data_26855
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
phosducin chemical shift
;
_BMRB_accession_number 26855
_BMRB_flat_file_name bmr26855.str
_Entry_type original
_Submission_date 2016-07-20
_Accession_date 2016-07-20
_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 Kacirova Miroslava . .
2 Novacek Jiri . .
3 Man Petr . .
4 Obsilova Veronika . .
5 Obsil Tomas . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 197
"13C chemical shifts" 402
"15N chemical shifts" 155
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-08-23 original BMRB .
stop_
_Original_release_date 2016-07-21
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural Basis for the 14-3-3 Protein-Dependent Inhibition of Phosducin Function
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 28402877
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kacirova Miroslava . .
2 Novacek Jiri . .
3 Man Petr . .
4 Obsilova Veronika . .
5 Obsil Tomas . .
stop_
_Journal_abbreviation 'Biophys. J.'
_Journal_name_full 'Biophysical journal'
_Journal_volume 112
_Journal_issue 7
_Journal_ISSN 1542-0086
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1339
_Page_last 1349
_Year 2017
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name phosducin
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
phosducin $PDC
stop_
_System_molecular_weight .
_System_physical_state 'partially disordered'
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PDC
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PDC
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 265
_Mol_residue_sequence
;
GSSHHHHHHSSGLVPRGSHM
EEAASQSLEEDFEGQATHTG
PKGVINDWRKFKLESEDGDS
IPPSKKEILRKMSSPQSRDD
KDSKERMSRKMSIQEYELIH
QDKEDEGCLRKYRRQCMQDM
HQKLSFGPRYGFVYELETGE
QFLETIEKEQKVTTIVVNIY
EDGVRGCDALNSSLECLAAE
YPMVKFCKIRASNTGAGDRF
SSDVLPTLLVYKGGELISNF
ISVAEQFAEDFFAADVESFL
NEYGLLPEREIHDLGQTNTE
DEDIE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -18 GLY 2 -17 SER 3 -16 SER 4 -15 HIS 5 -14 HIS
6 -13 HIS 7 -12 HIS 8 -11 HIS 9 -10 HIS 10 -9 SER
11 -8 SER 12 -7 GLY 13 -6 LEU 14 -5 VAL 15 -4 PRO
16 -3 ARG 17 -2 GLY 18 -1 SER 19 0 HIS 20 1 MET
21 2 GLU 22 3 GLU 23 4 ALA 24 5 ALA 25 6 SER
26 7 GLN 27 8 SER 28 9 LEU 29 10 GLU 30 11 GLU
31 12 ASP 32 13 PHE 33 14 GLU 34 15 GLY 35 16 GLN
36 17 ALA 37 18 THR 38 19 HIS 39 20 THR 40 21 GLY
41 22 PRO 42 23 LYS 43 24 GLY 44 25 VAL 45 26 ILE
46 27 ASN 47 28 ASP 48 29 TRP 49 30 ARG 50 31 LYS
51 32 PHE 52 33 LYS 53 34 LEU 54 35 GLU 55 36 SER
56 37 GLU 57 38 ASP 58 39 GLY 59 40 ASP 60 41 SER
61 42 ILE 62 43 PRO 63 44 PRO 64 45 SER 65 46 LYS
66 47 LYS 67 48 GLU 68 49 ILE 69 50 LEU 70 51 ARG
71 52 LYS 72 53 MET 73 54 SER 74 55 SER 75 56 PRO
76 57 GLN 77 58 SER 78 59 ARG 79 60 ASP 80 61 ASP
81 62 LYS 82 63 ASP 83 64 SER 84 65 LYS 85 66 GLU
86 67 ARG 87 68 MET 88 69 SER 89 70 ARG 90 71 LYS
91 72 MET 92 73 SER 93 74 ILE 94 75 GLN 95 76 GLU
96 77 TYR 97 78 GLU 98 79 LEU 99 80 ILE 100 81 HIS
101 82 GLN 102 83 ASP 103 84 LYS 104 85 GLU 105 86 ASP
106 87 GLU 107 88 GLY 108 89 CYS 109 90 LEU 110 91 ARG
111 92 LYS 112 93 TYR 113 94 ARG 114 95 ARG 115 96 GLN
116 97 CYS 117 98 MET 118 99 GLN 119 100 ASP 120 101 MET
121 102 HIS 122 103 GLN 123 104 LYS 124 105 LEU 125 106 SER
126 107 PHE 127 108 GLY 128 109 PRO 129 110 ARG 130 111 TYR
131 112 GLY 132 113 PHE 133 114 VAL 134 115 TYR 135 116 GLU
136 117 LEU 137 118 GLU 138 119 THR 139 120 GLY 140 121 GLU
141 122 GLN 142 123 PHE 143 124 LEU 144 125 GLU 145 126 THR
146 127 ILE 147 128 GLU 148 129 LYS 149 130 GLU 150 131 GLN
151 132 LYS 152 133 VAL 153 134 THR 154 135 THR 155 136 ILE
156 137 VAL 157 138 VAL 158 139 ASN 159 140 ILE 160 141 TYR
161 142 GLU 162 143 ASP 163 144 GLY 164 145 VAL 165 146 ARG
166 147 GLY 167 148 CYS 168 149 ASP 169 150 ALA 170 151 LEU
171 152 ASN 172 153 SER 173 154 SER 174 155 LEU 175 156 GLU
176 157 CYS 177 158 LEU 178 159 ALA 179 160 ALA 180 161 GLU
181 162 TYR 182 163 PRO 183 164 MET 184 165 VAL 185 166 LYS
186 167 PHE 187 168 CYS 188 169 LYS 189 170 ILE 190 171 ARG
191 172 ALA 192 173 SER 193 174 ASN 194 175 THR 195 176 GLY
196 177 ALA 197 178 GLY 198 179 ASP 199 180 ARG 200 181 PHE
201 182 SER 202 183 SER 203 184 ASP 204 185 VAL 205 186 LEU
206 187 PRO 207 188 THR 208 189 LEU 209 190 LEU 210 191 VAL
211 192 TYR 212 193 LYS 213 194 GLY 214 195 GLY 215 196 GLU
216 197 LEU 217 198 ILE 218 199 SER 219 200 ASN 220 201 PHE
221 202 ILE 222 203 SER 223 204 VAL 224 205 ALA 225 206 GLU
226 207 GLN 227 208 PHE 228 209 ALA 229 210 GLU 230 211 ASP
231 212 PHE 232 213 PHE 233 214 ALA 234 215 ALA 235 216 ASP
236 217 VAL 237 218 GLU 238 219 SER 239 220 PHE 240 221 LEU
241 222 ASN 242 223 GLU 243 224 TYR 244 225 GLY 245 226 LEU
246 227 LEU 247 228 PRO 248 229 GLU 249 230 ARG 250 231 GLU
251 232 ILE 252 233 HIS 253 234 ASP 254 235 LEU 255 236 GLY
256 237 GLN 257 238 THR 258 239 ASN 259 240 THR 260 241 GLU
261 242 ASP 262 243 GLU 263 244 ASP 264 245 ILE 265 246 GLU
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
$PDC Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$PDC 'recombinant technology' . Escherichia coli . pET-15b
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
$PDC 0.2 mM '[U-100% 13C; U-100% 15N]'
MES 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
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 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 850
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 950
_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_
save_3D_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_5D_HN(CA)CONH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '5D HN(CA)CONH'
_Sample_label $sample_1
save_
save_5D_HabCabCONH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '5D HabCabCONH'
_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' 0.15 . M
pH 6.5 . pH
pressure 1 . atm
temperature 293 . 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
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HN(CO)CA'
'5D HN(CA)CONH'
'5D HabCabCONH'
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 phosducin
_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 1 20 MET H H 8.324 0.004 1
2 1 20 MET C C 176.225 0.020 1
3 1 20 MET CA C 56.690 0.020 1
4 1 20 MET CB C 30.486 0.020 1
5 1 20 MET N N 121.362 0.014 1
6 2 21 GLU H H 8.536 0.004 1
7 2 21 GLU C C 176.647 0.020 1
8 2 21 GLU CA C 56.928 0.020 1
9 2 21 GLU CB C 30.029 0.020 1
10 2 21 GLU N N 121.917 0.015 1
11 3 22 GLU H H 8.431 0.001 1
12 3 22 GLU C C 176.492 0.020 1
13 3 22 GLU CA C 56.851 0.020 1
14 3 22 GLU CB C 29.975 0.020 1
15 3 22 GLU N N 121.991 0.040 1
16 4 23 ALA H H 8.336 0.001 1
17 4 23 ALA C C 177.772 0.020 1
18 4 23 ALA CA C 52.781 0.020 1
19 4 23 ALA CB C 19.099 0.020 1
20 4 23 ALA N N 124.909 0.009 1
21 5 24 ALA H H 8.267 0.001 1
22 5 24 ALA C C 178.086 0.020 1
23 5 24 ALA CA C 52.782 0.020 1
24 5 24 ALA CB C 19.095 0.020 1
25 5 24 ALA N N 123.029 0.009 1
26 6 25 SER H H 8.233 0.001 1
27 6 25 SER C C 174.744 0.020 1
28 6 25 SER CA C 58.685 0.020 1
29 6 25 SER CB C 63.795 0.020 1
30 6 25 SER N N 114.788 0.009 1
31 7 26 GLN H H 8.355 0.003 1
32 7 26 GLN C C 175.961 0.020 1
33 7 26 GLN CA C 55.981 0.020 1
34 7 26 GLN CB C 29.492 0.020 1
35 7 26 GLN N N 122.015 0.006 1
36 8 27 SER H H 8.346 0.001 1
37 8 27 SER C C 174.513 0.020 1
38 8 27 SER CA C 58.458 0.020 1
39 8 27 SER CB C 63.752 0.020 1
40 8 27 SER N N 116.977 0.016 1
41 9 28 LEU H H 8.347 0.001 1
42 9 28 LEU C C 177.466 0.020 1
43 9 28 LEU CA C 55.330 0.020 1
44 9 28 LEU CB C 42.330 0.020 1
45 9 28 LEU N N 124.283 0.017 1
46 10 29 GLU H H 8.358 0.001 1
47 10 29 GLU C C 176.549 0.020 1
48 10 29 GLU CA C 56.824 0.020 1
49 10 29 GLU CB C 30.163 0.020 1
50 10 29 GLU N N 121.177 0.003 1
51 11 30 GLU H H 8.330 0.002 1
52 11 30 GLU CA C 56.717 0.020 1
53 11 30 GLU CB C 30.378 0.020 1
54 11 30 GLU N N 121.372 0.039 1
55 12 31 ASP C C 176.167 0.020 1
56 13 32 PHE H H 8.168 0.001 1
57 13 32 PHE C C 176.258 0.020 1
58 13 32 PHE CA C 58.274 0.020 1
59 13 32 PHE CB C 39.399 0.020 1
60 13 32 PHE N N 120.910 0.002 1
61 14 33 GLU H H 8.434 0.001 1
62 14 33 GLU C C 177.169 0.020 1
63 14 33 GLU CA C 56.958 0.020 1
64 14 33 GLU CB C 29.975 0.020 1
65 14 33 GLU N N 121.883 0.006 1
66 15 34 GLY H H 8.158 0.001 1
67 15 34 GLY C C 174.472 0.020 1
68 15 34 GLY CA C 45.673 0.020 1
69 15 34 GLY N N 109.484 0.011 1
70 16 35 GLN H H 8.132 0.001 1
71 16 35 GLN C C 176.098 0.020 1
72 16 35 GLN CA C 56.040 0.020 1
73 16 35 GLN CB C 29.392 0.020 1
74 16 35 GLN N N 119.679 0.005 1
75 17 36 ALA H H 8.396 0.001 1
76 17 36 ALA C C 177.974 0.020 1
77 17 36 ALA CA C 52.915 0.020 1
78 17 36 ALA CB C 19.117 0.020 1
79 17 36 ALA N N 124.559 0.015 1
80 18 37 THR H H 8.035 0.002 1
81 18 37 THR C C 174.445 0.020 1
82 18 37 THR CA C 62.006 0.020 1
83 18 37 THR CB C 69.827 0.020 1
84 18 37 THR N N 112.319 0.023 1
85 19 38 HIS H H 8.395 0.004 1
86 19 38 HIS C C 174.959 0.020 1
87 19 38 HIS CA C 55.804 0.020 1
88 19 38 HIS CB C 29.922 0.020 1
89 19 38 HIS N N 121.150 0.022 1
90 20 39 THR H H 8.169 0.002 1
91 20 39 THR C C 174.622 0.020 1
92 20 39 THR CA C 61.703 0.020 1
93 20 39 THR CB C 69.964 0.020 1
94 20 39 THR N N 115.012 0.010 1
95 21 40 GLY H H 8.274 0.002 1
96 21 40 GLY CA C 44.630 0.020 1
97 21 40 GLY N N 111.323 0.021 1
98 22 41 PRO C C 177.348 0.020 1
99 22 41 PRO CA C 63.348 0.020 1
100 22 41 PRO CB C 32.150 0.020 1
101 23 42 LYS H H 8.529 0.001 1
102 23 42 LYS C C 177.172 0.020 1
103 23 42 LYS CA C 56.502 0.020 1
104 23 42 LYS CB C 32.956 0.020 1
105 23 42 LYS N N 121.134 0.013 1
106 24 43 GLY H H 8.345 0.002 1
107 24 43 GLY C C 173.881 0.020 1
108 24 43 GLY CA C 45.279 0.020 1
109 24 43 GLY N N 109.615 0.003 1
110 25 44 VAL H H 7.950 0.001 1
111 25 44 VAL C C 176.199 0.020 1
112 25 44 VAL CA C 62.435 0.020 1
113 25 44 VAL CB C 32.821 0.020 1
114 25 44 VAL N N 119.440 0.007 1
115 26 45 ILE H H 8.249 0.002 1
116 26 45 ILE C C 175.866 0.020 1
117 26 45 ILE CA C 61.061 0.020 1
118 26 45 ILE CB C 38.542 0.020 1
119 26 45 ILE N N 124.618 0.017 1
120 27 46 ASN H H 8.455 0.003 1
121 27 46 ASN C C 174.741 0.020 1
122 27 46 ASN CA C 56.475 0.020 1
123 27 46 ASN CB C 38.970 0.020 1
124 27 46 ASN N N 122.867 0.003 1
125 28 47 ASP H H 8.171 0.012 1
126 28 47 ASP CA C 54.193 0.020 1
127 28 47 ASP CB C 41.010 0.020 1
128 28 47 ASP N N 121.135 0.003 1
129 34 53 LEU C C 177.557 0.020 1
130 34 53 LEU CA C 55.455 0.020 1
131 34 53 LEU CB C 42.406 0.020 1
132 35 54 GLU H H 8.442 0.002 1
133 35 54 GLU C C 176.487 0.020 1
134 35 54 GLU CA C 56.824 0.020 1
135 35 54 GLU CB C 30.325 0.020 1
136 35 54 GLU N N 121.258 0.011 1
137 36 55 SER H H 8.234 0.001 1
138 36 55 SER C C 174.715 0.020 1
139 36 55 SER CA C 58.489 0.020 1
140 36 55 SER CB C 63.939 0.020 1
141 36 55 SER N N 115.830 0.005 1
142 37 56 GLU H H 8.484 0.002 1
143 37 56 GLU C C 176.292 0.020 1
144 37 56 GLU CA C 56.743 0.020 1
145 37 56 GLU CB C 30.137 0.020 1
146 37 56 GLU N N 122.817 0.016 1
147 38 57 ASP H H 8.321 0.002 1
148 38 57 ASP C C 176.868 0.020 1
149 38 57 ASP CA C 54.569 0.020 1
150 38 57 ASP CB C 41.252 0.020 1
151 38 57 ASP N N 120.703 0.013 1
152 39 58 GLY H H 8.305 0.004 1
153 39 58 GLY C C 174.172 0.020 1
154 39 58 GLY CA C 45.655 0.020 1
155 39 58 GLY N N 109.400 0.009 1
156 40 59 ASP H H 8.279 0.004 1
157 40 59 ASP C C 176.433 0.020 1
158 40 59 ASP CA C 54.408 0.020 1
159 40 59 ASP CB C 41.198 0.020 1
160 40 59 ASP N N 120.309 0.001 1
161 41 60 SER H H 8.227 0.002 1
162 41 60 SER C C 174.119 0.020 1
163 41 60 SER CA C 58.489 0.020 1
164 41 60 SER CB C 63.939 0.020 1
165 41 60 SER N N 115.737 0.001 1
166 42 61 ILE H H 8.109 0.002 1
167 42 61 ILE CA C 58.679 0.020 1
168 42 61 ILE CB C 38.629 0.020 1
169 42 61 ILE N N 124.165 0.010 1
170 44 63 PRO C C 177.378 0.020 1
171 44 63 PRO CA C 63.610 0.020 1
172 44 63 PRO CB C 31.892 0.020 1
173 45 64 SER H H 8.385 0.004 1
174 45 64 SER CA C 58.792 0.020 1
175 45 64 SER CB C 63.643 0.020 1
176 45 64 SER N N 114.909 0.030 1
177 56 75 PRO C C 177.101 0.020 1
178 56 75 PRO CA C 63.666 0.020 1
179 56 75 PRO CB C 32.016 0.020 1
180 57 76 GLN H H 8.495 0.001 1
181 57 76 GLN C C 176.186 0.020 1
182 57 76 GLN CA C 56.072 0.020 1
183 57 76 GLN CB C 29.412 0.020 1
184 57 76 GLN N N 120.052 0.013 1
185 58 77 SER H H 8.368 0.002 1
186 58 77 SER HA H 4.401 0.002 1
187 58 77 SER HB2 H 3.862 0.002 2
188 58 77 SER HB3 H 3.862 0.002 2
189 58 77 SER C C 174.674 0.020 1
190 58 77 SER CA C 58.596 0.020 1
191 58 77 SER CB C 63.885 0.020 1
192 58 77 SER N N 117.299 0.016 1
193 59 78 ARG H H 8.436 0.001 1
194 59 78 ARG HA H 4.325 0.002 1
195 59 78 ARG HB2 H 1.813 0.002 2
196 59 78 ARG HB3 H 1.813 0.002 2
197 59 78 ARG C C 176.083 0.020 1
198 59 78 ARG CA C 56.529 0.020 1
199 59 78 ARG CB C 30.835 0.020 1
200 59 78 ARG N N 123.050 0.012 1
201 60 79 ASP H H 8.360 0.001 1
202 60 79 ASP C C 176.123 0.020 1
203 60 79 ASP CA C 54.542 0.020 1
204 60 79 ASP CB C 41.279 0.020 1
205 60 79 ASP N N 121.168 0.003 1
206 61 80 ASP H H 8.285 0.011 1
207 61 80 ASP C C 176.856 0.020 1
208 61 80 ASP CA C 54.596 0.020 1
209 61 80 ASP CB C 41.118 0.020 1
210 61 80 ASP N N 121.212 0.001 1
211 62 81 LYS H H 8.299 0.002 1
212 62 81 LYS C C 177.136 0.020 1
213 62 81 LYS CA C 57.442 0.020 1
214 62 81 LYS CB C 32.633 0.020 1
215 62 81 LYS N N 121.229 0.017 1
216 63 82 ASP H H 8.324 0.001 1
217 63 82 ASP C C 176.934 0.020 1
218 63 82 ASP CA C 55.106 0.020 1
219 63 82 ASP CB C 41.118 0.020 1
220 63 82 ASP N N 120.007 0.009 1
221 64 83 SER H H 8.141 0.002 1
222 64 83 SER C C 175.614 0.020 1
223 64 83 SER CA C 59.497 0.020 1
224 64 83 SER CB C 63.509 0.020 1
225 64 83 SER N N 116.165 0.019 1
226 65 84 LYS H H 8.343 0.002 1
227 65 84 LYS C C 177.831 0.020 1
228 65 84 LYS CA C 57.788 0.020 1
229 65 84 LYS CB C 32.446 0.020 1
230 65 84 LYS N N 122.797 0.013 1
231 66 85 GLU H H 8.296 0.003 1
232 66 85 GLU C C 177.456 0.020 1
233 66 85 GLU CA C 57.522 0.020 1
234 66 85 GLU CB C 29.600 0.020 1
235 66 85 GLU N N 120.502 0.005 1
236 67 86 ARG H H 8.169 0.003 1
237 67 86 ARG C C 177.286 0.020 1
238 67 86 ARG CA C 57.442 0.020 1
239 67 86 ARG CB C 30.351 0.020 1
240 67 86 ARG N N 120.740 0.018 1
241 68 87 MET H H 8.250 0.001 1
242 68 87 MET C C 176.827 0.020 1
243 68 87 MET CA C 56.180 0.020 1
244 68 87 MET CB C 32.633 0.020 1
245 68 87 MET N N 119.776 0.017 1
246 69 88 SER H H 8.208 0.003 1
247 69 88 SER C C 174.892 0.020 1
248 69 88 SER CA C 59.059 0.020 1
249 69 88 SER CB C 63.697 0.020 1
250 69 88 SER N N 116.330 0.027 1
251 70 89 ARG H H 8.171 0.003 1
252 70 89 ARG CA C 56.690 0.020 1
253 70 89 ARG CB C 30.707 0.020 1
254 70 89 ARG N N 122.450 0.018 1
255 74 93 ILE C C 176.056 0.020 1
256 74 93 ILE CA C 61.390 0.020 1
257 74 93 ILE CB C 38.762 0.020 1
258 75 94 GLN H H 8.549 0.002 1
259 75 94 GLN C C 175.686 0.020 1
260 75 94 GLN CA C 55.654 0.020 1
261 75 94 GLN CB C 29.473 0.020 1
262 75 94 GLN N N 124.791 0.040 1
263 76 95 GLU H H 8.492 0.002 1
264 76 95 GLU C C 176.318 0.020 1
265 76 95 GLU CA C 56.844 0.020 1
266 76 95 GLU CB C 30.131 0.020 1
267 76 95 GLU N N 122.765 0.040 1
268 77 96 TYR H H 8.114 0.002 1
269 77 96 TYR C C 175.775 0.020 1
270 77 96 TYR CA C 57.995 0.020 1
271 77 96 TYR CB C 38.762 0.020 1
272 77 96 TYR N N 119.885 0.040 1
273 78 97 GLU H H 8.250 0.002 1
274 78 97 GLU C C 176.104 0.020 1
275 78 97 GLU CA C 56.625 0.020 1
276 78 97 GLU CB C 30.515 0.020 1
277 78 97 GLU N N 121.906 0.040 1
278 79 98 LEU H H 8.119 0.002 1
279 79 98 LEU C C 177.157 0.020 1
280 79 98 LEU CA C 55.392 0.020 1
281 79 98 LEU CB C 42.323 0.020 1
282 79 98 LEU N N 123.001 0.040 1
283 80 99 ILE H H 7.965 0.002 1
284 80 99 ILE C C 175.953 0.020 1
285 80 99 ILE CA C 61.000 0.020 1
286 80 99 ILE CB C 38.661 0.020 1
287 80 99 ILE N N 121.007 0.040 1
288 81 100 HIS H H 8.505 0.002 1
289 81 100 HIS C C 174.608 0.020 1
290 81 100 HIS CA C 58.113 0.020 1
291 81 100 HIS CB C 29.224 0.020 1
292 81 100 HIS N N 123.303 0.040 1
293 82 101 GLN H H 8.216 0.007 1
294 82 101 GLN C C 175.531 0.020 1
295 82 101 GLN CA C 56.019 0.020 1
296 82 101 GLN CB C 29.546 0.020 1
297 82 101 GLN N N 121.732 0.015 1
298 83 102 ASP H H 8.514 0.001 1
299 83 102 ASP C C 176.276 0.020 1
300 83 102 ASP CA C 54.703 0.020 1
301 83 102 ASP CB C 41.091 0.020 1
302 83 102 ASP N N 121.851 0.006 1
303 84 103 LYS H H 8.286 0.002 1
304 84 103 LYS C C 176.827 0.020 1
305 84 103 LYS CA C 56.502 0.020 1
306 84 103 LYS CB C 32.929 0.020 1
307 84 103 LYS N N 121.156 0.016 1
308 85 104 GLU H H 8.494 0.001 1
309 85 104 GLU C C 176.369 0.020 1
310 85 104 GLU CA C 56.878 0.020 1
311 85 104 GLU CB C 30.002 0.020 1
312 85 104 GLU N N 121.564 0.018 1
313 86 105 ASP H H 8.335 0.004 1
314 86 105 ASP C C 176.588 0.020 1
315 86 105 ASP CA C 54.461 0.020 1
316 86 105 ASP CB C 41.171 0.020 1
317 86 105 ASP N N 121.096 0.017 1
318 87 106 GLU H H 8.474 0.001 1
319 87 106 GLU C C 177.586 0.020 1
320 87 106 GLU CA C 57.576 0.020 1
321 87 106 GLU CB C 30.002 0.020 1
322 87 106 GLU N N 122.052 0.006 1
323 88 107 GLY H H 8.567 0.001 1
324 88 107 GLY C C 174.996 0.020 1
325 88 107 GLY CA C 45.870 0.020 1
326 88 107 GLY N N 109.115 0.007 1
327 89 108 CYS H H 8.140 0.001 1
328 89 108 CYS C C 175.327 0.020 1
329 89 108 CYS CA C 59.599 0.020 1
330 89 108 CYS CB C 27.641 0.020 1
331 89 108 CYS N N 119.110 0.014 1
332 90 109 LEU H H 8.272 0.002 1
333 90 109 LEU CA C 56.207 0.020 1
334 90 109 LEU CB C 41.994 0.020 1
335 90 109 LEU N N 123.206 0.017 1
336 91 110 ARG H H 8.200 0.002 1
337 91 110 ARG N N 122.299 0.040 1
338 92 111 LYS H H 8.290 0.002 1
339 92 111 LYS N N 123.555 0.040 1
340 93 112 TYR H H 7.743 0.002 1
341 93 112 TYR N N 126.093 0.040 1
342 111 130 TYR C C 178.266 0.020 1
343 112 131 GLY H H 8.612 0.002 1
344 112 131 GLY CA C 44.717 0.020 1
345 112 131 GLY N N 110.801 0.040 1
346 113 132 PHE H H 7.233 0.003 1
347 113 132 PHE CA C 55.565 0.020 1
348 113 132 PHE CB C 41.443 0.020 1
349 113 132 PHE N N 116.033 0.047 1
350 114 133 VAL H H 9.025 0.002 1
351 114 133 VAL CA C 62.631 0.020 1
352 114 133 VAL CB C 31.499 0.020 1
353 114 133 VAL N N 121.704 0.041 1
354 115 134 TYR H H 9.306 0.016 1
355 115 134 TYR CA C 58.512 0.020 1
356 115 134 TYR CB C 39.057 0.020 1
357 115 134 TYR N N 130.545 0.010 1
358 116 135 GLU H H 8.912 0.002 1
359 116 135 GLU CA C 55.638 0.020 1
360 116 135 GLU CB C 29.981 0.020 1
361 116 135 GLU N N 126.313 0.020 1
362 117 136 LEU H H 9.011 0.005 1
363 117 136 LEU CA C 53.257 0.020 1
364 117 136 LEU CB C 43.108 0.020 1
365 117 136 LEU N N 128.657 0.011 1
366 118 137 GLU H H 8.899 0.002 1
367 118 137 GLU CA C 58.038 0.020 1
368 118 137 GLU CB C 32.432 0.020 1
369 118 137 GLU N N 120.053 0.037 1
370 119 138 THR H H 7.089 0.002 1
371 119 138 THR CA C 58.755 0.020 1
372 119 138 THR CB C 74.261 0.020 1
373 119 138 THR N N 130.807 0.040 1
374 120 139 GLY H H 8.907 0.001 1
375 120 139 GLY CA C 47.175 0.020 1
376 120 139 GLY N N 110.014 0.041 1
377 121 140 GLU H H 8.576 0.002 1
378 121 140 GLU CA C 60.553 0.020 1
379 121 140 GLU CB C 29.008 0.020 1
380 121 140 GLU N N 122.020 0.040 1
381 122 141 GLN H H 8.122 0.002 1
382 122 141 GLN CA C 58.516 0.020 1
383 122 141 GLN CB C 28.980 0.020 1
384 122 141 GLN N N 120.390 0.040 1
385 123 142 PHE CA C 59.694 0.020 1
386 123 142 PHE CB C 38.311 0.020 1
387 126 145 THR CB C 68.605 0.020 1
388 127 146 ILE H H 7.114 0.005 1
389 127 146 ILE CA C 63.429 0.020 1
390 127 146 ILE CB C 37.551 0.020 1
391 127 146 ILE N N 115.900 0.040 1
392 128 147 GLU H H 7.823 0.005 1
393 128 147 GLU CA C 58.664 0.020 1
394 128 147 GLU CB C 30.678 0.020 1
395 128 147 GLU N N 117.080 0.034 1
396 129 148 LYS H H 7.984 0.004 1
397 129 148 LYS CA C 56.548 0.020 1
398 129 148 LYS CB C 32.641 0.020 1
399 129 148 LYS N N 114.932 0.039 1
400 130 149 GLU H H 6.999 0.011 1
401 130 149 GLU CA C 56.098 0.020 1
402 130 149 GLU CB C 29.856 0.020 1
403 130 149 GLU N N 119.563 0.036 1
404 131 150 GLN H H 8.946 0.005 1
405 131 150 GLN CA C 57.194 0.020 1
406 131 150 GLN CB C 29.038 0.020 1
407 131 150 GLN N N 123.093 0.019 1
408 132 151 LYS H H 8.809 0.002 1
409 132 151 LYS CA C 59.010 0.020 1
410 132 151 LYS CB C 32.376 0.020 1
411 132 151 LYS N N 122.611 0.035 1
412 133 152 VAL H H 7.171 0.002 1
413 133 152 VAL CA C 62.812 0.756 1
414 133 152 VAL CB C 31.754 0.020 1
415 133 152 VAL N N 107.975 0.009 1
416 134 153 THR H H 7.538 0.001 1
417 134 153 THR CB C 70.735 0.020 1
418 134 153 THR N N 120.800 0.022 1
419 135 154 THR H H 9.613 0.003 1
420 135 154 THR CA C 64.216 0.020 1
421 135 154 THR CB C 69.151 0.020 1
422 135 154 THR N N 127.853 0.040 1
423 136 155 ILE H H 9.202 0.012 1
424 136 155 ILE CA C 59.172 0.020 1
425 136 155 ILE CB C 40.957 0.020 1
426 136 155 ILE N N 127.357 0.031 1
427 137 156 VAL H H 9.217 0.002 1
428 137 156 VAL CB C 33.403 0.020 1
429 137 156 VAL N N 127.404 0.040 1
430 138 157 VAL H H 9.727 0.003 1
431 138 157 VAL CA C 60.855 0.020 1
432 138 157 VAL N N 126.261 0.005 1
433 139 158 ASN H H 8.822 0.009 1
434 139 158 ASN CA C 51.961 0.020 1
435 139 158 ASN CB C 40.410 0.020 1
436 139 158 ASN N N 125.245 0.030 1
437 142 161 GLU CA C 56.899 0.020 1
438 142 161 GLU CB C 34.210 0.020 1
439 143 162 ASP H H 9.055 0.001 1
440 143 162 ASP CA C 56.401 0.020 1
441 143 162 ASP CB C 40.587 0.020 1
442 143 162 ASP N N 123.109 0.006 1
443 144 163 GLY H H 9.338 0.003 1
444 144 163 GLY CA C 45.766 0.020 1
445 144 163 GLY N N 110.771 0.011 1
446 145 164 VAL H H 7.285 0.001 1
447 145 164 VAL CA C 62.540 0.020 1
448 145 164 VAL CB C 31.917 0.020 1
449 145 164 VAL N N 121.306 0.014 1
450 146 165 ARG H H 9.085 0.002 1
451 146 165 ARG CA C 58.821 0.020 1
452 146 165 ARG CB C 29.897 0.020 1
453 146 165 ARG N N 132.135 0.040 1
454 147 166 GLY H H 8.715 0.001 1
455 147 166 GLY CA C 45.948 0.020 1
456 147 166 GLY N N 112.823 0.050 1
457 148 167 CYS H H 8.129 0.005 1
458 148 167 CYS CA C 65.143 0.020 1
459 148 167 CYS CB C 28.255 0.020 1
460 148 167 CYS N N 117.743 0.013 1
461 149 168 ASP H H 8.751 0.005 1
462 149 168 ASP CA C 57.506 0.020 1
463 149 168 ASP CB C 39.268 0.020 1
464 149 168 ASP N N 121.326 0.021 1
465 150 169 ALA H H 8.642 0.007 1
466 150 169 ALA CA C 54.572 0.020 1
467 150 169 ALA CB C 17.338 0.020 1
468 150 169 ALA N N 123.959 0.005 1
469 151 170 LEU H H 8.204 0.002 1
470 151 170 LEU C C 178.228 0.020 1
471 151 170 LEU CA C 54.433 0.020 1
472 151 170 LEU CB C 41.255 0.020 1
473 151 170 LEU N N 121.331 0.040 1
474 159 178 ALA CA C 54.351 0.020 1
475 159 178 ALA CB C 17.310 0.020 1
476 160 179 ALA H H 6.737 0.001 1
477 160 179 ALA CA C 53.703 0.020 1
478 160 179 ALA CB C 18.642 0.020 1
479 160 179 ALA N N 116.619 0.025 1
480 161 180 GLU H H 7.405 0.002 1
481 161 180 GLU CA C 57.493 0.020 1
482 161 180 GLU CB C 30.404 0.020 1
483 161 180 GLU N N 117.188 0.009 1
484 162 181 TYR H H 8.172 0.002 1
485 162 181 TYR CA C 59.030 0.020 1
486 162 181 TYR CB C 41.192 0.020 1
487 162 181 TYR N N 116.203 0.040 1
488 167 186 PHE CA C 58.033 0.020 1
489 167 186 PHE CB C 41.431 0.020 1
490 168 187 CYS H H 8.162 0.003 1
491 168 187 CYS CA C 59.395 0.020 1
492 168 187 CYS CB C 29.887 0.020 1
493 168 187 CYS N N 117.813 0.010 1
494 169 188 LYS H H 7.840 0.002 1
495 169 188 LYS CA C 53.118 0.020 1
496 169 188 LYS N N 115.564 0.076 1
497 171 190 ARG CB C 29.773 0.020 1
498 172 191 ALA H H 8.618 0.008 1
499 172 191 ALA CA C 55.445 0.020 1
500 172 191 ALA CB C 18.958 0.020 1
501 172 191 ALA N N 127.913 0.018 1
502 173 192 SER H H 8.913 0.002 1
503 173 192 SER CA C 60.450 0.020 1
504 173 192 SER CB C 62.321 0.020 1
505 173 192 SER N N 112.496 0.030 1
506 174 193 ASN H H 8.044 0.002 1
507 174 193 ASN CA C 53.284 0.020 1
508 174 193 ASN CB C 39.063 0.020 1
509 174 193 ASN N N 120.453 0.040 1
510 175 194 THR CA C 64.170 0.020 1
511 175 194 THR CB C 71.823 0.020 1
512 176 195 GLY H H 8.270 0.002 1
513 176 195 GLY CA C 45.706 0.020 1
514 176 195 GLY N N 109.417 0.040 1
515 177 196 ALA H H 8.205 0.002 1
516 177 196 ALA CA C 51.545 0.020 1
517 177 196 ALA CB C 19.070 0.020 1
518 177 196 ALA N N 123.279 0.040 1
519 178 197 GLY H H 8.597 0.002 1
520 178 197 GLY CA C 46.775 0.020 1
521 178 197 GLY N N 108.947 0.040 1
522 179 198 ASP H H 8.529 0.004 1
523 179 198 ASP CA C 55.077 0.020 1
524 179 198 ASP CB C 40.038 0.020 1
525 179 198 ASP N N 120.112 0.006 1
526 180 199 ARG CA C 57.389 0.020 1
527 180 199 ARG CB C 30.698 0.020 1
528 182 201 SER H H 7.244 0.004 1
529 182 201 SER CA C 57.942 0.020 1
530 182 201 SER CB C 64.058 0.020 1
531 182 201 SER N N 114.445 0.038 1
532 183 202 SER H H 8.772 0.005 1
533 183 202 SER CA C 57.866 0.020 1
534 183 202 SER CB C 64.081 0.020 1
535 183 202 SER N N 115.732 0.018 1
536 192 211 TYR H H 9.847 0.002 1
537 192 211 TYR CA C 56.811 0.020 1
538 192 211 TYR CB C 43.876 0.020 1
539 192 211 TYR N N 127.114 0.044 1
540 193 212 LYS H H 8.745 0.003 1
541 193 212 LYS CA C 57.536 0.020 1
542 193 212 LYS CB C 36.221 0.020 1
543 193 212 LYS N N 117.781 0.012 1
544 194 213 GLY H H 9.497 0.003 1
545 194 213 GLY CA C 47.723 0.020 1
546 194 213 GLY N N 120.015 0.052 1
547 195 214 GLY H H 9.757 0.002 1
548 195 214 GLY CA C 44.619 0.020 1
549 195 214 GLY N N 107.456 0.040 1
550 196 215 GLU H H 7.573 0.002 1
551 196 215 GLU CA C 54.318 0.020 1
552 196 215 GLU CB C 32.434 0.020 1
553 196 215 GLU N N 118.885 0.040 1
554 197 216 LEU H H 8.678 0.006 1
555 197 216 LEU CA C 55.283 0.020 1
556 197 216 LEU CB C 41.295 0.020 1
557 197 216 LEU N N 125.442 0.013 1
558 198 217 ILE H H 9.264 0.003 1
559 198 217 ILE CA C 61.420 0.020 1
560 198 217 ILE CB C 38.570 0.020 1
561 198 217 ILE N N 126.071 0.051 1
562 205 224 ALA CA C 53.936 0.020 1
563 205 224 ALA CB C 17.712 0.020 1
564 206 225 GLU H H 7.628 0.001 1
565 206 225 GLU CA C 57.700 0.020 1
566 206 225 GLU CB C 29.236 0.020 1
567 206 225 GLU N N 116.143 0.046 1
568 207 226 GLN H H 7.238 0.002 1
569 207 226 GLN CA C 55.274 0.020 1
570 207 226 GLN CB C 27.035 0.020 1
571 207 226 GLN N N 114.876 0.040 1
572 208 227 PHE H H 6.809 0.006 1
573 208 227 PHE CA C 54.554 0.020 1
574 208 227 PHE CB C 42.446 0.020 1
575 208 227 PHE N N 117.200 0.013 1
576 209 228 ALA H H 8.427 0.002 1
577 209 228 ALA C C 176.976 0.020 1
578 209 228 ALA CA C 51.968 0.020 1
579 209 228 ALA CB C 19.168 0.020 1
580 209 228 ALA N N 121.699 0.040 1
581 214 233 ALA H H 8.915 0.002 1
582 214 233 ALA CA C 56.931 0.020 1
583 214 233 ALA CB C 18.761 0.020 1
584 214 233 ALA N N 124.316 0.039 1
585 215 234 ALA H H 8.645 0.001 1
586 215 234 ALA CA C 55.228 0.020 1
587 215 234 ALA CB C 18.598 0.020 1
588 215 234 ALA N N 116.996 0.027 1
589 216 235 ASP H H 7.688 0.001 1
590 216 235 ASP CA C 57.310 0.020 1
591 216 235 ASP CB C 41.695 0.020 1
592 216 235 ASP N N 116.418 0.010 1
593 217 236 VAL H H 7.477 0.005 1
594 217 236 VAL CA C 66.290 0.020 1
595 217 236 VAL CB C 31.581 0.020 1
596 217 236 VAL N N 121.476 0.001 1
597 218 237 GLU H H 9.145 0.006 1
598 218 237 GLU CA C 59.657 0.020 1
599 218 237 GLU CB C 30.785 0.020 1
600 218 237 GLU N N 121.438 0.010 1
601 219 238 SER H H 8.030 0.002 1
602 219 238 SER C C 174.475 0.020 1
603 219 238 SER CA C 59.516 0.020 1
604 219 238 SER CB C 62.845 0.020 1
605 219 238 SER N N 112.602 0.048 1
606 221 240 LEU CB C 41.072 0.020 1
607 222 241 ASN H H 8.718 0.005 1
608 222 241 ASN CA C 55.413 0.020 1
609 222 241 ASN CB C 38.249 0.020 1
610 222 241 ASN N N 117.490 0.041 1
611 223 242 GLU H H 8.178 0.003 1
612 223 242 GLU CA C 59.227 0.020 1
613 223 242 GLU CB C 28.468 0.020 1
614 223 242 GLU N N 124.722 0.010 1
615 224 243 TYR H H 6.875 0.002 1
616 224 243 TYR CA C 58.477 0.020 1
617 224 243 TYR CB C 39.630 0.020 1
618 224 243 TYR N N 114.353 0.037 1
619 225 244 GLY H H 7.934 0.002 1
620 225 244 GLY CA C 47.011 0.020 1
621 225 244 GLY N N 109.485 0.004 1
622 226 245 LEU H H 7.480 0.005 1
623 226 245 LEU CA C 55.816 0.020 1
624 226 245 LEU CB C 43.618 0.020 1
625 226 245 LEU N N 115.224 0.058 1
626 227 246 LEU H H 7.390 0.004 1
627 227 246 LEU C C 175.106 0.020 1
628 227 246 LEU CA C 50.941 0.020 1
629 227 246 LEU CB C 41.539 0.020 1
630 227 246 LEU N N 116.047 0.009 1
631 228 247 PRO CA C 62.286 0.020 1
632 228 247 PRO CB C 32.234 0.020 1
633 229 248 GLU C C 176.910 0.020 1
634 229 248 GLU CA C 57.013 0.020 1
635 229 248 GLU CB C 30.214 0.020 1
636 230 249 ARG H H 8.534 0.004 1
637 230 249 ARG C C 176.479 0.020 1
638 230 249 ARG CB C 30.980 0.020 1
639 230 249 ARG N N 123.196 0.019 1
640 231 250 GLU H H 8.445 0.001 1
641 231 250 GLU C C 175.972 0.020 1
642 231 250 GLU CA C 56.516 0.020 1
643 231 250 GLU CB C 30.268 0.020 1
644 231 250 GLU N N 122.411 0.008 1
645 232 251 ILE H H 8.250 0.001 1
646 232 251 ILE HA H 4.084 0.002 1
647 232 251 ILE HB H 1.754 0.002 1
648 232 251 ILE C C 175.957 0.020 1
649 232 251 ILE CA C 61.022 0.013 1
650 232 251 ILE CB C 38.741 0.143 1
651 232 251 ILE N N 122.759 0.002 1
652 233 252 HIS H H 8.550 0.005 1
653 233 252 HIS HB2 H 3.173 0.002 2
654 233 252 HIS HB3 H 3.173 0.002 2
655 233 252 HIS C C 174.163 0.020 1
656 233 252 HIS CA C 55.436 0.020 1
657 233 252 HIS CB C 30.023 0.083 1
658 233 252 HIS N N 123.555 0.017 1
659 234 253 ASP H H 8.424 0.001 1
660 234 253 ASP HA H 4.592 0.002 1
661 234 253 ASP HB2 H 2.658 0.002 2
662 234 253 ASP HB3 H 2.658 0.002 2
663 234 253 ASP C C 176.211 0.020 1
664 234 253 ASP CA C 54.361 0.020 1
665 234 253 ASP CB C 41.313 0.020 1
666 234 253 ASP N N 122.057 0.008 1
667 235 254 LEU H H 8.424 0.002 1
668 235 254 LEU HA H 4.294 0.002 1
669 235 254 LEU HB2 H 1.629 0.002 2
670 235 254 LEU HB3 H 1.629 0.002 2
671 235 254 LEU C C 178.141 0.020 1
672 235 254 LEU CA C 55.501 0.020 1
673 235 254 LEU CB C 42.115 0.020 1
674 235 254 LEU N N 123.583 0.005 1
675 236 255 GLY H H 8.523 0.002 1
676 236 255 GLY HA2 H 3.912 0.002 1
677 236 255 GLY HA3 H 3.912 0.002 1
678 236 255 GLY C C 174.209 0.020 1
679 236 255 GLY CA C 45.486 0.020 1
680 236 255 GLY N N 109.131 0.006 1
681 237 256 GLN H H 8.213 0.002 1
682 237 256 GLN HA H 4.405 0.002 1
683 237 256 GLN HB2 H 2.106 0.002 2
684 237 256 GLN HB3 H 2.106 0.002 2
685 237 256 GLN C C 176.202 0.020 1
686 237 256 GLN CA C 55.788 0.020 1
687 237 256 GLN CB C 29.581 0.020 1
688 237 256 GLN N N 119.778 0.013 1
689 238 257 THR H H 8.296 0.001 1
690 238 257 THR HA H 4.342 0.002 1
691 238 257 THR HB H 4.190 0.002 1
692 238 257 THR C C 174.202 0.020 1
693 238 257 THR CA C 61.932 0.020 1
694 238 257 THR CB C 69.916 0.020 1
695 238 257 THR N N 115.561 0.012 1
696 239 258 ASN H H 8.602 0.002 1
697 239 258 ASN HA H 4.818 0.002 1
698 239 258 ASN HB2 H 2.798 0.002 2
699 239 258 ASN HB3 H 2.798 0.002 2
700 239 258 ASN C C 175.452 0.020 1
701 239 258 ASN CA C 53.184 0.020 1
702 239 258 ASN CB C 39.012 0.020 1
703 239 258 ASN N N 121.617 0.014 1
704 240 259 THR H H 8.284 0.002 1
705 240 259 THR HA H 4.316 0.002 1
706 240 259 THR HB H 4.255 0.002 1
707 240 259 THR C C 174.782 0.020 1
708 240 259 THR CA C 62.113 0.020 1
709 240 259 THR CB C 69.625 0.020 1
710 240 259 THR N N 114.842 0.011 1
711 241 260 GLU H H 8.496 0.002 1
712 241 260 GLU HA H 4.289 0.002 1
713 241 260 GLU HB2 H 1.918 0.002 2
714 241 260 GLU HB3 H 1.918 0.002 2
715 241 260 GLU C C 176.277 0.020 1
716 241 260 GLU CA C 56.717 0.020 1
717 241 260 GLU CB C 30.177 0.020 1
718 241 260 GLU N N 122.589 0.010 1
719 242 261 ASP H H 8.306 0.002 1
720 242 261 ASP HA H 4.570 0.002 1
721 242 261 ASP HB2 H 2.563 0.002 2
722 242 261 ASP HB3 H 2.563 0.002 2
723 242 261 ASP C C 176.174 0.020 1
724 242 261 ASP CA C 54.635 0.020 1
725 242 261 ASP CB C 41.227 0.020 1
726 242 261 ASP N N 121.089 0.023 1
727 243 262 GLU H H 8.286 0.002 1
728 243 262 GLU HA H 4.258 0.002 1
729 243 262 GLU HB2 H 1.900 0.002 2
730 243 262 GLU HB3 H 1.900 0.002 2
731 243 262 GLU C C 176.100 0.020 1
732 243 262 GLU CA C 56.665 0.020 1
733 243 262 GLU CB C 30.679 0.020 1
734 243 262 GLU N N 120.872 0.014 1
735 244 263 ASP H H 8.455 0.001 1
736 244 263 ASP HA H 4.627 0.002 1
737 244 263 ASP HB2 H 2.562 0.002 2
738 244 263 ASP HB3 H 2.562 0.002 2
739 244 263 ASP C C 175.866 0.020 1
740 244 263 ASP CA C 54.379 0.020 1
741 244 263 ASP CB C 41.013 0.020 1
742 244 263 ASP N N 121.892 0.005 1
743 245 264 ILE H H 8.030 0.002 1
744 245 264 ILE HA H 4.191 0.002 1
745 245 264 ILE HB H 1.863 0.002 1
746 245 264 ILE C C 175.481 0.020 1
747 245 264 ILE CA C 61.121 0.020 1
748 245 264 ILE CB C 39.080 0.020 1
749 245 264 ILE N N 120.748 0.009 1
750 246 265 GLU H H 8.025 0.001 1
751 246 265 GLU C C 181.138 0.020 1
752 246 265 GLU CA C 58.224 0.020 1
753 246 265 GLU CB C 31.172 0.020 1
754 246 265 GLU N N 129.740 0.011 1
stop_
save_