data_25692
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
SOLUTION STRUCTURE OF OVIS ARIES PRP
;
_BMRB_accession_number 25692
_BMRB_flat_file_name bmr25692.str
_Entry_type original
_Submission_date 2015-07-06
_Accession_date 2015-07-06
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'SOLUTION STRUCTURE OF OVIS ARIES PRP'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Munoz Carola . .
2 Egalon Angelique . .
3 Beringue Vincent . .
4 Rezaei Human . .
5 Dron Michel . .
6 Sizun Christina . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 716
"15N chemical shifts" 148
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-08-12 update BMRB 'update entry citation'
2016-05-23 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
25250 'Solution structure of ovis Aries PrP with mutation delta190-197'
25251 'Solution structure of ovis Aries PrP with mutation delta193-196'
stop_
_Original_release_date 2016-05-23
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Generating Bona Fide Mammalian Prions with Internal Deletions
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27226369
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Munoz-Montesino Carola . .
2 Sizun Christina . .
3 Moudjou Mohammed . .
4 Herzog Laetitia . .
5 Reine Fabienne . .
6 Chapuis Jerome . .
7 Ciric Danica . .
8 Igel-Egalon Angelique . .
9 Laude Hubert . .
10 Beringue Vincent . .
11 Rezaei Human . .
12 Dron Michel . .
stop_
_Journal_abbreviation 'J. Virol.'
_Journal_volume 90
_Journal_issue 15
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 6963
_Page_last 6975
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'OVIS ARIES PRP'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 16263.355
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 206
_Mol_residue_sequence
;
MGSSHHHHHHSSGLVPRGSH
MSNKPSKPKTNMKHVAGAAA
AGAVVGGLGGYMLGSVMSRP
LIHFGNDYEDRYYRENMYRY
PNQVYYRPVDQYSNQNNFVH
DCVNITVKQHTVTTTTKGEN
FTETDIKIMERVVEQMCITQ
YQRESQAYYQRGASVNITVK
QHTVTTTTKGENFTETDIKI
MERVVEQMCITQYQRESQAY
YQRGAS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 81 MET 2 82 GLY 3 83 SER 4 84 SER 5 85 HIS
6 86 HIS 7 87 HIS 8 88 HIS 9 89 HIS 10 90 HIS
11 91 SER 12 92 SER 13 93 GLY 14 94 LEU 15 95 VAL
16 96 PRO 17 97 ARG 18 98 GLY 19 99 SER 20 100 HIS
21 101 MET 22 102 SER 23 103 ASN 24 104 LYS 25 105 PRO
26 106 SER 27 107 LYS 28 108 PRO 29 109 LYS 30 110 THR
31 111 ASN 32 112 MET 33 113 LYS 34 114 HIS 35 115 VAL
36 116 ALA 37 117 GLY 38 118 ALA 39 119 ALA 40 120 ALA
41 121 ALA 42 122 GLY 43 123 ALA 44 124 VAL 45 125 VAL
46 126 GLY 47 127 GLY 48 128 LEU 49 129 GLY 50 130 GLY
51 131 TYR 52 132 MET 53 133 LEU 54 134 GLY 55 135 SER
56 136 VAL 57 137 MET 58 138 SER 59 139 ARG 60 140 PRO
61 141 LEU 62 142 ILE 63 143 HIS 64 144 PHE 65 145 GLY
66 146 ASN 67 147 ASP 68 148 TYR 69 149 GLU 70 150 ASP
71 151 ARG 72 152 TYR 73 153 TYR 74 154 ARG 75 155 GLU
76 156 ASN 77 157 MET 78 158 TYR 79 159 ARG 80 160 TYR
81 161 PRO 82 162 ASN 83 163 GLN 84 164 VAL 85 165 TYR
86 166 TYR 87 167 ARG 88 168 PRO 89 169 VAL 90 170 ASP
91 171 GLN 92 172 TYR 93 173 SER 94 174 ASN 95 175 GLN
96 176 ASN 97 177 ASN 98 178 PHE 99 179 VAL 100 180 HIS
101 181 ASP 102 182 CYS 103 183 VAL 104 184 ASN 105 185 ILE
106 186 THR 107 187 VAL 108 188 LYS 109 189 GLN 110 190 HIS
111 191 THR 112 192 VAL 113 193 THR 114 194 THR 115 195 THR
116 196 THR 117 197 LYS 118 198 GLY 119 199 GLU 120 200 ASN
121 201 PHE 122 202 THR 123 203 GLU 124 204 THR 125 205 ASP
126 206 ILE 127 207 LYS 128 208 ILE 129 209 MET 130 210 GLU
131 211 ARG 132 212 VAL 133 213 VAL 134 214 GLU 135 215 GLN
136 216 MET 137 217 CYS 138 218 ILE 139 219 THR 140 220 GLN
141 221 TYR 142 222 GLN 143 223 ARG 144 224 GLU 145 225 SER
146 226 GLN 147 227 ALA 148 228 TYR 149 229 TYR 150 230 GLN
151 231 ARG 152 232 GLY 153 233 ALA 154 234 SER 155 235 VAL
156 236 ASN 157 237 ILE 158 238 THR 159 239 VAL 160 240 LYS
161 241 GLN 162 242 HIS 163 243 THR 164 244 VAL 165 245 THR
166 246 THR 167 247 THR 168 248 THR 169 249 LYS 170 250 GLY
171 251 GLU 172 252 ASN 173 253 PHE 174 254 THR 175 255 GLU
176 256 THR 177 257 ASP 178 258 ILE 179 259 LYS 180 260 ILE
181 261 MET 182 262 GLU 183 263 ARG 184 264 VAL 185 265 VAL
186 266 GLU 187 267 GLN 188 268 MET 189 269 CYS 190 270 ILE
191 271 THR 192 272 GLN 193 273 TYR 194 274 GLN 195 275 ARG
196 276 GLU 197 277 SER 198 278 GLN 199 279 ALA 200 280 TYR
201 281 TYR 202 282 GLN 203 283 ARG 204 284 GLY 205 285 ALA
206 286 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
GB CAA04276 . . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Variant
_Gene_mnemonic
$entity sheep 9940 Eukaryota Metazoa Ovis aries VRQ 'PRNP prion protein, PrP'
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
$entity 'recombinant technology' . Escherichia coli BL21(DE3) pEt22b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_N15_H2O
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.3 mM '[U-99% 15N]'
'Sodium acetate' 10.0 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CcpNmr_Analysis
_Saveframe_category software
_Name CcpNmr_Analysis
_Version 2.2
loop_
_Vendor
_Address
_Electronic_address
CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk
stop_
loop_
_Task
'Assignment and NMR data analysis'
stop_
_Details 'The CCPN NMR assignment and data analysis application'
save_
save_Cyana
_Saveframe_category software
_Name Cyana
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Peter Guntert' 'University of Frankfurt, DE' http://www.cyana.org
stop_
loop_
_Task
'Structure calculation'
stop_
_Details 'Structure calculation'
save_
save_Talos+
_Saveframe_category software
_Name Talos+
_Version 1.0
loop_
_Vendor
_Address
_Electronic_address
'Yang Shen' 'NIDDK, Bethesda, Bethesda, MD 20892-2560, USA' http://spin.niddk.nih.gov/TALOS
stop_
loop_
_Task
'Secondary structure prediction'
stop_
_Details 'Secondary structure prediction'
save_
save_Topspin
_Saveframe_category software
_Name Topspin
_Version 3.1
loop_
_Vendor
_Address
_Electronic_address
Bruker 'Bruker France, 67160 Wissembourg, FR' http://www.bruker.com/products/mr/nmr.html
stop_
loop_
_Task
'NMR data processing'
stop_
_Details 'NMR data processing'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_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 $N15_H2O
save_
save_3D_1H-15N_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $N15_H2O
save_
save_3D_1H-15N_TOCSY_20ms_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY 20ms'
_Sample_label $N15_H2O
save_
save_3D_1H-15N_TOCSY_50ms_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY 50ms'
_Sample_label $N15_H2O
save_
save_2D_1H-1H_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $N15_H2O
save_
#######################
# Sample conditions #
#######################
save_condition1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0 . M
pH 5.300 0.1 pH
pressure 1.000 . atm
temperature 298.000 0.1 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 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
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CcpNmr_Analysis
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D 1H-15N NOESY'
'3D 1H-15N TOCSY 20ms'
'3D 1H-15N TOCSY 50ms'
'2D 1H-1H NOESY'
stop_
loop_
_Sample_label
$N15_H2O
stop_
_Sample_conditions_label $condition1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity
_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 92 12 SER H H 8.53 0.02 1
2 92 12 SER HA H 4.46 0.02 1
3 92 12 SER HB2 H 3.88 0.02 1
4 92 12 SER HB3 H 3.88 0.02 1
5 92 12 SER N N 118.37 0.15 1
6 93 13 GLY H H 8.40 0.02 1
7 93 13 GLY HA2 H 3.95 0.02 2
8 93 13 GLY HA3 H 3.96 0.02 2
9 93 13 GLY N N 110.59 0.15 1
10 94 14 LEU H H 8.09 0.02 1
11 94 14 LEU HA H 4.34 0.02 1
12 94 14 LEU HB2 H 1.55 0.02 2
13 94 14 LEU HB3 H 1.55 0.02 2
14 94 14 LEU N N 121.81 0.15 1
15 95 15 VAL H H 8.19 0.02 1
16 95 15 VAL HA H 4.36 0.02 1
17 95 15 VAL HB H 2.03 0.02 1
18 95 15 VAL HG1 H 0.92 0.02 1
19 95 15 VAL HG2 H 0.92 0.02 1
20 95 15 VAL N N 123.56 0.15 1
21 96 16 PRO HA H 4.38 0.02 1
22 97 17 ARG H H 8.48 0.02 1
23 97 17 ARG HA H 4.30 0.02 1
24 97 17 ARG HB2 H 1.76 0.02 2
25 97 17 ARG HB3 H 1.86 0.02 2
26 97 17 ARG HG2 H 1.62 0.02 1
27 97 17 ARG HG3 H 1.62 0.02 1
28 97 17 ARG HD2 H 3.25 0.02 1
29 97 17 ARG HD3 H 3.25 0.02 1
30 97 17 ARG N N 122.05 0.15 1
31 98 18 GLY H H 8.46 0.02 1
32 98 18 GLY HA2 H 3.96 0.02 2
33 98 18 GLY HA3 H 3.96 0.02 2
34 98 18 GLY N N 110.21 0.15 1
35 99 19 SER H H 8.21 0.02 1
36 99 19 SER HA H 4.41 0.02 1
37 99 19 SER HB2 H 3.81 0.02 1
38 99 19 SER HB3 H 3.81 0.02 1
39 99 19 SER N N 115.42 0.15 1
40 100 20 HIS H H 8.59 0.02 1
41 100 20 HIS HA H 4.69 0.02 1
42 100 20 HIS N N 120.68 0.15 1
43 101 21 MET H H 8.36 0.02 1
44 101 21 MET HA H 4.46 0.02 1
45 101 21 MET HB2 H 1.94 0.02 2
46 101 21 MET HB3 H 2.05 0.02 2
47 101 21 MET N N 121.82 0.15 1
48 102 22 SER H H 8.40 0.02 1
49 102 22 SER HA H 4.44 0.02 1
50 102 22 SER HB2 H 3.84 0.02 2
51 102 22 SER HB3 H 3.84 0.02 2
52 102 22 SER N N 117.19 0.15 1
53 103 23 ASN H H 8.46 0.02 1
54 103 23 ASN HA H 4.71 0.02 1
55 103 23 ASN HB2 H 2.75 0.02 1
56 103 23 ASN HB3 H 2.75 0.02 1
57 103 23 ASN N N 121.04 0.15 1
58 104 24 LYS H H 8.26 0.02 1
59 104 24 LYS HA H 4.58 0.02 1
60 104 24 LYS HB2 H 1.68 0.02 2
61 104 24 LYS HB3 H 1.79 0.02 2
62 104 24 LYS HG2 H 1.44 0.02 1
63 104 24 LYS HG3 H 1.44 0.02 1
64 104 24 LYS HD2 H 1.68 0.02 1
65 104 24 LYS HD3 H 1.68 0.02 1
66 104 24 LYS N N 122.78 0.15 1
67 105 25 PRO HA H 4.44 0.02 1
68 106 26 SER H H 8.46 0.02 1
69 106 26 SER HA H 4.42 0.02 1
70 106 26 SER HB2 H 3.82 0.02 1
71 106 26 SER HB3 H 3.82 0.02 1
72 106 26 SER N N 117.00 0.15 1
73 107 27 LYS H H 8.34 0.02 1
74 107 27 LYS HA H 4.60 0.02 1
75 107 27 LYS HB2 H 1.80 0.02 2
76 107 27 LYS HB3 H 1.70 0.02 2
77 107 27 LYS HG2 H 1.46 0.02 1
78 107 27 LYS HG3 H 1.46 0.02 1
79 107 27 LYS HD2 H 1.70 0.02 1
80 107 27 LYS HD3 H 1.70 0.02 1
81 107 27 LYS N N 124.20 0.15 1
82 108 28 PRO HA H 4.41 0.02 1
83 109 29 LYS H H 8.52 0.02 1
84 109 29 LYS HA H 4.33 0.02 1
85 109 29 LYS HB2 H 1.86 0.02 2
86 109 29 LYS HB3 H 1.74 0.02 2
87 109 29 LYS HG2 H 1.48 0.02 1
88 109 29 LYS HG3 H 1.48 0.02 1
89 109 29 LYS N N 122.08 0.15 1
90 110 30 THR H H 8.14 0.02 1
91 110 30 THR HA H 4.32 0.02 1
92 110 30 THR HB H 4.16 0.02 1
93 110 30 THR HG2 H 1.17 0.02 1
94 110 30 THR N N 115.31 0.15 1
95 111 31 ASN H H 8.54 0.02 1
96 111 31 ASN HA H 4.71 0.02 1
97 111 31 ASN HB2 H 2.73 0.02 2
98 111 31 ASN HB3 H 2.81 0.02 2
99 111 31 ASN N N 121.37 0.15 1
100 112 32 MET H H 8.35 0.02 1
101 112 32 MET HA H 4.43 0.02 1
102 112 32 MET HB2 H 1.93 0.02 2
103 112 32 MET HB3 H 2.04 0.02 2
104 112 32 MET HG2 H 2.51 0.02 1
105 112 32 MET HG3 H 2.51 0.02 1
106 112 32 MET N N 121.23 0.15 1
107 113 33 LYS H H 8.30 0.02 1
108 113 33 LYS HA H 4.24 0.02 1
109 113 33 LYS HB2 H 1.71 0.02 2
110 113 33 LYS HB3 H 1.74 0.02 2
111 113 33 LYS HG2 H 1.37 0.02 2
112 113 33 LYS HG3 H 1.34 0.02 2
113 113 33 LYS N N 122.47 0.15 1
114 114 34 HIS H H 8.50 0.02 1
115 114 34 HIS HA H 4.68 0.02 1
116 114 34 HIS HB2 H 3.14 0.02 2
117 114 34 HIS HB3 H 3.11 0.02 2
118 114 34 HIS N N 120.61 0.15 1
119 115 35 VAL H H 8.18 0.02 1
120 115 35 VAL HA H 4.09 0.02 1
121 115 35 VAL HB H 2.00 0.02 1
122 115 35 VAL HG1 H 0.89 0.02 2
123 115 35 VAL HG2 H 0.86 0.02 2
124 115 35 VAL N N 122.72 0.15 1
125 116 36 ALA H H 8.46 0.02 1
126 116 36 ALA HA H 4.29 0.02 1
127 116 36 ALA HB H 1.38 0.02 1
128 116 36 ALA N N 128.26 0.15 1
129 117 37 GLY H H 8.37 0.02 1
130 117 37 GLY HA2 H 3.92 0.02 2
131 117 37 GLY HA3 H 3.92 0.02 2
132 117 37 GLY N N 108.68 0.15 1
133 118 38 ALA H H 8.15 0.02 1
134 118 38 ALA HA H 4.28 0.02 1
135 118 38 ALA HB H 1.36 0.02 1
136 118 38 ALA N N 123.85 0.15 1
137 119 39 ALA H H 8.29 0.02 1
138 119 39 ALA HA H 4.26 0.02 1
139 119 39 ALA HB H 1.35 0.02 1
140 119 39 ALA N N 123.27 0.15 1
141 120 40 ALA H H 8.21 0.02 1
142 120 40 ALA HA H 4.26 0.02 1
143 120 40 ALA HB H 1.35 0.02 1
144 120 40 ALA N N 123.36 0.15 1
145 121 41 ALA H H 8.23 0.02 1
146 121 41 ALA HA H 4.28 0.02 1
147 121 41 ALA HB H 1.37 0.02 1
148 121 41 ALA N N 123.30 0.15 1
149 122 42 GLY H H 8.27 0.02 1
150 122 42 GLY HA2 H 3.92 0.02 2
151 122 42 GLY HA3 H 3.91 0.02 2
152 122 42 GLY N N 107.91 0.15 1
153 123 43 ALA H H 8.06 0.02 1
154 123 43 ALA HA H 4.34 0.02 1
155 123 43 ALA HB H 1.34 0.02 1
156 123 43 ALA N N 123.52 0.15 1
157 124 44 VAL H H 8.12 0.02 1
158 124 44 VAL HA H 4.11 0.02 1
159 124 44 VAL HB H 1.99 0.02 1
160 124 44 VAL HG1 H 0.87 0.02 1
161 124 44 VAL HG2 H 0.87 0.02 1
162 124 44 VAL N N 119.56 0.15 1
163 125 45 VAL H H 8.26 0.02 1
164 125 45 VAL HA H 4.07 0.02 1
165 125 45 VAL HB H 2.00 0.02 1
166 125 45 VAL HG1 H 0.87 0.02 2
167 125 45 VAL HG2 H 0.88 0.02 2
168 125 45 VAL N N 124.58 0.15 1
169 126 46 GLY H H 8.55 0.02 1
170 126 46 GLY HA2 H 3.89 0.02 2
171 126 46 GLY HA3 H 3.94 0.02 2
172 126 46 GLY N N 113.25 0.15 1
173 127 47 GLY H H 8.26 0.02 1
174 127 47 GLY HA2 H 3.94 0.02 2
175 127 47 GLY HA3 H 3.94 0.02 2
176 127 47 GLY N N 108.35 0.15 1
177 128 48 LEU H H 8.19 0.02 1
178 128 48 LEU HA H 4.34 0.02 1
179 128 48 LEU HB2 H 1.51 0.02 2
180 128 48 LEU HB3 H 1.55 0.02 2
181 128 48 LEU HD1 H 0.62 0.02 2
182 128 48 LEU HD2 H 0.54 0.02 2
183 128 48 LEU N N 121.71 0.15 1
184 129 49 GLY H H 8.52 0.02 1
185 129 49 GLY HA2 H 3.83 0.02 2
186 129 49 GLY HA3 H 3.92 0.02 2
187 129 49 GLY N N 109.72 0.15 1
188 130 50 GLY H H 8.36 0.02 1
189 130 50 GLY HA2 H 3.89 0.02 2
190 130 50 GLY HA3 H 3.75 0.02 2
191 130 50 GLY N N 109.15 0.15 1
192 131 51 TYR H H 7.80 0.02 1
193 131 51 TYR HA H 4.42 0.02 1
194 131 51 TYR HB2 H 2.90 0.02 2
195 131 51 TYR HB3 H 2.82 0.02 2
196 131 51 TYR HD1 H 6.81 0.02 3
197 131 51 TYR HD2 H 6.81 0.02 3
198 131 51 TYR HE1 H 6.62 0.02 3
199 131 51 TYR HE2 H 6.62 0.02 3
200 131 51 TYR N N 117.85 0.15 1
201 132 52 MET H H 9.10 0.02 1
202 132 52 MET HA H 4.50 0.02 1
203 132 52 MET HB2 H 1.57 0.02 2
204 132 52 MET HB3 H 0.94 0.02 2
205 132 52 MET HG2 H 2.21 0.02 1
206 132 52 MET HG3 H 2.21 0.02 1
207 132 52 MET N N 121.24 0.15 1
208 133 53 LEU H H 8.06 0.02 1
209 133 53 LEU HA H 4.51 0.02 1
210 133 53 LEU HB2 H 0.96 0.02 2
211 133 53 LEU HB3 H 1.59 0.02 2
212 133 53 LEU HG H 1.35 0.02 1
213 133 53 LEU HD1 H 0.59 0.02 2
214 133 53 LEU HD2 H -0.04 0.02 2
215 133 53 LEU N N 121.25 0.15 1
216 134 54 GLY H H 9.38 0.02 1
217 134 54 GLY HA2 H 4.42 0.02 2
218 134 54 GLY HA3 H 4.07 0.02 2
219 134 54 GLY N N 114.95 0.15 1
220 135 55 SER H H 8.29 0.02 1
221 135 55 SER HA H 4.43 0.02 1
222 135 55 SER HB2 H 4.05 0.02 2
223 135 55 SER HB3 H 3.92 0.02 2
224 135 55 SER N N 113.12 0.15 1
225 136 56 VAL H H 8.46 0.02 1
226 136 56 VAL HA H 4.02 0.02 1
227 136 56 VAL HB H 1.88 0.02 1
228 136 56 VAL HG1 H 0.91 0.02 2
229 136 56 VAL HG2 H 0.85 0.02 2
230 136 56 VAL N N 121.99 0.15 1
231 137 57 MET H H 8.85 0.02 1
232 137 57 MET HA H 4.76 0.02 1
233 137 57 MET HB2 H 2.00 0.02 1
234 137 57 MET HB3 H 2.00 0.02 1
235 137 57 MET HG2 H 2.39 0.02 2
236 137 57 MET HG3 H 2.46 0.02 2
237 137 57 MET N N 126.19 0.15 1
238 138 58 SER H H 8.40 0.02 1
239 138 58 SER HA H 4.31 0.02 1
240 138 58 SER HB2 H 3.72 0.02 2
241 138 58 SER HB3 H 3.82 0.02 2
242 138 58 SER N N 116.25 0.15 1
243 139 59 ARG H H 8.62 0.02 1
244 139 59 ARG HA H 4.38 0.02 1
245 139 59 ARG HB2 H 1.66 0.02 1
246 139 59 ARG HB3 H 1.66 0.02 1
247 139 59 ARG HG2 H 1.83 0.02 1
248 139 59 ARG HG3 H 1.83 0.02 1
249 139 59 ARG HD3 H 3.15 0.02 1
250 139 59 ARG N N 126.25 0.15 1
251 140 60 PRO HA H 4.36 0.02 1
252 140 60 PRO HD2 H 3.83 0.02 2
253 140 60 PRO HD3 H 3.71 0.02 2
254 141 61 LEU H H 8.69 0.02 1
255 141 61 LEU HA H 4.56 0.02 1
256 141 61 LEU HB2 H 1.63 0.02 2
257 141 61 LEU HB3 H 1.52 0.02 2
258 141 61 LEU HG H 1.63 0.02 1
259 141 61 LEU HD1 H 0.86 0.02 2
260 141 61 LEU HD2 H 0.90 0.02 2
261 141 61 LEU N N 125.26 0.15 1
262 142 62 ILE H H 6.95 0.02 1
263 142 62 ILE HA H 3.92 0.02 1
264 142 62 ILE HB H 1.12 0.02 1
265 142 62 ILE HG12 H 0.85 0.02 2
266 142 62 ILE HG13 H 0.67 0.02 2
267 142 62 ILE HG2 H -0.01 0.02 1
268 142 62 ILE HD1 H 0.39 0.02 1
269 142 62 ILE N N 122.17 0.15 1
270 143 63 HIS H H 8.31 0.02 1
271 143 63 HIS HA H 4.92 0.02 1
272 143 63 HIS HB2 H 3.29 0.02 2
273 143 63 HIS HB3 H 2.97 0.02 2
274 143 63 HIS N N 121.91 0.15 1
275 144 64 PHE H H 10.30 0.02 1
276 144 64 PHE HA H 4.21 0.02 1
277 144 64 PHE HB2 H 3.30 0.02 2
278 144 64 PHE HB3 H 2.84 0.02 2
279 144 64 PHE HD1 H 7.37 0.02 3
280 144 64 PHE HD2 H 7.37 0.02 3
281 144 64 PHE HE1 H 6.89 0.02 3
282 144 64 PHE HE2 H 6.89 0.02 3
283 144 64 PHE HZ H 6.54 0.02 1
284 144 64 PHE N N 125.27 0.15 1
285 145 65 GLY H H 9.02 0.02 1
286 145 65 GLY HA2 H 3.71 0.02 2
287 145 65 GLY HA3 H 4.11 0.02 2
288 145 65 GLY N N 108.72 0.15 1
289 146 66 ASN H H 7.26 0.02 1
290 146 66 ASN HA H 4.85 0.02 1
291 146 66 ASN HB2 H 2.79 0.02 2
292 146 66 ASN HB3 H 2.82 0.02 2
293 146 66 ASN HD21 H 7.51 0.02 1
294 146 66 ASN HD22 H 7.53 0.02 1
295 146 66 ASN N N 114.38 0.15 1
296 146 66 ASN ND2 N 116.20 0.15 1
297 147 67 ASP H H 8.96 0.02 1
298 147 67 ASP HA H 4.42 0.02 1
299 147 67 ASP HB2 H 2.70 0.02 1
300 147 67 ASP HB3 H 2.70 0.02 1
301 147 67 ASP N N 123.38 0.15 1
302 148 68 TYR H H 8.37 0.02 1
303 148 68 TYR HA H 4.20 0.02 1
304 148 68 TYR HB2 H 3.21 0.02 2
305 148 68 TYR HB3 H 3.05 0.02 2
306 148 68 TYR HD1 H 7.05 0.02 3
307 148 68 TYR HD2 H 7.05 0.02 3
308 148 68 TYR HE1 H 6.72 0.02 3
309 148 68 TYR HE2 H 6.72 0.02 3
310 148 68 TYR N N 120.14 0.15 1
311 149 69 GLU H H 8.32 0.02 1
312 149 69 GLU HA H 3.52 0.02 1
313 149 69 GLU HB2 H 1.37 0.02 2
314 149 69 GLU HB3 H 1.91 0.02 2
315 149 69 GLU HG2 H 1.85 0.02 2
316 149 69 GLU HG3 H 2.45 0.02 2
317 149 69 GLU N N 119.66 0.15 1
318 150 70 ASP H H 7.97 0.02 1
319 150 70 ASP HA H 4.67 0.02 1
320 150 70 ASP HB2 H 2.93 0.02 2
321 150 70 ASP HB3 H 2.83 0.02 2
322 150 70 ASP N N 118.31 0.15 1
323 151 71 ARG H H 8.08 0.02 1
324 151 71 ARG HA H 3.99 0.02 1
325 151 71 ARG HB2 H 1.89 0.02 2
326 151 71 ARG HB3 H 1.93 0.02 2
327 151 71 ARG HG2 H 1.52 0.02 2
328 151 71 ARG HG3 H 1.73 0.02 2
329 151 71 ARG N N 120.13 0.15 1
330 152 72 TYR H H 8.46 0.02 1
331 152 72 TYR HA H 3.83 0.02 1
332 152 72 TYR HB2 H 2.56 0.02 2
333 152 72 TYR HB3 H 2.73 0.02 2
334 152 72 TYR HD1 H 6.82 0.02 3
335 152 72 TYR HD2 H 6.82 0.02 3
336 152 72 TYR HE1 H 6.89 0.02 3
337 152 72 TYR HE2 H 6.89 0.02 3
338 152 72 TYR N N 121.20 0.15 1
339 153 73 TYR H H 8.83 0.02 1
340 153 73 TYR HA H 4.28 0.02 1
341 153 73 TYR HB2 H 3.21 0.02 1
342 153 73 TYR HB3 H 3.21 0.02 1
343 153 73 TYR HD1 H 7.30 0.02 3
344 153 73 TYR HD2 H 7.30 0.02 3
345 153 73 TYR HE1 H 6.91 0.02 3
346 153 73 TYR HE2 H 6.91 0.02 3
347 153 73 TYR N N 119.24 0.15 1
348 154 74 ARG H H 7.62 0.02 1
349 154 74 ARG HA H 3.67 0.02 1
350 154 74 ARG HB2 H 1.91 0.02 1
351 154 74 ARG HB3 H 1.91 0.02 1
352 154 74 ARG HG2 H 1.91 0.02 2
353 154 74 ARG HG3 H 1.67 0.02 2
354 154 74 ARG N N 116.81 0.15 1
355 155 75 GLU H H 7.98 0.02 1
356 155 75 GLU HA H 4.08 0.02 1
357 155 75 GLU HB2 H 1.86 0.02 2
358 155 75 GLU HB3 H 1.90 0.02 2
359 155 75 GLU HG2 H 2.23 0.02 2
360 155 75 GLU HG3 H 2.42 0.02 2
361 155 75 GLU N N 115.70 0.15 1
362 156 76 ASN H H 7.56 0.02 1
363 156 76 ASN HA H 4.59 0.02 1
364 156 76 ASN HB2 H 2.29 0.02 2
365 156 76 ASN HB3 H 2.22 0.02 2
366 156 76 ASN HD21 H 6.55 0.02 1
367 156 76 ASN HD22 H 6.80 0.02 1
368 156 76 ASN N N 115.13 0.15 1
369 156 76 ASN ND2 N 116.83 0.15 1
370 157 77 MET H H 7.57 0.02 1
371 157 77 MET HA H 3.65 0.02 1
372 157 77 MET HB2 H 1.70 0.02 2
373 157 77 MET HB3 H 1.62 0.02 2
374 157 77 MET HG2 H 1.94 0.02 2
375 157 77 MET HG3 H 2.08 0.02 2
376 157 77 MET N N 120.07 0.15 1
377 158 78 TYR H H 7.56 0.02 1
378 158 78 TYR HA H 4.20 0.02 1
379 158 78 TYR HB2 H 2.98 0.02 2
380 158 78 TYR HB3 H 3.04 0.02 2
381 158 78 TYR HD1 H 7.07 0.02 3
382 158 78 TYR HD2 H 7.07 0.02 3
383 158 78 TYR HE1 H 6.87 0.02 3
384 158 78 TYR HE2 H 6.87 0.02 3
385 158 78 TYR N N 114.54 0.15 1
386 159 79 ARG H H 7.55 0.02 1
387 159 79 ARG HA H 4.06 0.02 1
388 159 79 ARG HB3 H 1.61 0.02 1
389 159 79 ARG HG2 H 0.62 0.02 2
390 159 79 ARG HG3 H 1.22 0.02 2
391 159 79 ARG HD2 H 3.18 0.02 2
392 159 79 ARG HD3 H 3.03 0.02 2
393 159 79 ARG N N 118.87 0.15 1
394 160 80 TYR H H 7.45 0.02 1
395 160 80 TYR HA H 4.95 0.02 1
396 160 80 TYR HB2 H 3.04 0.02 2
397 160 80 TYR HB3 H 3.18 0.02 2
398 160 80 TYR HD1 H 7.01 0.02 3
399 160 80 TYR HD2 H 7.01 0.02 3
400 160 80 TYR HE1 H 6.65 0.02 3
401 160 80 TYR HE2 H 6.65 0.02 3
402 160 80 TYR N N 120.32 0.15 1
403 161 81 PRO HA H 4.40 0.02 1
404 161 81 PRO HD2 H 3.67 0.02 1
405 162 82 ASN H H 8.54 0.02 1
406 162 82 ASN HA H 4.64 0.02 1
407 162 82 ASN HB2 H 3.70 0.02 2
408 162 82 ASN HB3 H 2.44 0.02 2
409 162 82 ASN HD21 H 6.77 0.02 1
410 162 82 ASN HD22 H 7.44 0.02 1
411 162 82 ASN N N 115.51 0.15 1
412 162 82 ASN ND2 N 108.67 0.15 1
413 163 83 GLN H H 7.30 0.02 1
414 163 83 GLN HA H 4.51 0.02 1
415 163 83 GLN HB2 H 2.00 0.02 2
416 163 83 GLN HB3 H 1.68 0.02 2
417 163 83 GLN HG2 H 2.18 0.02 2
418 163 83 GLN HG3 H 2.00 0.02 2
419 163 83 GLN HE21 H 8.05 0.02 1
420 163 83 GLN HE22 H 6.99 0.02 1
421 163 83 GLN N N 112.99 0.15 1
422 163 83 GLN NE2 N 113.28 0.15 1
423 164 84 VAL H H 8.59 0.02 1
424 164 84 VAL HA H 4.91 0.02 1
425 164 84 VAL HB H 2.59 0.02 1
426 164 84 VAL HG1 H 0.90 0.02 2
427 164 84 VAL HG2 H 0.74 0.02 2
428 164 84 VAL N N 112.65 0.15 1
429 165 85 TYR H H 8.44 0.02 1
430 165 85 TYR HA H 5.56 0.02 1
431 165 85 TYR HB2 H 2.60 0.02 2
432 165 85 TYR HB3 H 2.56 0.02 2
433 165 85 TYR HD1 H 6.88 0.02 3
434 165 85 TYR HD2 H 6.88 0.02 3
435 165 85 TYR HE1 H 6.75 0.02 3
436 165 85 TYR HE2 H 6.75 0.02 3
437 165 85 TYR N N 121.20 0.15 1
438 166 86 TYR H H 8.58 0.02 1
439 166 86 TYR HA H 4.80 0.02 1
440 166 86 TYR HB2 H 2.64 0.02 2
441 166 86 TYR HB3 H 2.77 0.02 2
442 166 86 TYR HD1 H 7.10 0.02 3
443 166 86 TYR HD2 H 7.10 0.02 3
444 166 86 TYR HE1 H 6.46 0.02 3
445 166 86 TYR HE2 H 6.46 0.02 3
446 166 86 TYR N N 111.09 0.15 1
447 168 88 PRO HA H 4.58 0.02 1
448 169 89 VAL H H 8.58 0.02 1
449 169 89 VAL HA H 4.23 0.02 1
450 169 89 VAL HB H 1.98 0.02 1
451 169 89 VAL HG1 H 0.73 0.02 1
452 169 89 VAL HG2 H 0.73 0.02 1
453 169 89 VAL N N 119.11 0.15 1
454 171 91 GLN H H 7.94 0.02 1
455 171 91 GLN HA H 4.42 0.02 1
456 171 91 GLN HB2 H 1.73 0.02 2
457 171 91 GLN HB3 H 1.64 0.02 2
458 171 91 GLN N N 120.29 0.15 1
459 174 94 ASN HB2 H 2.99 0.02 2
460 174 94 ASN HB3 H 3.13 0.02 2
461 174 94 ASN HD21 H 7.50 0.02 1
462 174 94 ASN HD22 H 6.68 0.02 1
463 174 94 ASN N N 113.43 0.15 1
464 174 94 ASN ND2 N 113.45 0.15 1
465 175 95 GLN H H 8.62 0.02 1
466 175 95 GLN HB2 H 1.63 0.02 2
467 175 95 GLN HB3 H 1.54 0.02 2
468 175 95 GLN HG2 H 1.80 0.02 1
469 175 95 GLN HE21 H 6.87 0.02 1
470 175 95 GLN HE22 H 7.21 0.02 1
471 175 95 GLN N N 119.88 0.15 1
472 175 95 GLN NE2 N 111.68 0.15 1
473 176 96 ASN H H 8.41 0.02 1
474 176 96 ASN HA H 4.21 0.02 1
475 176 96 ASN HB2 H 2.74 0.02 2
476 176 96 ASN HB3 H 2.63 0.02 2
477 176 96 ASN HD21 H 7.56 0.02 1
478 176 96 ASN HD22 H 6.89 0.02 1
479 176 96 ASN N N 117.32 0.15 1
480 176 96 ASN ND2 N 112.56 0.15 1
481 177 97 ASN H H 8.58 0.02 1
482 177 97 ASN HA H 4.56 0.02 1
483 177 97 ASN HB2 H 2.91 0.02 2
484 177 97 ASN HB3 H 3.14 0.02 2
485 177 97 ASN HD21 H 7.65 0.02 1
486 177 97 ASN HD22 H 7.15 0.02 1
487 177 97 ASN N N 118.52 0.15 1
488 177 97 ASN ND2 N 111.72 0.15 1
489 178 98 PHE HD1 H 6.67 0.02 3
490 178 98 PHE HD2 H 6.67 0.02 3
491 178 98 PHE HE1 H 7.82 0.02 3
492 178 98 PHE HE2 H 7.82 0.02 3
493 178 98 PHE HZ H 7.23 0.02 1
494 179 99 VAL H H 8.90 0.02 1
495 179 99 VAL HA H 3.44 0.02 1
496 179 99 VAL HB H 2.20 0.02 1
497 179 99 VAL HG1 H 1.04 0.02 1
498 179 99 VAL HG2 H 1.04 0.02 1
499 179 99 VAL N N 120.29 0.15 1
500 180 100 HIS H H 8.38 0.02 1
501 180 100 HIS HA H 4.32 0.02 1
502 180 100 HIS HB2 H 3.42 0.02 2
503 180 100 HIS HB3 H 3.34 0.02 2
504 180 100 HIS N N 116.69 0.15 1
505 181 101 ASP H H 7.48 0.02 1
506 181 101 ASP HA H 4.55 0.02 1
507 181 101 ASP HB2 H 2.94 0.02 1
508 181 101 ASP HB3 H 2.94 0.02 1
509 181 101 ASP N N 118.46 0.15 1
510 182 102 CYS H H 8.07 0.02 1
511 182 102 CYS HA H 4.69 0.02 1
512 182 102 CYS HB2 H 2.92 0.02 2
513 182 102 CYS HB3 H 3.24 0.02 2
514 182 102 CYS N N 119.16 0.15 1
515 183 103 VAL H H 9.20 0.02 1
516 183 103 VAL HA H 3.66 0.02 1
517 183 103 VAL HB H 2.14 0.02 1
518 183 103 VAL HG1 H 1.05 0.02 2
519 183 103 VAL HG2 H 0.94 0.02 2
520 183 103 VAL N N 124.52 0.15 1
521 184 104 ASN H H 7.65 0.02 1
522 184 104 ASN HA H 4.30 0.02 1
523 184 104 ASN HB2 H 2.76 0.02 2
524 184 104 ASN HB3 H 2.84 0.02 2
525 184 104 ASN HD21 H 6.94 0.02 1
526 184 104 ASN HD22 H 7.58 0.02 1
527 184 104 ASN N N 116.56 0.15 1
528 184 104 ASN ND2 N 112.51 0.15 1
529 185 105 ILE H H 8.60 0.02 1
530 185 105 ILE HA H 3.76 0.02 1
531 185 105 ILE HB H 1.55 0.02 1
532 185 105 ILE HG12 H 0.81 0.02 1
533 185 105 ILE HG13 H 0.81 0.02 1
534 185 105 ILE HG2 H 0.25 0.02 1
535 185 105 ILE HD1 H 0.39 0.02 1
536 185 105 ILE N N 117.93 0.15 1
537 186 106 THR H H 8.15 0.02 1
538 186 106 THR HA H 4.07 0.02 1
539 186 106 THR HB H 4.49 0.02 1
540 186 106 THR HG1 H 6.30 0.02 1
541 186 106 THR HG2 H 1.54 0.02 1
542 186 106 THR N N 118.22 0.15 1
543 187 107 VAL H H 8.78 0.02 1
544 187 107 VAL HA H 3.59 0.02 1
545 187 107 VAL HB H 2.28 0.02 1
546 187 107 VAL HG1 H 0.93 0.02 2
547 187 107 VAL HG2 H 1.01 0.02 2
548 187 107 VAL N N 120.97 0.15 1
549 188 108 LYS H H 7.87 0.02 1
550 188 108 LYS HA H 4.04 0.02 1
551 188 108 LYS HB2 H 1.96 0.02 2
552 188 108 LYS HB3 H 1.86 0.02 2
553 188 108 LYS HG2 H 1.49 0.02 2
554 188 108 LYS HG3 H 1.45 0.02 2
555 188 108 LYS HD2 H 1.60 0.02 1
556 188 108 LYS HD3 H 1.60 0.02 1
557 188 108 LYS N N 121.55 0.15 1
558 189 109 GLN H H 8.52 0.02 1
559 189 109 GLN HA H 4.04 0.02 1
560 189 109 GLN HB2 H 2.01 0.02 2
561 189 109 GLN HB3 H 1.96 0.02 2
562 189 109 GLN HG2 H 1.78 0.02 2
563 189 109 GLN HG3 H 2.11 0.02 2
564 189 109 GLN HE21 H 6.68 0.02 1
565 189 109 GLN HE22 H 6.90 0.02 1
566 189 109 GLN N N 117.00 0.15 1
567 189 109 GLN NE2 N 110.01 0.15 1
568 190 110 HIS H H 8.31 0.02 1
569 190 110 HIS HA H 4.58 0.02 1
570 190 110 HIS HB2 H 3.17 0.02 2
571 190 110 HIS HB3 H 3.35 0.02 2
572 190 110 HIS N N 118.71 0.15 1
573 191 111 THR H H 8.25 0.02 1
574 191 111 THR HA H 4.08 0.02 1
575 191 111 THR HB H 4.42 0.02 1
576 191 111 THR HG2 H 1.19 0.02 1
577 191 111 THR N N 113.40 0.15 1
578 192 112 VAL H H 8.06 0.02 1
579 192 112 VAL HA H 3.94 0.02 1
580 192 112 VAL HB H 2.20 0.02 1
581 192 112 VAL HG1 H 1.02 0.02 2
582 192 112 VAL HG2 H 0.94 0.02 2
583 192 112 VAL N N 122.66 0.15 1
584 193 113 THR H H 8.19 0.02 1
585 193 113 THR HA H 4.13 0.02 1
586 193 113 THR HB H 4.24 0.02 1
587 193 113 THR HG2 H 1.27 0.02 1
588 193 113 THR N N 115.56 0.15 1
589 194 114 THR H H 7.97 0.02 1
590 194 114 THR HA H 4.08 0.02 1
591 194 114 THR HB H 4.24 0.02 1
592 194 114 THR HG2 H 0.90 0.02 1
593 194 114 THR N N 115.14 0.15 1
594 195 115 THR H H 8.17 0.02 1
595 195 115 THR HA H 4.37 0.02 1
596 195 115 THR HB H 4.37 0.02 1
597 195 115 THR HG2 H 1.29 0.02 1
598 195 115 THR N N 117.16 0.15 1
599 196 116 THR H H 7.94 0.02 1
600 196 116 THR HA H 4.18 0.02 1
601 196 116 THR HB H 4.31 0.02 1
602 196 116 THR HG2 H 1.27 0.02 1
603 196 116 THR N N 116.53 0.15 1
604 197 117 LYS H H 7.62 0.02 1
605 197 117 LYS HA H 4.36 0.02 1
606 197 117 LYS HB2 H 1.98 0.02 2
607 197 117 LYS HB3 H 1.84 0.02 2
608 197 117 LYS HG2 H 1.49 0.02 2
609 197 117 LYS HG3 H 1.45 0.02 2
610 197 117 LYS HD2 H 1.62 0.02 1
611 197 117 LYS HD3 H 1.62 0.02 1
612 197 117 LYS N N 120.25 0.15 1
613 198 118 GLY H H 7.98 0.02 1
614 198 118 GLY HA2 H 3.80 0.02 2
615 198 118 GLY HA3 H 4.13 0.02 2
616 198 118 GLY N N 108.17 0.15 1
617 199 119 GLU H H 7.58 0.02 1
618 199 119 GLU HA H 4.27 0.02 1
619 199 119 GLU HB2 H 1.82 0.02 2
620 199 119 GLU HB3 H 1.97 0.02 2
621 199 119 GLU N N 120.08 0.15 1
622 200 120 ASN H H 8.46 0.02 1
623 200 120 ASN HA H 4.70 0.02 1
624 200 120 ASN HB2 H 2.63 0.02 2
625 200 120 ASN HB3 H 2.60 0.02 2
626 200 120 ASN HD21 H 6.81 0.02 1
627 200 120 ASN HD22 H 7.54 0.02 1
628 200 120 ASN N N 119.22 0.15 1
629 200 120 ASN ND2 N 113.16 0.15 1
630 201 121 PHE H H 8.62 0.02 1
631 201 121 PHE HA H 5.23 0.02 1
632 201 121 PHE HB2 H 3.17 0.02 2
633 201 121 PHE HB3 H 2.94 0.02 2
634 201 121 PHE HD1 H 7.33 0.02 3
635 201 121 PHE HD2 H 7.33 0.02 3
636 201 121 PHE HE1 H 7.44 0.02 3
637 201 121 PHE HE2 H 7.44 0.02 3
638 201 121 PHE N N 121.60 0.15 1
639 202 122 THR H H 9.63 0.02 1
640 202 122 THR HA H 4.62 0.02 1
641 202 122 THR HB H 4.81 0.02 1
642 202 122 THR HG2 H 1.40 0.02 1
643 202 122 THR N N 115.65 0.15 1
644 203 123 GLU H H 9.09 0.02 1
645 203 123 GLU HA H 4.03 0.02 1
646 203 123 GLU HB2 H 2.06 0.02 2
647 203 123 GLU HB3 H 2.11 0.02 2
648 203 123 GLU HG2 H 2.38 0.02 1
649 203 123 GLU N N 119.65 0.15 1
650 204 124 THR H H 7.91 0.02 1
651 204 124 THR HA H 3.78 0.02 1
652 204 124 THR HB H 3.70 0.02 1
653 204 124 THR HG2 H 0.62 0.02 1
654 204 124 THR N N 116.32 0.15 1
655 205 125 ASP H H 7.48 0.02 1
656 205 125 ASP HA H 4.51 0.02 1
657 205 125 ASP HB2 H 2.56 0.02 2
658 205 125 ASP HB3 H 3.34 0.02 2
659 205 125 ASP N N 119.31 0.15 1
660 206 126 ILE H H 8.06 0.02 1
661 206 126 ILE HA H 3.41 0.02 1
662 206 126 ILE HB H 1.93 0.02 1
663 206 126 ILE HG12 H 1.27 0.02 2
664 206 126 ILE HG13 H 1.55 0.02 2
665 206 126 ILE HG2 H 0.83 0.02 1
666 206 126 ILE HD1 H 0.71 0.02 1
667 206 126 ILE N N 118.74 0.15 1
668 207 127 LYS H H 7.77 0.02 1
669 207 127 LYS HA H 4.03 0.02 1
670 207 127 LYS HB2 H 1.93 0.02 2
671 207 127 LYS HB3 H 1.84 0.02 2
672 207 127 LYS HG2 H 1.57 0.02 2
673 207 127 LYS HG3 H 1.41 0.02 2
674 207 127 LYS HD3 H 1.67 0.02 1
675 207 127 LYS N N 119.37 0.15 1
676 208 128 ILE H H 7.98 0.02 1
677 208 128 ILE HA H 3.60 0.02 1
678 208 128 ILE HB H 1.86 0.02 1
679 208 128 ILE HG12 H 1.56 0.02 1
680 208 128 ILE HG2 H 0.76 0.02 1
681 208 128 ILE HD1 H 0.63 0.02 1
682 208 128 ILE N N 119.65 0.15 1
683 209 129 MET H H 8.79 0.02 1
684 209 129 MET HA H 3.44 0.02 1
685 209 129 MET HB2 H 1.87 0.02 1
686 209 129 MET HB3 H 1.87 0.02 1
687 209 129 MET HG2 H 1.96 0.02 1
688 209 129 MET HG3 H 1.96 0.02 1
689 209 129 MET N N 119.14 0.15 1
690 210 130 GLU H H 8.57 0.02 1
691 210 130 GLU HA H 3.61 0.02 1
692 210 130 GLU HB2 H 2.11 0.02 2
693 210 130 GLU HB3 H 1.97 0.02 2
694 210 130 GLU HG2 H 2.57 0.02 2
695 210 130 GLU HG3 H 2.18 0.02 2
696 210 130 GLU N N 117.30 0.15 1
697 211 131 ARG H H 7.19 0.02 1
698 211 131 ARG HA H 4.16 0.02 1
699 211 131 ARG HB2 H 1.94 0.02 2
700 211 131 ARG HB3 H 2.04 0.02 2
701 211 131 ARG HG2 H 1.68 0.02 2
702 211 131 ARG HG3 H 1.80 0.02 2
703 211 131 ARG N N 117.92 0.15 1
704 212 132 VAL H H 8.29 0.02 1
705 212 132 VAL HA H 3.47 0.02 1
706 212 132 VAL HB H 2.05 0.02 1
707 212 132 VAL HG1 H 0.99 0.02 2
708 212 132 VAL HG2 H 1.08 0.02 2
709 212 132 VAL N N 120.21 0.15 1
710 213 133 VAL H H 9.10 0.02 1
711 213 133 VAL HA H 3.63 0.02 1
712 213 133 VAL HB H 2.16 0.02 1
713 213 133 VAL HG1 H 0.93 0.02 2
714 213 133 VAL HG2 H 1.04 0.02 2
715 213 133 VAL N N 119.48 0.15 1
716 214 134 GLU H H 8.08 0.02 1
717 214 134 GLU HA H 3.54 0.02 1
718 214 134 GLU HB2 H 2.08 0.02 1
719 214 134 GLU HB3 H 2.08 0.02 1
720 214 134 GLU HG2 H 2.17 0.02 1
721 214 134 GLU HG3 H 2.17 0.02 1
722 214 134 GLU N N 121.37 0.15 1
723 215 135 GLN H H 7.10 0.02 1
724 215 135 GLN HA H 3.94 0.02 1
725 215 135 GLN HB2 H 2.19 0.02 2
726 215 135 GLN HB3 H 2.10 0.02 2
727 215 135 GLN HG2 H 2.34 0.02 2
728 215 135 GLN HG3 H 2.44 0.02 2
729 215 135 GLN HE21 H 7.60 0.02 1
730 215 135 GLN HE22 H 6.88 0.02 1
731 215 135 GLN N N 114.73 0.15 1
732 215 135 GLN NE2 N 114.02 0.15 1
733 216 136 MET H H 7.94 0.02 1
734 216 136 MET HA H 4.11 0.02 1
735 216 136 MET HB2 H 2.72 0.02 2
736 216 136 MET HB3 H 2.18 0.02 2
737 216 136 MET HG3 H 2.44 0.02 1
738 216 136 MET N N 119.52 0.15 1
739 217 137 CYS H H 9.29 0.02 1
740 217 137 CYS HA H 4.36 0.02 1
741 217 137 CYS HB2 H 3.53 0.02 2
742 217 137 CYS HB3 H 2.85 0.02 2
743 217 137 CYS N N 119.17 0.15 1
744 218 138 ILE H H 8.31 0.02 1
745 218 138 ILE HA H 3.49 0.02 1
746 218 138 ILE HB H 1.97 0.02 1
747 218 138 ILE HG12 H 1.97 0.02 1
748 218 138 ILE HG2 H 0.83 0.02 1
749 218 138 ILE HD1 H 0.83 0.02 1
750 218 138 ILE N N 123.87 0.15 1
751 219 139 THR H H 8.07 0.02 1
752 219 139 THR HA H 3.89 0.02 1
753 219 139 THR HB H 4.32 0.02 1
754 219 139 THR HG2 H 1.21 0.02 1
755 219 139 THR N N 118.57 0.15 1
756 220 140 GLN H H 8.78 0.02 1
757 220 140 GLN HA H 3.62 0.02 1
758 220 140 GLN HB2 H 2.29 0.02 2
759 220 140 GLN HB3 H 2.15 0.02 2
760 220 140 GLN HG2 H 1.60 0.02 2
761 220 140 GLN HG3 H 1.70 0.02 2
762 220 140 GLN HE21 H 7.31 0.02 1
763 220 140 GLN HE22 H 6.73 0.02 1
764 220 140 GLN N N 122.48 0.15 1
765 220 140 GLN NE2 N 115.31 0.15 1
766 221 141 TYR H H 8.60 0.02 1
767 221 141 TYR HA H 2.88 0.02 1
768 221 141 TYR HB2 H 2.68 0.02 2
769 221 141 TYR HB3 H 2.99 0.02 2
770 221 141 TYR HD1 H 6.12 0.02 3
771 221 141 TYR HD2 H 6.12 0.02 3
772 221 141 TYR HE1 H 6.53 0.02 3
773 221 141 TYR HE2 H 6.53 0.02 3
774 221 141 TYR N N 120.58 0.15 1
775 222 142 GLN H H 8.21 0.02 1
776 222 142 GLN HA H 3.71 0.02 1
777 222 142 GLN HB2 H 2.32 0.02 2
778 222 142 GLN HB3 H 2.06 0.02 2
779 222 142 GLN HG2 H 2.45 0.02 2
780 222 142 GLN HG3 H 2.67 0.02 2
781 222 142 GLN HE21 H 6.80 0.02 1
782 222 142 GLN HE22 H 7.38 0.02 1
783 222 142 GLN N N 119.96 0.15 1
784 222 142 GLN NE2 N 110.80 0.15 1
785 223 143 ARG H H 8.03 0.02 1
786 223 143 ARG HA H 3.95 0.02 1
787 223 143 ARG HB3 H 1.85 0.02 1
788 223 143 ARG HG2 H 1.58 0.02 2
789 223 143 ARG HG3 H 1.85 0.02 2
790 223 143 ARG N N 119.03 0.15 1
791 224 144 GLU H H 8.30 0.02 1
792 224 144 GLU HA H 4.01 0.02 1
793 224 144 GLU HB2 H 1.58 0.02 2
794 224 144 GLU HB3 H 2.13 0.02 2
795 224 144 GLU HG2 H 2.35 0.02 2
796 224 144 GLU HG3 H 2.13 0.02 2
797 224 144 GLU N N 117.75 0.15 1
798 225 145 SER H H 8.31 0.02 1
799 225 145 SER HA H 3.95 0.02 1
800 225 145 SER HB2 H 3.33 0.02 2
801 225 145 SER HB3 H 3.57 0.02 2
802 225 145 SER N N 115.03 0.15 1
803 226 146 GLN H H 7.62 0.02 1
804 226 146 GLN HA H 4.13 0.02 1
805 226 146 GLN HB2 H 2.08 0.02 1
806 226 146 GLN HB3 H 2.08 0.02 1
807 226 146 GLN HG2 H 2.45 0.02 1
808 226 146 GLN HG3 H 2.45 0.02 1
809 226 146 GLN HE21 H 6.79 0.02 1
810 226 146 GLN HE22 H 7.56 0.02 1
811 226 146 GLN N N 120.36 0.15 1
812 226 146 GLN NE2 N 112.67 0.15 1
813 227 147 ALA H H 7.59 0.02 1
814 227 147 ALA HA H 4.14 0.02 1
815 227 147 ALA HB H 1.37 0.02 1
816 227 147 ALA N N 121.01 0.15 1
817 228 148 TYR H H 7.91 0.02 1
818 228 148 TYR HA H 4.21 0.02 1
819 228 148 TYR HB2 H 2.94 0.02 2
820 228 148 TYR HB3 H 2.82 0.02 2
821 228 148 TYR HD1 H 6.73 0.02 3
822 228 148 TYR HD2 H 6.73 0.02 3
823 228 148 TYR HE1 H 6.70 0.02 3
824 228 148 TYR HE2 H 6.70 0.02 3
825 228 148 TYR N N 118.65 0.15 1
826 229 149 TYR H H 7.86 0.02 1
827 229 149 TYR HA H 4.34 0.02 1
828 229 149 TYR HB2 H 3.10 0.02 2
829 229 149 TYR HB3 H 2.94 0.02 2
830 229 149 TYR HD1 H 7.17 0.02 3
831 229 149 TYR HD2 H 7.17 0.02 3
832 229 149 TYR HE1 H 6.83 0.02 3
833 229 149 TYR HE2 H 6.83 0.02 3
834 229 149 TYR N N 118.58 0.15 1
835 230 150 GLN H H 7.91 0.02 1
836 230 150 GLN HA H 4.21 0.02 1
837 230 150 GLN HB2 H 2.01 0.02 2
838 230 150 GLN HB3 H 2.10 0.02 2
839 230 150 GLN HG2 H 2.35 0.02 1
840 230 150 GLN HG3 H 2.35 0.02 1
841 230 150 GLN HE21 H 6.76 0.02 1
842 230 150 GLN HE22 H 7.65 0.02 1
843 230 150 GLN N N 119.83 0.15 1
844 230 150 GLN NE2 N 111.97 0.15 1
845 231 151 ARG H H 7.97 0.02 1
846 231 151 ARG HA H 4.24 0.02 1
847 231 151 ARG HB2 H 1.83 0.02 2
848 231 151 ARG HB3 H 1.79 0.02 2
849 231 151 ARG HG2 H 1.64 0.02 1
850 231 151 ARG HG3 H 1.64 0.02 1
851 231 151 ARG N N 120.88 0.15 1
852 232 152 GLY H H 8.24 0.02 1
853 232 152 GLY HA2 H 3.91 0.02 2
854 232 152 GLY HA3 H 3.90 0.02 2
855 232 152 GLY N N 109.49 0.15 1
856 233 153 ALA H H 8.07 0.02 1
857 233 153 ALA HA H 4.34 0.02 1
858 233 153 ALA HB H 1.36 0.02 1
859 233 153 ALA N N 124.11 0.15 1
860 234 154 SER H H 7.91 0.02 1
861 234 154 SER HA H 4.25 0.02 1
862 234 154 SER HB2 H 3.84 0.02 1
863 234 154 SER HB3 H 3.84 0.02 1
864 234 154 SER N N 120.59 0.15 1
stop_
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