP H H 7.957 0.020 1
352 85 86 ASP C C 177.371 0.3 1
353 85 86 ASP CA C 54.899 0.3 1
354 85 86 ASP CB C 40.365 0.3 1
355 85 86 ASP N N 119.394 0.3 1
356 86 87 SER H H 7.652 0.020 1
357 86 87 SER CA C 59.928 0.3 1
358 86 87 SER CB C 62.725 0.3 1
359 86 87 SER N N 117.392 0.3 1
360 87 88 ALA H H 8.809 0.020 1
361 87 88 ALA C C 175.129 0.3 1
362 87 88 ALA CA C 51.398 0.3 1
363 87 88 ALA CB C 19.254 0.3 1
364 87 88 ALA N N 128.237 0.3 1
365 88 89 MET H H 7.622 0.020 1
366 88 89 MET C C 175.373 0.3 1
367 88 89 MET CA C 52.929 0.3 1
368 88 89 MET CB C 32.302 0.3 1
369 88 89 MET N N 115.629 0.3 1
370 89 90 TYR H H 8.980 0.020 1
371 89 90 TYR C C 176.572 0.3 1
372 89 90 TYR CA C 56.888 0.3 1
373 89 90 TYR CB C 39.652 0.3 1
374 89 90 TYR N N 121.982 0.3 1
375 90 91 PHE H H 9.259 0.020 1
376 90 91 PHE C C 173.235 0.3 1
377 90 91 PHE CA C 57.539 0.3 1
378 90 91 PHE CB C 42.990 0.3 1
379 90 91 PHE N N 123.247 0.3 1
380 93 94 SER H H 9.101 0.020 1
381 93 94 SER C C 172.926 0.3 1
382 93 94 SER CA C 56.060 0.3 1
383 93 94 SER CB C 68.433 0.3 1
384 93 94 SER N N 116.320 0.3 1
385 94 95 SER H H 8.454 0.020 1
386 94 95 SER C C 173.353 0.3 1
387 94 95 SER CA C 56.670 0.3 1
388 94 95 SER CB C 67.179 0.3 1
389 94 95 SER N N 112.963 0.3 1
390 95 96 LEU H H 8.727 0.020 1
391 95 96 LEU C C 177.333 0.3 1
392 95 96 LEU CA C 58.350 0.3 1
393 95 96 LEU CB C 40.672 0.3 1
394 95 96 LEU N N 123.156 0.3 1
395 96 97 ARG H H 7.443 0.020 1
396 96 97 ARG C C 176.391 0.3 1
397 96 97 ARG CA C 52.950 0.3 1
398 96 97 ARG CB C 31.710 0.3 1
399 96 97 ARG N N 114.763 0.3 1
400 97 98 TRP HE1 H 9.949 0.020 1
401 97 98 TRP NE1 N 129.609 0.3 1
402 98 99 GLY H H 7.808 0.020 1
403 98 99 GLY C C 173.939 0.3 1
404 98 99 GLY CA C 44.028 0.3 1
405 98 99 GLY N N 117.508 0.3 1
406 99 100 ASP H H 7.231 0.020 1
407 99 100 ASP C C 175.183 0.3 1
408 99 100 ASP CA C 52.921 0.3 1
409 99 100 ASP CB C 42.115 0.3 1
410 99 100 ASP N N 120.905 0.3 1
411 100 101 GLU H H 8.455 0.020 1
412 100 101 GLU C C 175.061 0.3 1
413 100 101 GLU CA C 56.776 0.3 1
414 100 101 GLU CB C 28.595 0.3 1
415 100 101 GLU N N 120.464 0.3 1
416 101 102 GLN H H 7.989 0.020 1
417 101 102 GLN C C 175.531 0.3 1
418 101 102 GLN CA C 54.231 0.3 1
419 101 102 GLN CB C 29.992 0.3 1
420 101 102 GLN N N 121.535 0.3 1
421 102 103 TYR H H 9.156 0.020 1
422 102 103 TYR C C 174.819 0.3 1
423 102 103 TYR CA C 56.577 0.3 1
424 102 103 TYR CB C 38.651 0.3 1
425 102 103 TYR N N 123.567 0.3 1
426 103 104 PHE H H 9.009 0.020 1
427 103 104 PHE C C 178.796 0.3 1
428 103 104 PHE CA C 58.755 0.3 1
429 103 104 PHE CB C 40.407 0.3 1
430 103 104 PHE N N 121.726 0.3 1
431 104 105 GLY H H 9.324 0.020 1
432 104 105 GLY C C 171.949 0.3 1
433 104 105 GLY CA C 43.812 0.3 1
434 104 105 GLY N N 109.582 0.3 1
435 106 107 GLY H H 7.098 0.020 1
436 106 107 GLY C C 171.969 0.3 1
437 106 107 GLY CA C 44.184 0.3 1
438 106 107 GLY N N 107.527 0.3 1
439 107 108 THR H H 8.045 0.020 1
440 107 108 THR C C 172.998 0.3 1
441 107 108 THR CA C 61.452 0.3 1
442 107 108 THR CB C 71.775 0.3 1
443 107 108 THR N N 118.744 0.3 1
444 108 109 ARG H H 8.070 0.020 1
445 108 109 ARG C C 172.837 0.3 1
446 108 109 ARG CA C 55.449 0.3 1
447 108 109 ARG CB C 29.696 0.3 1
448 108 109 ARG N N 129.207 0.3 1
449 109 110 LEU H H 8.566 0.020 1
450 109 110 LEU C C 176.373 0.3 1
451 109 110 LEU CA C 52.782 0.3 1
452 109 110 LEU CB C 44.133 0.3 1
453 109 110 LEU N N 130.913 0.3 1
454 110 111 THR H H 8.906 0.020 1
455 110 111 THR C C 171.505 0.3 1
456 110 111 THR CA C 62.750 0.3 1
457 110 111 THR CB C 68.437 0.3 1
458 110 111 THR N N 125.478 0.3 1
459 111 112 VAL H H 8.606 0.020 1
460 111 112 VAL C C 175.176 0.3 1
461 111 112 VAL CA C 59.375 0.3 1
462 111 112 VAL CB C 31.664 0.3 1
463 111 112 VAL N N 129.015 0.3 1
464 112 113 LEU H H 8.679 0.020 1
465 112 113 LEU C C 175.425 0.3 1
466 112 113 LEU CA C 57.404 0.3 1
467 112 113 LEU CB C 32.787 0.3 1
468 112 113 LEU N N 117.755 0.3 1
469 113 114 GLU H H 9.165 0.020 1
470 113 114 GLU C C 176.302 0.3 1
471 113 114 GLU CA C 58.962 0.3 1
472 113 114 GLU CB C 29.161 0.3 1
473 113 114 GLU N N 122.421 0.3 1
474 114 115 ASP H H 7.711 0.020 1
475 114 115 ASP C C 176.732 0.3 1
476 114 115 ASP CA C 52.158 0.3 1
477 114 115 ASP CB C 42.230 0.3 1
478 114 115 ASP N N 115.859 0.3 1
479 115 116 LEU H H 9.531 0.020 1
480 115 116 LEU C C 178.021 0.3 1
481 115 116 LEU CA C 56.959 0.3 1
482 115 116 LEU CB C 41.172 0.3 1
483 115 116 LEU N N 128.476 0.3 1
484 116 117 ARG H H 8.463 0.020 1
485 116 117 ARG C C 177.359 0.3 1
486 116 117 ARG CA C 57.340 0.3 1
487 116 117 ARG CB C 28.027 0.3 1
488 116 117 ARG N N 113.895 0.3 1
489 117 118 ASN H H 7.679 0.020 1
490 117 118 ASN C C 176.082 0.3 1
491 117 118 ASN CA C 53.907 0.3 1
492 117 118 ASN CB C 38.852 0.3 1
493 117 118 ASN N N 113.490 0.3 1
494 118 119 VAL H H 8.130 0.020 1
495 118 119 VAL C C 174.987 0.3 1
496 118 119 VAL CA C 64.049 0.3 1
497 118 119 VAL CB C 29.794 0.3 1
498 118 119 VAL N N 123.726 0.3 1
499 119 120 THR H H 9.397 0.020 1
500 119 120 THR C C 169.970 0.3 1
501 119 120 THR CA C 58.644 0.3 1
502 119 120 THR CB C 72.410 0.3 1
503 119 120 THR N N 123.399 0.3 1
504 122 123 LYS H H 8.538 0.020 1
505 122 123 LYS C C 176.746 0.3 1
506 122 123 LYS CA C 55.221 0.3 1
507 122 123 LYS CB C 31.681 0.3 1
508 122 123 LYS N N 119.017 0.3 1
509 123 124 VAL H H 8.697 0.020 1
510 123 124 VAL C C 174.240 0.3 1
511 123 124 VAL CA C 60.806 0.3 1
512 123 124 VAL CB C 33.178 0.3 1
513 123 124 VAL N N 126.101 0.3 1
514 124 125 SER H H 8.768 0.020 1
515 124 125 SER C C 171.327 0.3 1
516 124 125 SER CA C 56.100 0.3 1
517 124 125 SER CB C 65.550 0.3 1
518 124 125 SER N N 120.854 0.3 1
519 125 126 LEU H H 8.651 0.020 1
520 125 126 LEU C C 175.556 0.3 1
521 125 126 LEU CA C 52.953 0.3 1
522 125 126 LEU CB C 44.251 0.3 1
523 125 126 LEU N N 123.838 0.3 1
524 126 127 ARG H H 9.114 0.020 1
525 126 127 ARG C C 175.360 0.3 1
526 126 127 ARG CA C 54.229 0.3 1
527 126 127 ARG CB C 30.977 0.3 1
528 126 127 ARG N N 126.238 0.3 1
529 127 128 GLU H H 8.607 0.020 1
530 127 128 GLU C C 173.218 0.3 1
531 127 128 GLU CA C 54.356 0.3 1
532 127 128 GLU CB C 27.522 0.3 1
533 127 128 GLU N N 125.409 0.3 1
534 129 130 SER H H 8.540 0.020 1
535 129 130 SER C C 175.264 0.3 1
536 129 130 SER CA C 56.317 0.3 1
537 129 130 SER CB C 63.836 0.3 1
538 129 130 SER N N 118.546 0.3 1
539 130 131 LYS H H 8.747 0.020 1
540 130 131 LYS C C 179.091 0.3 1
541 130 131 LYS CA C 59.038 0.3 1
542 130 131 LYS CB C 30.974 0.3 1
543 130 131 LYS N N 124.727 0.3 1
544 131 132 ALA H H 8.204 0.020 1
545 131 132 ALA C C 179.589 0.3 1
546 131 132 ALA CA C 53.974 0.3 1
547 131 132 ALA CB C 17.309 0.3 1
548 131 132 ALA N N 120.948 0.3 1
549 132 133 GLU H H 7.452 0.020 1
550 132 133 GLU C C 179.003 0.3 1
551 132 133 GLU CA C 58.335 0.3 1
552 132 133 GLU CB C 28.667 0.3 1
553 132 133 GLU N N 119.146 0.3 1
554 133 134 ILE H H 7.584 0.020 1
555 133 134 ILE C C 178.290 0.3 1
556 133 134 ILE CA C 63.222 0.3 1
557 133 134 ILE CB C 37.137 0.3 1
558 133 134 ILE N N 119.344 0.3 1
559 134 135 ALA H H 7.846 0.020 1
560 134 135 ALA C C 178.754 0.3 1
561 134 135 ALA CA C 53.792 0.3 1
562 134 135 ALA CB C 17.432 0.3 1
563 134 135 ALA N N 122.078 0.3 1
564 135 136 ASN H H 8.034 0.020 1
565 135 136 ASN C C 176.070 0.3 1
566 135 136 ASN CA C 54.129 0.3 1
567 135 136 ASN CB C 38.301 0.3 1
568 135 136 ASN N N 114.072 0.3 1
569 138 139 LYS H H 7.536 0.020 1
570 138 139 LYS C C 172.721 0.3 1
571 138 139 LYS CA C 54.066 0.3 1
572 138 139 LYS CB C 34.705 0.3 1
573 138 139 LYS N N 118.625 0.3 1
574 139 140 ALA H H 8.624 0.020 1
575 139 140 ALA C C 174.759 0.3 1
576 139 140 ALA CA C 49.717 0.3 1
577 139 140 ALA CB C 20.694 0.3 1
578 139 140 ALA N N 122.664 0.3 1
579 140 141 THR H H 8.656 0.020 1
580 140 141 THR C C 174.334 0.3 1
581 140 141 THR CA C 61.060 0.3 1
582 140 141 THR CB C 67.613 0.3 1
583 140 141 THR N N 119.335 0.3 1
584 141 142 LEU H H 8.838 0.020 1
585 141 142 LEU C C 175.373 0.3 1
586 141 142 LEU CA C 54.479 0.3 1
587 141 142 LEU CB C 42.608 0.3 1
588 141 142 LEU N N 129.477 0.3 1
589 142 143 GLN H H 7.943 0.020 1
590 142 143 GLN C C 173.939 0.3 1
591 142 143 GLN CA C 53.748 0.3 1
592 142 143 GLN CB C 30.823 0.3 1
593 142 143 GLN N N 118.945 0.3 1
594 143 144 CYS H H 9.693 0.020 1
595 143 144 CYS C C 172.215 0.3 1
596 143 144 CYS CA C 52.563 0.3 1
597 143 144 CYS CB C 42.693 0.3 1
598 143 144 CYS N N 126.238 0.3 1
599 144 145 GLN H H 8.860 0.020 1
600 144 145 GLN C C 173.210 0.3 1
601 144 145 GLN CA C 54.034 0.3 1
602 144 145 GLN CB C 31.049 0.3 1
603 144 145 GLN N N 125.067 0.3 1
604 145 146 ALA H H 9.163 0.020 1
605 145 146 ALA C C 175.929 0.3 1
606 145 146 ALA CA C 48.692 0.3 1
607 145 146 ALA CB C 20.020 0.3 1
608 145 146 ALA N N 128.490 0.3 1
609 146 147 ARG H H 9.198 0.020 1
610 146 147 ARG C C 176.075 0.3 1
611 146 147 ARG CA C 54.781 0.3 1
612 146 147 ARG CB C 32.711 0.3 1
613 146 147 ARG N N 120.773 0.3 1
614 147 148 GLY H H 8.097 0.020 1
615 147 148 GLY C C 174.099 0.3 1
616 147 148 GLY CA C 46.019 0.3 1
617 147 148 GLY N N 110.234 0.3 1
618 148 149 PHE H H 7.318 0.020 1
619 148 149 PHE C C 174.106 0.3 1
620 148 149 PHE CA C 53.112 0.3 1
621 148 149 PHE CB C 40.794 0.3 1
622 148 149 PHE N N 112.402 0.3 1
623 149 150 PHE H H 9.204 0.020 1
624 149 150 PHE C C 174.423 0.3 1
625 149 150 PHE CA C 57.506 0.3 1
626 149 150 PHE CB C 41.877 0.3 1
627 149 150 PHE N N 120.046 0.3 1
628 151 152 ASP H H 8.268 0.020 1
629 151 152 ASP C C 175.520 0.3 1
630 151 152 ASP CA C 53.376 0.3 1
631 151 152 ASP CB C 36.333 0.3 1
632 151 152 ASP N N 114.798 0.3 1
633 152 153 HIS H H 7.815 0.020 1
634 152 153 HIS C C 173.584 0.3 1
635 152 153 HIS CA C 53.324 0.3 1
636 152 153 HIS CB C 27.450 0.3 1
637 152 153 HIS N N 124.357 0.3 1
638 153 154 VAL H H 7.315 0.020 1
639 153 154 VAL C C 175.556 0.3 1
640 153 154 VAL CA C 57.753 0.3 1
641 153 154 VAL CB C 34.756 0.3 1
642 153 154 VAL N N 113.419 0.3 1
643 154 155 GLU H H 8.201 0.020 1
644 154 155 GLU C C 174.312 0.3 1
645 154 155 GLU CA C 54.824 0.3 1
646 154 155 GLU CB C 32.383 0.3 1
647 154 155 GLU N N 120.506 0.3 1
648 155 156 LEU H H 9.210 0.020 1
649 155 156 LEU C C 175.531 0.3 1
650 155 156 LEU CA C 54.422 0.3 1
651 155 156 LEU CB C 44.251 0.3 1
652 155 156 LEU N N 131.353 0.3 1
653 156 157 SER H H 9.664 0.020 1
654 156 157 SER C C 171.380 0.3 1
655 156 157 SER CA C 56.370 0.3 1
656 156 157 SER CB C 66.060 0.3 1
657 156 157 SER N N 122.167 0.3 1
658 157 158 TRP H H 8.813 0.020 1
659 157 158 TRP C C 175.165 0.3 1
660 157 158 TRP CA C 56.081 0.3 1
661 157 158 TRP CB C 32.160 0.3 1
662 157 158 TRP N N 120.602 0.3 1
663 158 159 TRP H H 9.346 0.020 1
664 158 159 TRP C C 176.758 0.3 1
665 158 159 TRP CA C 54.832 0.3 1
666 158 159 TRP CB C 29.490 0.3 1
667 158 159 TRP N N 120.964 0.3 1
668 159 160 VAL H H 9.194 0.020 1
669 159 160 VAL C C 176.422 0.3 1
670 159 160 VAL CA C 59.894 0.3 1
671 159 160 VAL CB C 32.234 0.3 1
672 159 160 VAL N N 126.872 0.3 1
673 160 161 ASN H H 9.689 0.020 1
674 160 161 ASN C C 175.858 0.3 1
675 160 161 ASN CA C 54.166 0.3 1
676 160 161 ASN CB C 36.091 0.3 1
677 160 161 ASN N N 128.739 0.3 1
678 161 162 GLY H H 8.870 0.020 1
679 161 162 GLY C C 173.672 0.3 1
680 161 162 GLY CA C 44.992 0.3 1
681 161 162 GLY N N 102.340 0.3 1
682 162 163 LYS H H 7.720 0.020 1
683 162 163 LYS C C 174.134 0.3 1
684 162 163 LYS CA C 53.836 0.3 1
685 162 163 LYS CB C 33.866 0.3 1
686 162 163 LYS N N 121.157 0.3 1
687 163 164 GLU H H 8.052 0.020 1
688 163 164 GLU C C 176.799 0.3 1
689 163 164 GLU CA C 55.852 0.3 1
690 163 164 GLU CB C 27.413 0.3 1
691 163 164 GLU N N 127.841 0.3 1
692 164 165 VAL H H 7.957 0.020 1
693 164 165 VAL C C 173.726 0.3 1
694 164 165 VAL CA C 59.693 0.3 1
695 164 165 VAL CB C 33.666 0.3 1
696 164 165 VAL N N 122.636 0.3 1
697 167 168 GLY H H 8.715 0.020 1
698 167 168 GLY CA C 45.100 0.3 1
699 167 168 GLY N N 112.780 0.3 1
700 168 169 VAL H H 7.188 0.020 1
701 168 169 VAL C C 176.758 0.3 1
702 168 169 VAL CA C 61.053 0.3 1
703 168 169 VAL CB C 32.457 0.3 1
704 168 169 VAL N N 121.216 0.3 1
705 169 170 SER H H 8.970 0.020 1
706 169 170 SER C C 173.275 0.3 1
707 169 170 SER CA C 56.259 0.3 1
708 169 170 SER CB C 63.241 0.3 1
709 169 170 SER N N 123.268 0.3 1
710 170 171 THR H H 9.157 0.020 1
711 170 171 THR C C 173.601 0.3 1
712 170 171 THR CA C 60.620 0.3 1
713 170 171 THR CB C 69.330 0.3 1
714 170 171 THR N N 127.376 0.3 1
715 171 172 ASP H H 8.419 0.020 1
716 171 172 ASP C C 174.403 0.3 1
717 171 172 ASP CA C 53.448 0.3 1
718 171 172 ASP CB C 39.593 0.3 1
719 171 172 ASP N N 130.204 0.3 1
720 173 174 GLN H H 7.221 0.020 1
721 173 174 GLN C C 174.063 0.3 1
722 173 174 GLN CA C 53.448 0.3 1
723 173 174 GLN CB C 30.930 0.3 1
724 173 174 GLN N N 112.663 0.3 1
725 174 175 ALA H H 8.950 0.020 1
726 174 175 ALA C C 176.533 0.3 1
727 174 175 ALA CA C 51.747 0.3 1
728 174 175 ALA CB C 18.735 0.3 1
729 174 175 ALA N N 125.044 0.3 1
730 175 176 TYR H H 9.231 0.020 1
731 175 176 TYR C C 174.667 0.3 1
732 175 176 TYR CA C 56.100 0.3 1
733 175 176 TYR CB C 39.359 0.3 1
734 175 176 TYR N N 123.808 0.3 1
735 176 177 LYS H H 8.330 0.020 1
736 176 177 LYS C C 175.360 0.3 1
737 176 177 LYS CA C 55.967 0.3 1
738 176 177 LYS CB C 30.676 0.3 1
739 176 177 LYS N N 126.888 0.3 1
740 177 178 GLU H H 8.266 0.020 1
741 177 178 GLU C C 176.373 0.3 1
742 177 178 GLU CA C 56.884 0.3 1
743 177 178 GLU CB C 29.668 0.3 1
744 177 178 GLU N N 128.019 0.3 1
745 178 179 SER H H 7.952 0.020 1
746 178 179 SER C C 173.676 0.3 1
747 178 179 SER CA C 56.635 0.3 1
748 178 179 SER CB C 62.592 0.3 1
749 178 179 SER N N 112.178 0.3 1
750 180 181 TYR H H 7.703 0.020 1
751 180 181 TYR C C 174.081 0.3 1
752 180 181 TYR CA C 54.371 0.3 1
753 180 181 TYR CB C 36.715 0.3 1
754 180 181 TYR N N 113.086 0.3 1
755 181 182 SER H H 6.703 0.020 1
756 181 182 SER C C 172.180 0.3 1
757 181 182 SER CA C 58.114 0.3 1
758 181 182 SER CB C 63.834 0.3 1
759 181 182 SER N N 111.889 0.3 1
760 182 183 TYR H H 8.640 0.020 1
761 182 183 TYR C C 173.868 0.3 1
762 182 183 TYR CA C 56.578 0.3 1
763 182 183 TYR CB C 42.003 0.3 1
764 182 183 TYR N N 125.775 0.3 1
765 183 184 SER H H 8.893 0.020 1
766 183 184 SER C C 172.731 0.3 1
767 183 184 SER CA C 56.196 0.3 1
768 183 184 SER CB C 66.102 0.3 1
769 183 184 SER N N 110.806 0.3 1
770 184 185 LEU H H 9.247 0.020 1
771 184 185 LEU C C 174.241 0.3 1
772 184 185 LEU CA C 55.276 0.3 1
773 184 185 LEU CB C 46.693 0.3 1
774 184 185 LEU N N 123.671 0.3 1
775 185 186 SER H H 8.364 0.020 1
776 185 186 SER C C 172.180 0.3 1
777 185 186 SER CA C 56.452 0.3 1
778 185 186 SER CB C 66.178 0.3 1
779 185 186 SER N N 120.955 0.3 1
780 186 187 SER H H 8.762 0.020 1
781 186 187 SER C C 172.784 0.3 1
782 186 187 SER CA C 56.169 0.3 1
783 186 187 SER CB C 63.886 0.3 1
784 186 187 SER N N 113.301 0.3 1
785 187 188 ARG H H 8.741 0.020 1
786 187 188 ARG C C 172.997 0.3 1
787 187 188 ARG CA C 54.225 0.3 1
788 187 188 ARG CB C 32.107 0.3 1
789 187 188 ARG N N 128.029 0.3 1
790 188 189 LEU H H 7.997 0.020 1
791 188 189 LEU C C 173.619 0.3 1
792 188 189 LEU CA C 52.412 0.3 1
793 188 189 LEU CB C 40.039 0.3 1
794 188 189 LEU N N 123.520 0.3 1
795 189 190 ARG H H 8.250 0.020 1
796 189 190 ARG C C 175.627 0.3 1
797 189 190 ARG CA C 54.129 0.3 1
798 189 190 ARG CB C 30.596 0.3 1
799 189 190 ARG N N 127.663 0.3 1
800 190 191 VAL H H 8.629 0.020 1
801 190 191 VAL C C 174.579 0.3 1
802 190 191 VAL CA C 57.801 0.3 1
803 190 191 VAL CB C 34.826 0.3 1
804 190 191 VAL N N 119.104 0.3 1
805 191 192 SER H H 8.645 0.020 1
806 191 192 SER C C 175.574 0.3 1
807 191 192 SER CA C 57.991 0.3 1
808 191 192 SER CB C 62.929 0.3 1
809 191 192 SER N N 116.602 0.3 1
810 192 193 ALA H H 8.308 0.020 1
811 192 193 ALA C C 178.487 0.3 1
812 192 193 ALA CA C 55.401 0.3 1
813 192 193 ALA CB C 16.928 0.3 1
814 192 193 ALA N N 126.464 0.3 1
815 193 194 THR H H 7.941 0.020 1
816 193 194 THR C C 175.645 0.3 1
817 193 194 THR CA C 64.653 0.3 1
818 193 194 THR CB C 67.915 0.3 1
819 193 194 THR N N 108.502 0.3 1
820 194 195 PHE H H 7.631 0.020 1
821 194 195 PHE C C 178.256 0.3 1
822 194 195 PHE CA C 60.742 0.3 1
823 194 195 PHE CB C 39.812 0.3 1
824 194 195 PHE N N 124.611 0.3 1
825 195 196 TRP H H 7.746 0.020 1
826 195 196 TRP C C 173.986 0.3 1
827 195 196 TRP CA C 58.381 0.3 1
828 195 196 TRP CB C 29.161 0.3 1
829 195 196 TRP N N 119.288 0.3 1
830 196 197 HIS H H 7.546 0.020 1
831 196 197 HIS C C 174.099 0.3 1
832 196 197 HIS CA C 53.907 0.3 1
833 196 197 HIS CB C 27.650 0.3 1
834 196 197 HIS N N 111.836 0.3 1
835 197 198 ASN H H 6.844 0.020 1
836 197 198 ASN C C 174.146 0.3 1
837 197 198 ASN CA C 49.021 0.3 1
838 197 198 ASN CB C 38.135 0.3 1
839 197 198 ASN N N 118.364 0.3 1
840 199 200 ARG H H 7.590 0.020 1
841 199 200 ARG C C 176.817 0.3 1
842 199 200 ARG CA C 55.473 0.3 1
843 199 200 ARG CB C 28.529 0.3 1
844 199 200 ARG N N 115.105 0.3 1
845 200 201 ASN H H 7.629 0.020 1
846 200 201 ASN C C 171.925 0.3 1
847 200 201 ASN CA C 51.950 0.3 1
848 200 201 ASN CB C 37.745 0.3 1
849 200 201 ASN N N 117.872 0.3 1
850 201 202 HIS H H 8.179 0.020 1
851 201 202 HIS C C 172.998 0.3 1
852 201 202 HIS CA C 55.005 0.3 1
853 201 202 HIS CB C 33.866 0.3 1
854 201 202 HIS N N 122.463 0.3 1
855 202 203 PHE H H 8.433 0.020 1
856 202 203 PHE C C 173.473 0.3 1
857 202 203 PHE CA C 55.795 0.3 1
858 202 203 PHE CB C 41.136 0.3 1
859 202 203 PHE N N 124.379 0.3 1
860 203 204 ARG H H 9.148 0.020 1
861 203 204 ARG C C 173.354 0.3 1
862 203 204 ARG CA C 54.294 0.3 1
863 203 204 ARG CB C 34.237 0.3 1
864 203 204 ARG N N 121.546 0.3 1
865 204 205 CYS H H 8.820 0.020 1
866 204 205 CYS C C 171.483 0.3 1
867 204 205 CYS CA C 51.973 0.3 1
868 204 205 CYS CB C 42.322 0.3 1
869 204 205 CYS N N 127.291 0.3 1
870 205 206 GLN H H 9.203 0.020 1
871 205 206 GLN C C 173.414 0.3 1
872 205 206 GLN CA C 53.804 0.3 1
873 205 206 GLN CB C 31.937 0.3 1
874 205 206 GLN N N 127.854 0.3 1
875 206 207 VAL H H 9.081 0.020 1
876 206 207 VAL C C 174.205 0.3 1
877 206 207 VAL CA C 60.202 0.3 1
878 206 207 VAL CB C 31.344 0.3 1
879 206 207 VAL N N 127.293 0.3 1
880 207 208 GLN H H 8.791 0.020 1
881 207 208 GLN C C 173.493 0.3 1
882 207 208 GLN CA C 54.401 0.3 1
883 207 208 GLN CB C 28.896 0.3 1
884 207 208 GLN N N 128.364 0.3 1
885 208 209 PHE H H 8.742 0.020 1
886 208 209 PHE C C 172.523 0.3 1
887 208 209 PHE CA C 54.763 0.3 1
888 208 209 PHE CB C 40.724 0.3 1
889 208 209 PHE N N 128.038 0.3 1
890 209 210 HIS H H 7.556 0.020 1
891 209 210 HIS C C 173.414 0.3 1
892 209 210 HIS CA C 55.060 0.3 1
893 209 210 HIS CB C 28.065 0.3 1
894 209 210 HIS N N 127.601 0.3 1
895 210 211 GLY H H 7.624 0.020 1
896 210 211 GLY C C 174.312 0.3 1
897 210 211 GLY CA C 43.030 0.3 1
898 210 211 GLY N N 110.390 0.3 1
899 211 212 LEU H H 8.272 0.020 1
900 211 212 LEU C C 175.927 0.3 1
901 211 212 LEU CA C 54.013 0.3 1
902 211 212 LEU CB C 41.110 0.3 1
903 211 212 LEU N N 122.066 0.3 1
904 212 213 SER H H 9.247 0.020 1
905 212 213 SER C C 176.000 0.3 1
906 212 213 SER CA C 56.533 0.3 1
907 212 213 SER CB C 64.791 0.3 1
908 212 213 SER N N 116.581 0.3 1
909 214 215 GLU H H 8.341 0.020 1
910 214 215 GLU C C 176.912 0.3 1
911 214 215 GLU CA C 56.640 0.3 1
912 214 215 GLU CB C 28.677 0.3 1
913 214 215 GLU N N 115.229 0.3 1
914 215 216 ASP H H 7.189 0.020 1
915 215 216 ASP C C 175.427 0.3 1
916 215 216 ASP CA C 54.780 0.3 1
917 215 216 ASP CB C 41.507 0.3 1
918 215 216 ASP N N 120.404 0.3 1
919 216 217 LYS H H 8.478 0.020 1
920 216 217 LYS C C 175.452 0.3 1
921 216 217 LYS CA C 55.760 0.3 1
922 216 217 LYS CB C 31.668 0.3 1
923 216 217 LYS N N 123.490 0.3 1
924 217 218 TRP H H 8.217 0.020 1
925 217 218 TRP C C 173.813 0.3 1
926 217 218 TRP CA C 53.162 0.3 1
927 217 218 TRP CB C 32.289 0.3 1
928 217 218 TRP N N 123.606 0.3 1
929 220 221 GLY H H 8.590 0.020 1
930 220 221 GLY C C 173.797 0.3 1
931 220 221 GLY CA C 44.945 0.3 1
932 220 221 GLY N N 109.681 0.3 1
933 221 222 SER H H 7.648 0.020 1
934 221 222 SER C C 172.198 0.3 1
935 221 222 SER CA C 55.655 0.3 1
936 221 222 SER CB C 62.944 0.3 1
937 221 222 SER N N 115.704 0.3 1
938 223 224 LYS H H 8.377 0.020 1
939 223 224 LYS C C 176.517 0.3 1
940 223 224 LYS CA C 53.083 0.3 1
941 223 224 LYS CB C 32.658 0.3 1
942 223 224 LYS N N 127.731 0.3 1
943 225 226 VAL H H 7.537 0.020 1
944 225 226 VAL C C 175.645 0.3 1
945 225 226 VAL CA C 59.910 0.3 1
946 225 226 VAL CB C 32.086 0.3 1
947 225 226 VAL N N 117.424 0.3 1
948 226 227 THR H H 7.703 0.020 1
949 226 227 THR C C 174.614 0.3 1
950 226 227 THR CA C 63.011 0.3 1
951 226 227 THR CB C 68.437 0.3 1
952 226 227 THR N N 117.727 0.3 1
953 227 228 GLN H H 8.704 0.020 1
954 227 228 GLN C C 172.038 0.3 1
955 227 228 GLN CA C 54.215 0.3 1
956 227 228 GLN CB C 31.492 0.3 1
957 227 228 GLN N N 122.272 0.3 1
958 228 229 ASN H H 8.520 0.020 1
959 228 229 ASN C C 174.525 0.3 1
960 228 229 ASN CA C 51.150 0.3 1
961 228 229 ASN CB C 39.207 0.3 1
962 228 229 ASN N N 119.424 0.3 1
963 229 230 ILE H H 8.905 0.020 1
964 229 230 ILE C C 174.614 0.3 1
965 229 230 ILE CA C 59.922 0.3 1
966 229 230 ILE CB C 39.355 0.3 1
967 229 230 ILE N N 126.461 0.3 1
968 230 231 SER H H 8.475 0.020 1
969 230 231 SER C C 172.944 0.3 1
970 230 231 SER CA C 56.597 0.3 1
971 230 231 SER CB C 66.251 0.3 1
972 230 231 SER N N 120.413 0.3 1
973 231 232 ALA H H 8.502 0.020 1
974 231 232 ALA C C 175.112 0.3 1
975 231 232 ALA CA C 50.718 0.3 1
976 231 232 ALA CB C 22.104 0.3 1
977 231 232 ALA N N 123.650 0.3 1
978 232 233 GLU H H 8.702 0.020 1
979 232 233 GLU C C 174.490 0.3 1
980 232 233 GLU CA C 53.674 0.3 1
981 232 233 GLU CB C 33.673 0.3 1
982 232 233 GLU N N 118.477 0.3 1
983 233 234 ALA H H 8.932 0.020 1
984 233 234 ALA C C 174.779 0.3 1
985 233 234 ALA CA C 51.437 0.3 1
986 233 234 ALA CB C 21.543 0.3 1
987 233 234 ALA N N 121.861 0.3 1
988 234 235 TRP H H 8.438 0.020 1
989 234 235 TRP C C 176.204 0.3 1
990 234 235 TRP CA C 56.106 0.3 1
991 234 235 TRP CB C 30.973 0.3 1
992 234 235 TRP N N 121.417 0.3 1
993 235 236 GLY H H 8.497 0.020 1
994 235 236 GLY C C 172.008 0.3 1
995 235 236 GLY CA C 45.094 0.3 1
996 235 236 GLY N N 105.174 0.3 1
997 236 237 ARG H H 6.053 0.020 1
998 236 237 ARG C C 174.543 0.3 1
999 236 237 ARG CA C 53.976 0.3 1
1000 236 237 ARG CB C 31.328 0.3 1
1001 236 237 ARG N N 116.793 0.3 1
1002 237 238 ALA H H 8.409 0.020 1
1003 237 238 ALA C C 177.492 0.3 1
1004 237 238 ALA CA C 51.724 0.3 1
1005 237 238 ALA CB C 17.964 0.3 1
1006 237 238 ALA N N 126.165 0.3 1
1007 238 239 ASP H H 8.221 0.020 1
1008 238 239 ASP C C 175.023 0.3 1
1009 238 239 ASP CA C 53.444 0.3 1
1010 238 239 ASP CB C 39.852 0.3 1
1011 238 239 ASP N N 120.278 0.3 1
1012 239 240 SER H H 7.613 0.020 1
1013 239 240 SER C C 178.541 0.3 1
1014 239 240 SER CA C 59.256 0.3 1
1015 239 240 SER CB C 64.023 0.3 1
1016 239 240 SER N N 121.101 0.3 1
stop_
save_