data_27314
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Acidothermus cellulolyticus endoglucanase 1 catalytic domain Y245G (E1)
;
_BMRB_accession_number 27314
_BMRB_flat_file_name bmr27314.str
_Entry_type original
_Submission_date 2017-11-16
_Accession_date 2017-11-16
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Chemical shifts (13C, 15N, 1H) for the backbone residues of the Y245G mutant of the catalytic domain of endoglucanase 1 (E1).'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Summers Samantha R. .
2 Kaar Joel L. .
3 Summers Michael F. .
4 Marchant Jan . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 247
"13C chemical shifts" 803
"15N chemical shifts" 247
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2018-03-22 update BMRB 'update entry citation'
2017-12-04 original author 'original release'
stop_
_Original_release_date 2017-11-16
save_
#############################
# Citation for this entry #
#############################
save_E1_ILs
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 29120187
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Summers Samantha R. .
2 Sprenger Kayla G. .
3 Pfaendtner Jim . .
4 Marchant Jan R. .
5 Summers Michael . .
6 Kaar Joel L. .
stop_
_Journal_abbreviation 'J. Phys. Chem. B'
_Journal_volume 121
_Journal_issue 48
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 10793
_Page_last 10803
_Year 2017
_Details .
loop_
_Keyword
'1-butyl-3-methylimidazolium chloride'
'Acidothermus cellulolyticus endocellulase E1'
Cellulase
HSQC
'Ionic Liquid Inactivation'
NMR
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'E1 Y245G monomer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'E1 Y245G' $E1_Y245G
stop_
_System_molecular_weight 40502
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details 'monomeric E1 with Y245G mutation'
save_
########################
# Monomeric polymers #
########################
save_E1_Y245G
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common E1_Y245G
_Molecular_mass 40502
_Mol_thiol_state 'all disulfide bound'
loop_
_Biological_function
'endocellulose, without the cellulose binding module (CBM)'
stop_
_Details
;
In publication, the naming scheme is based off of the PDB file 1ECE (lacks initial "MKL").
However, assignments are labeled according the the entered complete polymer sequence.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 361
_Mol_residue_sequence
;
MKLAGGGYWHTSGREILDAN
NVPVRIAGINWFGFETCNYV
VHGLWSRDYRSMLDQIKSLG
YNTIRLPYSDDILKPGTMPN
SINFYQMNQDLQGLTSLQVM
DKIVAYAGQIGLRIILDRHR
PDCSGQSALWYTSSVSEATW
ISDLQALAQRYKGNPTVVGF
DLHNEPHDPACWGCGDPSID
WRLAAERAGNAVLSVNPNLL
IFVEGVQSYNGDSYWWGGNL
QGAGQYPVVLNVPNRLVYSA
HDYATSVGPQTWFSDPTFPN
NMPGIWNKNWGYLFNQNIAP
VWLGEFGTTLQSTTDQTWLK
TLVQYLRPTAQYGADSFQWT
FWSWNPDSGDTGGILKDDWQ
TVDTVKDGYLAPIKSSIFDP
V
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LYS 3 LEU 4 ALA 5 GLY
6 GLY 7 GLY 8 TYR 9 TRP 10 HIS
11 THR 12 SER 13 GLY 14 ARG 15 GLU
16 ILE 17 LEU 18 ASP 19 ALA 20 ASN
21 ASN 22 VAL 23 PRO 24 VAL 25 ARG
26 ILE 27 ALA 28 GLY 29 ILE 30 ASN
31 TRP 32 PHE 33 GLY 34 PHE 35 GLU
36 THR 37 CYS 38 ASN 39 TYR 40 VAL
41 VAL 42 HIS 43 GLY 44 LEU 45 TRP
46 SER 47 ARG 48 ASP 49 TYR 50 ARG
51 SER 52 MET 53 LEU 54 ASP 55 GLN
56 ILE 57 LYS 58 SER 59 LEU 60 GLY
61 TYR 62 ASN 63 THR 64 ILE 65 ARG
66 LEU 67 PRO 68 TYR 69 SER 70 ASP
71 ASP 72 ILE 73 LEU 74 LYS 75 PRO
76 GLY 77 THR 78 MET 79 PRO 80 ASN
81 SER 82 ILE 83 ASN 84 PHE 85 TYR
86 GLN 87 MET 88 ASN 89 GLN 90 ASP
91 LEU 92 GLN 93 GLY 94 LEU 95 THR
96 SER 97 LEU 98 GLN 99 VAL 100 MET
101 ASP 102 LYS 103 ILE 104 VAL 105 ALA
106 TYR 107 ALA 108 GLY 109 GLN 110 ILE
111 GLY 112 LEU 113 ARG 114 ILE 115 ILE
116 LEU 117 ASP 118 ARG 119 HIS 120 ARG
121 PRO 122 ASP 123 CYS 124 SER 125 GLY
126 GLN 127 SER 128 ALA 129 LEU 130 TRP
131 TYR 132 THR 133 SER 134 SER 135 VAL
136 SER 137 GLU 138 ALA 139 THR 140 TRP
141 ILE 142 SER 143 ASP 144 LEU 145 GLN
146 ALA 147 LEU 148 ALA 149 GLN 150 ARG
151 TYR 152 LYS 153 GLY 154 ASN 155 PRO
156 THR 157 VAL 158 VAL 159 GLY 160 PHE
161 ASP 162 LEU 163 HIS 164 ASN 165 GLU
166 PRO 167 HIS 168 ASP 169 PRO 170 ALA
171 CYS 172 TRP 173 GLY 174 CYS 175 GLY
176 ASP 177 PRO 178 SER 179 ILE 180 ASP
181 TRP 182 ARG 183 LEU 184 ALA 185 ALA
186 GLU 187 ARG 188 ALA 189 GLY 190 ASN
191 ALA 192 VAL 193 LEU 194 SER 195 VAL
196 ASN 197 PRO 198 ASN 199 LEU 200 LEU
201 ILE 202 PHE 203 VAL 204 GLU 205 GLY
206 VAL 207 GLN 208 SER 209 TYR 210 ASN
211 GLY 212 ASP 213 SER 214 TYR 215 TRP
216 TRP 217 GLY 218 GLY 219 ASN 220 LEU
221 GLN 222 GLY 223 ALA 224 GLY 225 GLN
226 TYR 227 PRO 228 VAL 229 VAL 230 LEU
231 ASN 232 VAL 233 PRO 234 ASN 235 ARG
236 LEU 237 VAL 238 TYR 239 SER 240 ALA
241 HIS 242 ASP 243 TYR 244 ALA 245 THR
246 SER 247 VAL 248 GLY 249 PRO 250 GLN
251 THR 252 TRP 253 PHE 254 SER 255 ASP
256 PRO 257 THR 258 PHE 259 PRO 260 ASN
261 ASN 262 MET 263 PRO 264 GLY 265 ILE
266 TRP 267 ASN 268 LYS 269 ASN 270 TRP
271 GLY 272 TYR 273 LEU 274 PHE 275 ASN
276 GLN 277 ASN 278 ILE 279 ALA 280 PRO
281 VAL 282 TRP 283 LEU 284 GLY 285 GLU
286 PHE 287 GLY 288 THR 289 THR 290 LEU
291 GLN 292 SER 293 THR 294 THR 295 ASP
296 GLN 297 THR 298 TRP 299 LEU 300 LYS
301 THR 302 LEU 303 VAL 304 GLN 305 TYR
306 LEU 307 ARG 308 PRO 309 THR 310 ALA
311 GLN 312 TYR 313 GLY 314 ALA 315 ASP
316 SER 317 PHE 318 GLN 319 TRP 320 THR
321 PHE 322 TRP 323 SER 324 TRP 325 ASN
326 PRO 327 ASP 328 SER 329 GLY 330 ASP
331 THR 332 GLY 333 GLY 334 ILE 335 LEU
336 LYS 337 ASP 338 ASP 339 TRP 340 GLN
341 THR 342 VAL 343 ASP 344 THR 345 VAL
346 LYS 347 ASP 348 GLY 349 TYR 350 LEU
351 ALA 352 PRO 353 ILE 354 LYS 355 SER
356 SER 357 ILE 358 PHE 359 ASP 360 PRO
361 VAL
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
$E1_Y245G 'Acidothermus cellulolyticus' 28049 Bacteria . Acidothermus cellulolyticus
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
$E1_Y245G 'recombinant technology' . Escherichia coli BL21(DE3) pET-21
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_E1_Y245G_sample
_Saveframe_category sample
_Sample_type solution
_Details
;
Final sample conditions: after E1 was eluted (~ 25 mM Na phosphate pH 8.0),
E1 was briefly dialyzed (1 hr, 20 mL sample, 8 L buffer) into 10 mM citrate
pH 5.0 buffer.
Final pH of sample was ~ 7.20.
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$E1_Y245G 150 mM 100 200 '[U-13C; U-15N]'
'Na phosphate' 25 mM . . 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRFx_Processor_and_NMRViewJ
_Saveframe_category software
_Name NMRFx_Processor_and_NMRViewJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruce Johnson' . .
stop_
loop_
_Task
'peak picking'
processing
stop_
_Details 'From OneMoonScientific'
save_
save_MARS
_Saveframe_category software
_Name MARS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Markus Zweckstetter' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_PINE
_Saveframe_category software
_Name PINE
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Arash Bahrami' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_Bruker_800
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $E1_Y245G_sample
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $E1_Y245G_sample
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $E1_Y245G_sample
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $E1_Y245G_sample
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $E1_Y245G_sample
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $E1_Y245G_sample
save_
save_3D_HCACO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCACO'
_Sample_label $E1_Y245G_sample
save_
#######################
# Sample conditions #
#######################
save_E1_sample_conditions
_Saveframe_category sample_conditions
_Details
;
Final sample conditions: after E1 was eluted (~ 25 mM Na phosphate pH 8.0;
phosphate buffer was prepared using sodium phosphate dibasic anhydrous and
then changing the pH with HCl to the desired value), E1 was briefly dialyzed
(1 hr, 20 mL sample, 8 L buffer) into 10 mM citrate pH 5.0 buffer.
Final pH of sample was ~ 7.20.
;
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 25 . mM
pH 7.2 . pH
pressure 1 . atm
temperature 273 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_E1_Y245G_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift of internal water reference was used to establish all chemical shifts.
Water chemical shift relative to TMS was 4.496667 at 323 K.
;
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_E1_Y245G_assignments
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D HN(CO)CA'
'3D HCACO'
stop_
loop_
_Sample_label
$E1_Y245G_sample
stop_
_Sample_conditions_label $E1_sample_conditions
_Chem_shift_reference_set_label $E1_Y245G_chemical_shift_reference
_Mol_system_component_name 'E1 Y245G'
_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 7 7 GLY C C 172.9863 0.0000 1
2 7 7 GLY CA C 44.7663 0.0000 1
3 8 8 TYR H H 7.8766 0.0000 1
4 8 8 TYR C C 176.7498 0.0000 1
5 8 8 TYR CA C 60.6702 0.0000 1
6 8 8 TYR CB C 39.6277 0.0000 1
7 8 8 TYR N N 115.2697 0.0000 1
8 9 9 TRP H H 8.7460 0.0000 1
9 9 9 TRP C C 175.1556 0.0000 1
10 9 9 TRP CA C 54.2692 0.0000 1
11 9 9 TRP CB C 32.7788 0.0000 1
12 9 9 TRP N N 122.6154 0.0000 1
13 10 10 HIS H H 9.0672 0.0000 1
14 10 10 HIS C C 172.4842 0.0000 1
15 10 10 HIS CA C 54.6580 0.0000 1
16 10 10 HIS CB C 32.5506 0.0000 1
17 10 10 HIS N N 111.6961 0.0000 1
18 11 11 THR H H 8.2090 0.0000 1
19 11 11 THR C C 174.4431 0.0000 1
20 11 11 THR CA C 60.5381 0.0000 1
21 11 11 THR CB C 69.8966 0.0000 1
22 11 11 THR N N 109.9159 0.0000 1
23 12 12 SER H H 8.5445 0.0000 1
24 12 12 SER C C 175.3377 0.0000 1
25 12 12 SER CA C 57.6142 0.0000 1
26 12 12 SER CB C 63.6400 0.0000 1
27 12 12 SER N N 114.1824 0.0000 1
28 13 13 GLY C C 173.8653 0.0000 1
29 13 13 GLY CA C 47.1088 0.0000 1
30 14 14 ARG H H 8.2577 0.0000 1
31 14 14 ARG C C 173.0571 0.0000 1
32 14 14 ARG CA C 54.6030 0.0000 1
33 14 14 ARG CB C 30.9748 0.0000 1
34 14 14 ARG N N 123.8933 0.0000 1
35 15 15 GLU H H 7.7319 0.0000 1
36 15 15 GLU C C 174.9158 0.0000 1
37 15 15 GLU CA C 54.9935 0.0000 1
38 15 15 GLU CB C 33.8425 0.0000 1
39 15 15 GLU N N 119.8861 0.0000 1
40 16 16 ILE H H 8.8587 0.0000 1
41 16 16 ILE C C 172.9850 0.0000 1
42 16 16 ILE CA C 61.1608 0.0000 1
43 16 16 ILE CB C 38.6077 0.0000 1
44 16 16 ILE N N 120.8337 0.0000 1
45 17 17 LEU H H 8.6340 0.0000 1
46 17 17 LEU C C 174.9850 0.0000 1
47 17 17 LEU CA C 52.5483 0.0000 1
48 17 17 LEU CB C 45.7464 0.0000 1
49 17 17 LEU N N 125.3341 0.0000 1
50 18 18 ASP H H 8.0155 0.0000 1
51 18 18 ASP C C 177.8113 0.0000 1
52 18 18 ASP CA C 51.8766 0.0000 1
53 18 18 ASP CB C 40.9394 0.0000 1
54 18 18 ASP N N 117.3976 0.0000 1
55 19 19 ALA H H 7.8107 0.0000 1
56 19 19 ALA C C 179.3432 0.0000 1
57 19 19 ALA CA C 54.8842 0.0000 1
58 19 19 ALA CB C 18.9473 0.0000 1
59 19 19 ALA N N 117.6437 0.0000 1
60 20 20 ASN H H 8.6474 0.0000 1
61 20 20 ASN C C 174.4255 0.0000 1
62 20 20 ASN CA C 52.6712 0.0000 1
63 20 20 ASN CB C 39.0138 0.0000 1
64 20 20 ASN N N 116.7731 0.0000 1
65 21 21 ASN H H 8.6430 0.0000 1
66 21 21 ASN C C 173.3086 0.0000 1
67 21 21 ASN CA C 54.9385 0.0000 1
68 21 21 ASN CB C 36.0297 0.0000 1
69 21 21 ASN N N 114.6355 0.0000 1
70 22 22 VAL H H 8.4936 0.0000 1
71 22 22 VAL C C 174.7014 0.0000 1
72 22 22 VAL CA C 60.6004 0.0000 1
73 22 22 VAL CB C 32.1942 0.0000 1
74 22 22 VAL N N 124.0955 0.0000 1
75 23 23 PRO C C 176.3011 0.0000 1
76 23 23 PRO CA C 62.7031 0.0000 1
77 23 23 PRO CB C 32.9127 0.0000 1
78 24 24 VAL H H 8.6679 0.0000 1
79 24 24 VAL C C 172.6300 0.0000 1
80 24 24 VAL CA C 59.1347 0.0000 1
81 24 24 VAL CB C 35.6104 0.0000 1
82 24 24 VAL N N 117.6758 0.0000 1
83 25 25 ARG H H 7.7433 0.0000 1
84 25 25 ARG C C 175.9497 0.0000 1
85 25 25 ARG CA C 54.1041 0.0000 1
86 25 25 ARG CB C 34.4466 0.0000 1
87 25 25 ARG N N 119.8304 0.0000 1
88 26 26 ILE H H 9.6032 0.0000 1
89 26 26 ILE C C 174.3997 0.0000 1
90 26 26 ILE CA C 63.3325 0.0000 1
91 26 26 ILE CB C 38.4737 0.0000 1
92 26 26 ILE N N 130.3380 0.0000 1
93 27 27 ALA H H 8.6907 0.0000 1
94 27 27 ALA C C 177.4201 0.0000 1
95 27 27 ALA CA C 50.3510 0.0000 1
96 27 27 ALA CB C 19.6053 0.0000 1
97 27 27 ALA N N 101.4780 0.0000 1
98 28 28 GLY H H 7.9080 0.0000 1
99 28 28 GLY C C 172.1880 0.0000 1
100 28 28 GLY CA C 46.3137 0.0000 1
101 28 28 GLY N N 107.6160 0.0000 1
102 43 43 GLY C C 174.7757 0.0000 1
103 43 43 GLY CA C 42.8961 0.0000 1
104 44 44 LEU H H 8.1787 0.0000 1
105 44 44 LEU C C 176.0605 0.0000 1
106 44 44 LEU CA C 54.6034 0.0000 1
107 44 44 LEU CB C 38.9433 0.0000 1
108 44 44 LEU N N 120.1006 0.0000 1
109 45 45 TRP H H 6.2777 0.0000 1
110 45 45 TRP C C 176.3679 0.0000 1
111 45 45 TRP CA C 57.1788 0.0000 1
112 45 45 TRP CB C 26.8045 0.0000 1
113 45 45 TRP N N 112.6351 0.0000 1
114 46 46 SER H H 6.6199 0.0000 1
115 46 46 SER C C 172.4741 0.0000 1
116 46 46 SER CA C 58.8103 0.0000 1
117 46 46 SER CB C 66.4916 0.0000 1
118 46 46 SER N N 115.3183 0.0000 1
119 47 47 ARG H H 7.4531 0.0000 1
120 47 47 ARG C C 174.5915 0.0000 1
121 47 47 ARG CA C 52.0778 0.0000 1
122 47 47 ARG CB C 33.0927 0.0000 1
123 47 47 ARG N N 119.9211 0.0000 1
124 48 48 ASP H H 8.2027 0.0000 1
125 48 48 ASP C C 179.4982 0.0000 1
126 48 48 ASP CA C 53.1334 0.0000 1
127 48 48 ASP CB C 45.6680 0.0000 1
128 48 48 ASP N N 118.7834 0.0000 1
129 49 49 TYR H H 9.6748 0.0000 1
130 49 49 TYR C C 175.7140 0.0000 1
131 49 49 TYR CA C 61.5237 0.0000 1
132 49 49 TYR CB C 37.5797 0.0000 1
133 49 49 TYR N N 126.5380 0.0000 1
134 50 50 ARG H H 7.3137 0.0000 1
135 50 50 ARG C C 177.6624 0.0000 1
136 50 50 ARG CA C 58.8491 0.0000 1
137 50 50 ARG CB C 28.5575 0.0000 1
138 50 50 ARG N N 122.5519 0.0000 1
139 51 51 SER H H 6.9937 0.0000 1
140 51 51 SER C C 178.7020 0.0000 1
141 51 51 SER CA C 60.7009 0.0000 1
142 51 51 SER CB C 63.4995 0.0000 1
143 51 51 SER N N 112.3958 0.0000 1
144 52 52 MET H H 8.0308 0.0000 1
145 52 52 MET C C 177.0551 0.0000 1
146 52 52 MET CA C 59.4000 0.0000 1
147 52 52 MET CB C 35.6711 0.0000 1
148 52 52 MET N N 118.7810 0.0000 1
149 53 53 LEU H H 7.5900 0.0000 1
150 53 53 LEU C C 177.6240 0.0000 1
151 53 53 LEU CA C 58.8105 0.0000 1
152 53 53 LEU CB C 41.7012 0.0000 1
153 53 53 LEU N N 119.8020 0.0000 1
154 54 54 ASP H H 8.8829 0.0000 1
155 54 54 ASP C C 179.3620 0.0000 1
156 54 54 ASP CA C 57.5238 0.0000 1
157 54 54 ASP CB C 40.2929 0.0000 1
158 54 54 ASP N N 118.6153 0.0000 1
159 55 55 GLN H H 7.9832 0.0000 1
160 55 55 GLN C C 178.6050 0.0000 1
161 55 55 GLN CA C 58.9106 0.0000 1
162 55 55 GLN CB C 28.0925 0.0000 1
163 55 55 GLN N N 123.5987 0.0000 1
164 56 56 ILE H H 7.8873 0.0000 1
165 56 56 ILE C C 177.8303 0.0000 1
166 56 56 ILE CA C 66.7536 0.0000 1
167 56 56 ILE CB C 38.2864 0.0000 1
168 56 56 ILE N N 122.6153 0.0000 1
169 57 57 LYS H H 7.7710 0.0000 1
170 57 57 LYS C C 181.0243 0.0000 1
171 57 57 LYS CA C 59.4173 0.0000 1
172 57 57 LYS CB C 32.5684 0.0000 1
173 57 57 LYS N N 117.8026 0.0000 1
174 58 58 SER H H 8.6497 0.0000 1
175 58 58 SER C C 175.7888 0.0000 1
176 58 58 SER CA C 61.6301 0.0000 1
177 58 58 SER CB C 62.7684 0.0000 1
178 58 58 SER N N 118.3100 0.0000 1
179 59 59 LEU H H 7.6314 0.0000 1
180 59 59 LEU C C 177.4212 0.0000 1
181 59 59 LEU CA C 55.1019 0.0000 1
182 59 59 LEU CB C 42.8725 0.0000 1
183 59 59 LEU N N 120.9243 0.0000 1
184 60 60 GLY H H 8.1720 0.0000 1
185 60 60 GLY C C 173.7904 0.0000 1
186 60 60 GLY CA C 45.6546 0.0000 1
187 60 60 GLY N N 107.5600 0.0000 1
188 61 61 TYR H H 6.9879 0.0000 1
189 61 61 TYR C C 174.4646 0.0000 1
190 61 61 TYR CA C 58.6811 0.0000 1
191 61 61 TYR CB C 39.3851 0.0000 1
192 61 61 TYR N N 119.5601 0.0000 1
193 62 62 ASN H H 7.5551 0.0000 1
194 62 62 ASN C C 174.4788 0.0000 1
195 62 62 ASN CA C 52.9671 0.0000 1
196 62 62 ASN CB C 40.6434 0.0000 1
197 62 62 ASN N N 113.5538 0.0000 1
198 63 63 THR H H 6.8029 0.0000 1
199 63 63 THR C C 172.7601 0.0000 1
200 63 63 THR CA C 61.4635 0.0000 1
201 63 63 THR CB C 73.6751 0.0000 1
202 63 63 THR N N 113.2838 0.0000 1
203 64 64 ILE H H 9.2486 0.0000 1
204 64 64 ILE C C 176.5894 0.0000 1
205 64 64 ILE CA C 58.5975 0.0000 1
206 64 64 ILE CB C 40.6012 0.0000 1
207 64 64 ILE N N 125.4322 0.0000 1
208 65 65 ARG H H 8.5898 0.0000 1
209 65 65 ARG C C 173.8502 0.0000 1
210 65 65 ARG CA C 55.7187 0.0000 1
211 65 65 ARG CB C 31.2170 0.0000 1
212 65 65 ARG N N 129.2545 0.0000 1
213 66 66 LEU H H 8.9846 0.0000 1
214 66 66 LEU CA C 51.8247 0.0000 1
215 66 66 LEU CB C 45.2281 0.0000 1
216 66 66 LEU N N 131.5895 0.0000 1
217 69 69 SER C C 173.4565 0.0000 1
218 69 69 SER CA C 57.6703 0.0000 1
219 69 69 SER CB C 63.7907 0.0000 1
220 70 70 ASP H H 6.7461 0.0000 1
221 70 70 ASP C C 176.1626 0.0000 1
222 70 70 ASP CA C 52.5624 0.0000 1
223 70 70 ASP CB C 43.8349 0.0000 1
224 70 70 ASP N N 124.6856 0.0000 1
225 71 71 ASP H H 8.8980 0.0000 1
226 71 71 ASP C C 174.8832 0.0000 1
227 71 71 ASP CA C 58.7448 0.0000 1
228 71 71 ASP CB C 43.1549 0.0000 1
229 71 71 ASP N N 113.7603 0.0000 1
230 76 76 GLY C C 174.6545 0.0000 1
231 76 76 GLY CA C 45.4037 0.0000 1
232 77 77 THR H H 7.4312 0.0000 1
233 77 77 THR C C 173.6993 0.0000 1
234 77 77 THR CA C 65.3238 0.0000 1
235 77 77 THR CB C 68.6326 0.0000 1
236 77 77 THR N N 117.2016 0.0000 1
237 78 78 MET H H 8.4183 0.0000 1
238 78 78 MET C C 173.4273 0.0000 1
239 78 78 MET CA C 51.8950 0.0000 1
240 78 78 MET CB C 32.9752 0.0000 1
241 78 78 MET N N 128.8376 0.0000 1
242 81 81 SER C C 173.2479 0.0000 1
243 81 81 SER CA C 59.9628 0.0000 1
244 81 81 SER CB C 63.5342 0.0000 1
245 82 82 ILE H H 7.5647 0.0000 1
246 82 82 ILE C C 174.0965 0.0000 1
247 82 82 ILE CA C 62.0294 0.0000 1
248 82 82 ILE CB C 39.0060 0.0000 1
249 82 82 ILE N N 120.1952 0.0000 1
250 83 83 ASN H H 7.6670 0.0000 1
251 83 83 ASN C C 173.6658 0.0000 1
252 83 83 ASN CA C 51.9516 0.0000 1
253 83 83 ASN CB C 39.7003 0.0000 1
254 83 83 ASN N N 126.0901 0.0000 1
255 84 84 PHE H H 7.9705 0.0000 1
256 84 84 PHE C C 176.3671 0.0000 1
257 84 84 PHE CA C 56.9143 0.0000 1
258 84 84 PHE CB C 39.7118 0.0000 1
259 84 84 PHE N N 122.2221 0.0000 1
260 85 85 TYR H H 8.0783 0.0000 1
261 85 85 TYR C C 174.1493 0.0000 1
262 85 85 TYR CA C 58.3240 0.0000 1
263 85 85 TYR CB C 37.3455 0.0000 1
264 85 85 TYR N N 121.0686 0.0000 1
265 86 86 GLN C C 173.5257 0.0000 1
266 86 86 GLN CA C 57.3015 0.0000 1
267 86 86 GLN CB C 26.0352 0.0000 1
268 87 87 MET H H 7.1389 0.0000 1
269 87 87 MET C C 173.2677 0.0000 1
270 87 87 MET CA C 54.9863 0.0000 1
271 87 87 MET CB C 35.9348 0.0000 1
272 87 87 MET N N 112.6545 0.0000 1
273 88 88 ASN H H 9.7728 0.0000 1
274 88 88 ASN C C 178.2710 0.0000 1
275 88 88 ASN CA C 55.9141 0.0000 1
276 88 88 ASN CB C 38.6618 0.0000 1
277 88 88 ASN N N 110.5761 0.0000 1
278 89 89 GLN H H 9.4062 0.0000 1
279 89 89 GLN C C 178.7843 0.0000 1
280 89 89 GLN CA C 62.1136 0.0000 1
281 89 89 GLN CB C 28.2015 0.0000 1
282 89 89 GLN N N 117.9362 0.0000 1
283 90 90 ASP H H 9.4210 0.0000 1
284 90 90 ASP C C 176.3654 0.0000 1
285 90 90 ASP CA C 54.0732 0.0000 1
286 90 90 ASP CB C 38.6047 0.0000 1
287 90 90 ASP N N 114.2563 0.0000 1
288 91 91 LEU H H 8.1075 0.0000 1
289 91 91 LEU CA C 54.3369 0.0000 1
290 91 91 LEU CB C 41.0697 0.0000 1
291 91 91 LEU N N 115.2636 0.0000 1
292 93 93 GLY C C 173.4206 0.0000 1
293 93 93 GLY CA C 45.6279 0.0000 1
294 94 94 LEU H H 7.0475 0.0000 1
295 94 94 LEU C C 177.4888 0.0000 1
296 94 94 LEU CA C 54.5104 0.0000 1
297 94 94 LEU CB C 41.9902 0.0000 1
298 94 94 LEU N N 119.5388 0.0000 1
299 95 95 THR H H 8.4268 0.0000 1
300 95 95 THR C C 175.8431 0.0000 1
301 95 95 THR CA C 61.3218 0.0000 1
302 95 95 THR CB C 70.9046 0.0000 1
303 95 95 THR N N 109.5562 0.0000 1
304 96 96 SER H H 9.0318 0.0000 1
305 96 96 SER C C 176.2618 0.0000 1
306 96 96 SER CA C 65.7017 0.0000 1
307 96 96 SER CB C 63.0223 0.0000 1
308 96 96 SER N N 117.0579 0.0000 1
309 97 97 LEU H H 8.2975 0.0000 1
310 97 97 LEU C C 177.8562 0.0000 1
311 97 97 LEU CA C 57.7095 0.0000 1
312 97 97 LEU CB C 42.0934 0.0000 1
313 97 97 LEU N N 119.6239 0.0000 1
314 98 98 GLN H H 7.2322 0.0000 1
315 98 98 GLN C C 179.7839 0.0000 1
316 98 98 GLN CA C 58.5519 0.0000 1
317 98 98 GLN CB C 29.5479 0.0000 1
318 98 98 GLN N N 116.2926 0.0000 1
319 99 99 VAL H H 8.6594 0.0000 1
320 99 99 VAL C C 178.0431 0.0000 1
321 99 99 VAL CA C 67.5275 0.0000 1
322 99 99 VAL CB C 30.8762 0.0000 1
323 99 99 VAL N N 121.4602 0.0000 1
324 100 100 MET H H 8.5179 0.0000 1
325 100 100 MET C C 177.8741 0.0000 1
326 100 100 MET CA C 61.2631 0.0000 1
327 100 100 MET CB C 32.1572 0.0000 1
328 100 100 MET N N 122.7332 0.0000 1
329 101 101 ASP H H 8.3575 0.0000 1
330 101 101 ASP C C 179.2964 0.0000 1
331 101 101 ASP CA C 58.1052 0.0000 1
332 101 101 ASP CB C 39.9588 0.0000 1
333 101 101 ASP N N 117.0907 0.0000 1
334 102 102 LYS H H 7.4800 0.0000 1
335 102 102 LYS C C 179.8107 0.0000 1
336 102 102 LYS CA C 58.8318 0.0000 1
337 102 102 LYS CB C 31.3432 0.0000 1
338 102 102 LYS N N 120.1497 0.0000 1
339 103 103 ILE H H 8.0857 0.0000 1
340 103 103 ILE C C 176.7795 0.0000 1
341 103 103 ILE CA C 65.3872 0.0000 1
342 103 103 ILE CB C 37.4987 0.0000 1
343 103 103 ILE N N 122.4932 0.0000 1
344 104 104 VAL H H 8.6913 0.0000 1
345 104 104 VAL C C 177.9903 0.0000 1
346 104 104 VAL CA C 66.8203 0.0000 1
347 104 104 VAL CB C 31.4750 0.0000 1
348 104 104 VAL N N 119.4964 0.0000 1
349 105 105 ALA H H 8.2498 0.0000 1
350 105 105 ALA C C 180.4700 0.0000 1
351 105 105 ALA CA C 54.9104 0.0000 1
352 105 105 ALA CB C 18.4541 0.0000 1
353 105 105 ALA N N 119.7918 0.0000 1
354 106 106 TYR H H 8.0142 0.0000 1
355 106 106 TYR C C 176.5856 0.0000 1
356 106 106 TYR CA C 62.7424 0.0000 1
357 106 106 TYR CB C 37.8757 0.0000 1
358 106 106 TYR N N 118.4137 0.0000 1
359 107 107 ALA H H 8.6646 0.0000 1
360 107 107 ALA C C 179.4657 0.0000 1
361 107 107 ALA CA C 55.7054 0.0000 1
362 107 107 ALA CB C 17.6486 0.0000 1
363 107 107 ALA N N 118.3100 0.0000 1
364 108 108 GLY H H 8.1037 0.0000 1
365 108 108 GLY C C 177.8440 0.0000 1
366 108 108 GLY CA C 48.2835 0.0000 1
367 108 108 GLY N N 102.4883 0.0000 1
368 109 109 GLN H H 7.6294 0.0000 1
369 109 109 GLN C C 177.6901 0.0000 1
370 109 109 GLN CA C 58.5689 0.0000 1
371 109 109 GLN CB C 28.6547 0.0000 1
372 109 109 GLN N N 121.9929 0.0000 1
373 110 110 ILE H H 7.2197 0.0000 1
374 110 110 ILE C C 176.5627 0.0000 1
375 110 110 ILE CA C 61.1820 0.0000 1
376 110 110 ILE CB C 38.3447 0.0000 1
377 110 110 ILE N N 108.0268 0.0000 1
378 111 111 GLY H H 7.6104 0.0000 1
379 111 111 GLY C C 172.7379 0.0000 1
380 111 111 GLY CA C 45.8364 0.0000 1
381 111 111 GLY N N 108.8590 0.0000 1
382 112 112 LEU H H 8.0729 0.0000 1
383 112 112 LEU C C 177.8474 0.0000 1
384 112 112 LEU CA C 53.4201 0.0000 1
385 112 112 LEU CB C 44.2610 0.0000 1
386 112 112 LEU N N 117.9116 0.0000 1
387 113 113 ARG H H 7.7056 0.0000 1
388 113 113 ARG C C 174.9960 0.0000 1
389 113 113 ARG CA C 52.7642 0.0000 1
390 113 113 ARG CB C 32.7266 0.0000 1
391 113 113 ARG N N 115.3180 0.0000 1
392 114 114 ILE H H 8.7360 0.0000 1
393 114 114 ILE C C 179.5318 0.0000 1
394 114 114 ILE CA C 58.3369 0.0000 1
395 114 114 ILE CB C 41.4978 0.0000 1
396 114 114 ILE N N 119.5422 0.0000 1
397 115 115 ILE H H 7.7207 0.0000 1
398 115 115 ILE C C 175.0062 0.0000 1
399 115 115 ILE CA C 64.0272 0.0000 1
400 115 115 ILE CB C 37.9220 0.0000 1
401 115 115 ILE N N 109.6846 0.0000 1
402 116 116 LEU H H 7.2541 0.0000 1
403 116 116 LEU C C 177.8276 0.0000 1
404 116 116 LEU CA C 55.9917 0.0000 1
405 116 116 LEU CB C 40.8983 0.0000 1
406 116 116 LEU N N 118.5941 0.0000 1
407 117 117 ASP H H 7.3109 0.0000 1
408 117 117 ASP C C 175.7453 0.0000 1
409 117 117 ASP CA C 55.9389 0.0000 1
410 117 117 ASP CB C 30.7239 0.0000 1
411 117 117 ASP N N 122.5437 0.0000 1
412 118 118 ARG H H 7.7619 0.0000 1
413 118 118 ARG C C 182.3437 0.0000 1
414 118 118 ARG CA C 53.8424 0.0000 1
415 118 118 ARG CB C 30.0065 0.0000 1
416 118 118 ARG N N 130.0969 0.0000 1
417 134 134 SER C C 174.0008 0.0000 1
418 134 134 SER CA C 58.9153 0.0000 1
419 134 134 SER CB C 64.6876 0.0000 1
420 135 135 VAL H H 7.5278 0.0000 1
421 135 135 VAL C C 174.9869 0.0000 1
422 135 135 VAL CA C 62.4442 0.0000 1
423 135 135 VAL CB C 31.9117 0.0000 1
424 135 135 VAL N N 125.1989 0.0000 1
425 139 139 THR C C 177.2628 0.0000 1
426 139 139 THR CA C 65.3567 0.0000 1
427 139 139 THR CB C 68.4840 0.0000 1
428 140 140 TRP H H 6.5404 0.0000 1
429 140 140 TRP C C 177.7955 0.0000 1
430 140 140 TRP CA C 58.5052 0.0000 1
431 140 140 TRP CB C 26.8200 0.0000 1
432 140 140 TRP N N 115.1777 0.0000 1
433 141 141 ILE H H 6.6661 0.0000 1
434 141 141 ILE C C 175.5210 0.0000 1
435 141 141 ILE CA C 60.0209 0.0000 1
436 141 141 ILE CB C 38.3441 0.0000 1
437 141 141 ILE N N 116.6892 0.0000 1
438 142 142 SER H H 7.4351 0.0000 1
439 142 142 SER C C 173.5596 0.0000 1
440 142 142 SER CA C 61.1974 0.0000 1
441 142 142 SER CB C 63.3546 0.0000 1
442 142 142 SER N N 111.9708 0.0000 1
443 144 144 LEU C C 179.4171 0.0000 1
444 144 144 LEU CA C 58.5529 0.0000 1
445 144 144 LEU CB C 42.7658 0.0000 1
446 145 145 GLN H H 8.3290 0.0000 1
447 145 145 GLN C C 178.1533 0.0000 1
448 145 145 GLN CA C 60.0834 0.0000 1
449 145 145 GLN CB C 28.9613 0.0000 1
450 145 145 GLN N N 114.9288 0.0000 1
451 146 146 ALA H H 8.4569 0.0000 1
452 146 146 ALA C C 181.8499 0.0000 1
453 146 146 ALA CA C 55.2287 0.0000 1
454 146 146 ALA CB C 18.0605 0.0000 1
455 146 146 ALA N N 122.4381 0.0000 1
456 147 147 LEU H H 7.9282 0.0000 1
457 147 147 LEU C C 178.2370 0.0000 1
458 147 147 LEU CA C 57.6812 0.0000 1
459 147 147 LEU CB C 42.4622 0.0000 1
460 147 147 LEU N N 120.3060 0.0000 1
461 148 148 ALA H H 8.4695 0.0000 1
462 148 148 ALA C C 180.6551 0.0000 1
463 148 148 ALA CA C 54.8871 0.0000 1
464 148 148 ALA CB C 17.8003 0.0000 1
465 148 148 ALA N N 121.9344 0.0000 1
466 149 149 GLN H H 8.5870 0.0000 1
467 149 149 GLN C C 178.1835 0.0000 1
468 149 149 GLN CA C 58.6283 0.0000 1
469 149 149 GLN CB C 28.5792 0.0000 1
470 149 149 GLN N N 117.9487 0.0000 1
471 150 150 ARG H H 7.9290 0.0000 1
472 150 150 ARG C C 177.6488 0.0000 1
473 150 150 ARG CA C 59.1836 0.0000 1
474 150 150 ARG CB C 30.3737 0.0000 1
475 150 150 ARG N N 121.5180 0.0000 1
476 151 151 TYR H H 6.9754 0.0000 1
477 151 151 TYR C C 174.5051 0.0000 1
478 151 151 TYR CA C 57.1540 0.0000 1
479 151 151 TYR CB C 38.2754 0.0000 1
480 151 151 TYR N N 111.2484 0.0000 1
481 152 152 LYS H H 7.3599 0.0000 1
482 152 152 LYS C C 177.2538 0.0000 1
483 152 152 LYS CA C 59.8602 0.0000 1
484 152 152 LYS CB C 32.1619 0.0000 1
485 152 152 LYS N N 125.1585 0.0000 1
486 155 155 PRO C C 174.6260 0.0000 1
487 155 155 PRO CA C 63.4463 0.0000 1
488 155 155 PRO CB C 28.8180 0.0000 1
489 156 156 THR H H 7.6748 0.0000 1
490 156 156 THR C C 175.4738 0.0000 1
491 156 156 THR CA C 67.2455 0.0000 1
492 156 156 THR CB C 68.7113 0.0000 1
493 156 156 THR N N 117.0040 0.0000 1
494 157 157 VAL H H 6.5869 0.0000 1
495 157 157 VAL C C 175.8244 0.0000 1
496 157 157 VAL CA C 61.1946 0.0000 1
497 157 157 VAL CB C 31.5940 0.0000 1
498 157 157 VAL N N 116.9817 0.0000 1
499 158 158 VAL H H 7.4898 0.0000 1
500 158 158 VAL C C 177.0811 0.0000 1
501 158 158 VAL CA C 62.2091 0.0000 1
502 158 158 VAL CB C 32.5976 0.0000 1
503 158 158 VAL N N 117.9949 0.0000 1
504 159 159 GLY H H 7.1162 0.0000 1
505 159 159 GLY C C 170.1166 0.0000 1
506 159 159 GLY CA C 47.7396 0.0000 1
507 159 159 GLY N N 103.5500 0.0000 1
508 160 160 PHE H H 7.9290 0.0000 1
509 160 160 PHE CA C 57.3868 0.0000 1
510 160 160 PHE CB C 45.5815 0.0000 1
511 160 160 PHE N N 114.8659 0.0000 1
512 169 169 PRO C C 175.3304 0.0000 1
513 169 169 PRO CA C 63.7934 0.0000 1
514 169 169 PRO CB C 34.1930 0.0000 1
515 170 170 ALA H H 9.2705 0.0000 1
516 170 170 ALA C C 178.1017 0.0000 1
517 170 170 ALA CA C 53.8912 0.0000 1
518 170 170 ALA CB C 18.6824 0.0000 1
519 170 170 ALA N N 128.2700 0.0000 1
520 171 171 CYS H H 9.3928 0.0000 1
521 171 171 CYS C C 171.3246 0.0000 1
522 171 171 CYS CA C 51.7608 0.0000 1
523 171 171 CYS CB C 44.7872 0.0000 1
524 171 171 CYS N N 120.1804 0.0000 1
525 172 172 TRP H H 9.8586 0.0000 1
526 172 172 TRP C C 176.5347 0.0000 1
527 172 172 TRP CA C 56.7528 0.0000 1
528 172 172 TRP CB C 29.5091 0.0000 1
529 172 172 TRP N N 123.4889 0.0000 1
530 173 173 GLY H H 8.8732 0.0000 1
531 173 173 GLY C C 174.1906 0.0000 1
532 173 173 GLY CA C 45.6794 0.0000 1
533 173 173 GLY N N 115.5949 0.0000 1
534 174 174 CYS H H 8.0642 0.0000 1
535 174 174 CYS C C 176.0547 0.0000 1
536 174 174 CYS CA C 61.0870 0.0000 1
537 174 174 CYS CB C 36.4092 0.0000 1
538 174 174 CYS N N 113.8976 0.0000 1
539 175 175 GLY H H 9.8384 0.0000 1
540 175 175 GLY C C 172.8224 0.0000 1
541 175 175 GLY CA C 46.2831 0.0000 1
542 175 175 GLY N N 113.1657 0.0000 1
543 176 176 ASP H H 6.7440 0.0000 1
544 176 176 ASP C C 175.6283 0.0000 1
545 176 176 ASP CA C 50.6460 0.0000 1
546 176 176 ASP CB C 41.7086 0.0000 1
547 176 176 ASP N N 119.8520 0.0000 1
548 177 177 PRO C C 178.8193 0.0000 1
549 177 177 PRO CA C 64.2001 0.0000 1
550 177 177 PRO CB C 32.1566 0.0000 1
551 178 178 SER H H 8.5921 0.0000 1
552 178 178 SER C C 175.5244 0.0000 1
553 178 178 SER CA C 61.3693 0.0000 1
554 178 178 SER CB C 63.8074 0.0000 1
555 178 178 SER N N 114.0730 0.0000 1
556 179 179 ILE H H 7.4511 0.0000 1
557 179 179 ILE C C 176.7526 0.0000 1
558 179 179 ILE CA C 62.4403 0.0000 1
559 179 179 ILE CB C 41.3722 0.0000 1
560 179 179 ILE N N 109.3466 0.0000 1
561 180 180 ASP H H 8.2614 0.0000 1
562 180 180 ASP C C 176.0065 0.0000 1
563 180 180 ASP CA C 55.2352 0.0000 1
564 180 180 ASP CB C 40.9727 0.0000 1
565 180 180 ASP N N 122.3394 0.0000 1
566 181 181 TRP H H 9.3339 0.0000 1
567 181 181 TRP C C 174.8086 0.0000 1
568 181 181 TRP CA C 57.4064 0.0000 1
569 181 181 TRP CB C 31.6456 0.0000 1
570 181 181 TRP N N 133.1688 0.0000 1
571 182 182 ARG H H 7.4821 0.0000 1
572 182 182 ARG C C 177.5299 0.0000 1
573 182 182 ARG CA C 59.2300 0.0000 1
574 182 182 ARG CB C 28.0868 0.0000 1
575 182 182 ARG N N 118.4775 0.0000 1
576 183 183 LEU H H 6.1574 0.0000 1
577 183 183 LEU C C 179.0121 0.0000 1
578 183 183 LEU CA C 56.4580 0.0000 1
579 183 183 LEU CB C 41.5852 0.0000 1
580 183 183 LEU N N 113.7871 0.0000 1
581 184 184 ALA H H 6.9690 0.0000 1
582 184 184 ALA C C 178.3090 0.0000 1
583 184 184 ALA CA C 54.9454 0.0000 1
584 184 184 ALA CB C 16.1758 0.0000 1
585 184 184 ALA N N 122.6691 0.0000 1
586 185 185 ALA H H 7.8709 0.0000 1
587 185 185 ALA C C 180.1047 0.0000 1
588 185 185 ALA CA C 54.4235 0.0000 1
589 185 185 ALA CB C 17.7531 0.0000 1
590 185 185 ALA N N 119.0978 0.0000 1
591 186 186 GLU H H 6.9108 0.0000 1
592 186 186 GLU C C 178.0416 0.0000 1
593 186 186 GLU CA C 59.6910 0.0000 1
594 186 186 GLU CB C 30.4110 0.0000 1
595 186 186 GLU N N 116.1664 0.0000 1
596 187 187 ARG H H 7.5500 0.0000 1
597 187 187 ARG C C 180.2748 0.0000 1
598 187 187 ARG CA C 60.2573 0.0000 1
599 187 187 ARG CB C 30.2892 0.0000 1
600 187 187 ARG N N 116.9674 0.0000 1
601 188 188 ALA H H 8.5944 0.0000 1
602 188 188 ALA C C 179.0682 0.0000 1
603 188 188 ALA CA C 54.7824 0.0000 1
604 188 188 ALA CB C 19.7360 0.0000 1
605 188 188 ALA N N 122.1072 0.0000 1
606 189 189 GLY H H 8.8925 0.0000 1
607 189 189 GLY C C 175.1413 0.0000 1
608 189 189 GLY CA C 47.8196 0.0000 1
609 189 189 GLY N N 107.5080 0.0000 1
610 190 190 ASN H H 8.2826 0.0000 1
611 190 190 ASN C C 178.7806 0.0000 1
612 190 190 ASN CA C 55.7579 0.0000 1
613 190 190 ASN CB C 37.2877 0.0000 1
614 190 190 ASN N N 119.1955 0.0000 1
615 191 191 ALA H H 7.6233 0.0000 1
616 191 191 ALA C C 181.5755 0.0000 1
617 191 191 ALA CA C 55.2802 0.0000 1
618 191 191 ALA CB C 18.4184 0.0000 1
619 191 191 ALA N N 124.6380 0.0000 1
620 192 192 VAL H H 8.1904 0.0000 1
621 192 192 VAL C C 177.9533 0.0000 1
622 192 192 VAL CA C 68.0023 0.0000 1
623 192 192 VAL CB C 31.2669 0.0000 1
624 192 192 VAL N N 121.8253 0.0000 1
625 193 193 LEU H H 8.2122 0.0000 1
626 193 193 LEU C C 178.4503 0.0000 1
627 193 193 LEU CA C 56.6400 0.0000 1
628 193 193 LEU CB C 41.8993 0.0000 1
629 193 193 LEU N N 119.6340 0.0000 1
630 194 194 SER H H 7.4440 0.0000 1
631 194 194 SER C C 175.3096 0.0000 1
632 194 194 SER CA C 61.0831 0.0000 1
633 194 194 SER CB C 63.0844 0.0000 1
634 194 194 SER N N 111.9154 0.0000 1
635 195 195 VAL H H 7.1913 0.0000 1
636 195 195 VAL C C 175.9051 0.0000 1
637 195 195 VAL CA C 64.1868 0.0000 1
638 195 195 VAL CB C 32.0242 0.0000 1
639 195 195 VAL N N 120.3772 0.0000 1
640 196 196 ASN H H 7.6720 0.0000 1
641 196 196 ASN C C 172.5915 0.0000 1
642 196 196 ASN CA C 49.2913 0.0000 1
643 196 196 ASN CB C 38.6010 0.0000 1
644 196 196 ASN N N 112.3029 0.0000 1
645 197 197 PRO C C 175.5782 0.0000 1
646 197 197 PRO CA C 63.8896 0.0000 1
647 197 197 PRO CB C 32.0516 0.0000 1
648 198 198 ASN H H 7.1374 0.0000 1
649 198 198 ASN C C 173.4359 0.0000 1
650 198 198 ASN CA C 53.3913 0.0000 1
651 198 198 ASN CB C 39.3893 0.0000 1
652 198 198 ASN N N 115.3456 0.0000 1
653 199 199 LEU H H 6.3739 0.0000 1
654 199 199 LEU C C 174.4812 0.0000 1
655 199 199 LEU CA C 54.9784 0.0000 1
656 199 199 LEU CB C 43.9685 0.0000 1
657 199 199 LEU N N 117.8084 0.0000 1
658 200 200 LEU H H 7.9562 0.0000 1
659 200 200 LEU C C 175.7531 0.0000 1
660 200 200 LEU CA C 53.8775 0.0000 1
661 200 200 LEU CB C 43.0293 0.0000 1
662 200 200 LEU N N 114.1705 0.0000 1
663 201 201 ILE H H 8.2438 0.0000 1
664 201 201 ILE C C 173.4907 0.0000 1
665 201 201 ILE CA C 57.0600 0.0000 1
666 201 201 ILE CB C 36.0703 0.0000 1
667 201 201 ILE N N 121.7980 0.0000 1
668 202 202 PHE H H 8.9841 0.0000 1
669 202 202 PHE C C 175.5552 0.0000 1
670 202 202 PHE CA C 56.0087 0.0000 1
671 202 202 PHE CB C 40.5429 0.0000 1
672 202 202 PHE N N 124.8455 0.0000 1
673 203 203 VAL H H 8.6696 0.0000 1
674 203 203 VAL C C 176.2659 0.0000 1
675 203 203 VAL CA C 62.5465 0.0000 1
676 203 203 VAL CB C 34.7406 0.0000 1
677 203 203 VAL N N 122.8781 0.0000 1
678 204 204 GLU H H 8.8838 0.0000 1
679 204 204 GLU C C 176.3512 0.0000 1
680 204 204 GLU CA C 55.6967 0.0000 1
681 204 204 GLU CB C 31.2788 0.0000 1
682 204 204 GLU N N 126.7133 0.0000 1
683 205 205 GLY H H 7.7040 0.0000 1
684 205 205 GLY CA C 44.6775 0.0000 1
685 205 205 GLY N N 103.8904 0.0000 1
686 211 211 GLY C C 173.4495 0.0000 1
687 211 211 GLY CA C 45.5581 0.0000 1
688 212 212 ASP H H 8.0546 0.0000 1
689 212 212 ASP C C 176.0711 0.0000 1
690 212 212 ASP CA C 53.6486 0.0000 1
691 212 212 ASP CB C 44.1932 0.0000 1
692 212 212 ASP N N 122.6946 0.0000 1
693 213 213 SER H H 8.3837 0.0000 1
694 213 213 SER C C 172.9419 0.0000 1
695 213 213 SER CA C 58.3647 0.0000 1
696 213 213 SER CB C 65.4535 0.0000 1
697 213 213 SER N N 119.9823 0.0000 1
698 214 214 TYR H H 8.8368 0.0000 1
699 214 214 TYR C C 174.1472 0.0000 1
700 214 214 TYR CA C 55.5215 0.0000 1
701 214 214 TYR CB C 43.1872 0.0000 1
702 214 214 TYR N N 127.6565 0.0000 1
703 215 215 TRP H H 5.5138 0.0000 1
704 215 215 TRP C C 175.6296 0.0000 1
705 215 215 TRP CA C 57.2537 0.0000 1
706 215 215 TRP CB C 29.6962 0.0000 1
707 215 215 TRP N N 123.0177 0.0000 1
708 216 216 TRP H H 8.0719 0.0000 1
709 216 216 TRP C C 176.8763 0.0000 1
710 216 216 TRP CA C 56.9749 0.0000 1
711 216 216 TRP CB C 30.1594 0.0000 1
712 216 216 TRP N N 118.3591 0.0000 1
713 217 217 GLY H H 7.0096 0.0000 1
714 217 217 GLY C C 173.6909 0.0000 1
715 217 217 GLY CA C 46.1927 0.0000 1
716 217 217 GLY N N 106.2158 0.0000 1
717 218 218 GLY H H 8.6531 0.0000 1
718 218 218 GLY C C 171.7310 0.0000 1
719 218 218 GLY CA C 45.9181 0.0000 1
720 218 218 GLY N N 103.3855 0.0000 1
721 219 219 ASN H H 9.3148 0.0000 1
722 219 219 ASN C C 176.5416 0.0000 1
723 219 219 ASN CA C 53.1373 0.0000 1
724 219 219 ASN CB C 38.9136 0.0000 1
725 219 219 ASN N N 115.7027 0.0000 1
726 220 220 LEU H H 8.9825 0.0000 1
727 220 220 LEU C C 179.1152 0.0000 1
728 220 220 LEU CA C 53.9410 0.0000 1
729 220 220 LEU CB C 41.1895 0.0000 1
730 220 220 LEU N N 129.9352 0.0000 1
731 221 221 GLN H H 8.6308 0.0000 1
732 221 221 GLN C C 176.5519 0.0000 1
733 221 221 GLN CA C 60.4376 0.0000 1
734 221 221 GLN CB C 29.9271 0.0000 1
735 221 221 GLN N N 122.6064 0.0000 1
736 222 222 GLY H H 7.8529 0.0000 1
737 222 222 GLY C C 173.6641 0.0000 1
738 222 222 GLY CA C 45.7577 0.0000 1
739 222 222 GLY N N 103.3276 0.0000 1
740 223 223 ALA H H 6.4230 0.0000 1
741 223 223 ALA C C 177.6053 0.0000 1
742 223 223 ALA CA C 54.7738 0.0000 1
743 223 223 ALA CB C 18.3294 0.0000 1
744 223 223 ALA N N 121.4055 0.0000 1
745 224 224 GLY H H 7.6769 0.0000 1
746 224 224 GLY C C 175.0133 0.0000 1
747 224 224 GLY CA C 46.4709 0.0000 1
748 224 224 GLY N N 102.5924 0.0000 1
749 225 225 GLN H H 7.8266 0.0000 1
750 225 225 GLN C C 175.3757 0.0000 1
751 225 225 GLN CA C 56.7706 0.0000 1
752 225 225 GLN CB C 30.1590 0.0000 1
753 225 225 GLN N N 119.0954 0.0000 1
754 226 226 TYR H H 8.2408 0.0000 1
755 226 226 TYR C C 171.7272 0.0000 1
756 226 226 TYR CA C 54.4130 0.0000 1
757 226 226 TYR CB C 38.4430 0.0000 1
758 226 226 TYR N N 116.9610 0.0000 1
759 227 227 PRO C C 178.7671 0.0000 1
760 227 227 PRO CA C 63.1758 0.0000 1
761 227 227 PRO CB C 32.5863 0.0000 1
762 228 228 VAL H H 7.4267 0.0000 1
763 228 228 VAL C C 174.5261 0.0000 1
764 228 228 VAL CA C 63.4645 0.0000 1
765 228 228 VAL CB C 32.1024 0.0000 1
766 228 228 VAL N N 121.5128 0.0000 1
767 229 229 VAL H H 9.7256 0.0000 1
768 229 229 VAL C C 175.1349 0.0000 1
769 229 229 VAL CA C 62.5739 0.0000 1
770 229 229 VAL CB C 31.4684 0.0000 1
771 229 229 VAL N N 132.1568 0.0000 1
772 230 230 LEU H H 7.8498 0.0000 1
773 230 230 LEU C C 178.6206 0.0000 1
774 230 230 LEU CA C 52.6167 0.0000 1
775 230 230 LEU CB C 42.8541 0.0000 1
776 230 230 LEU N N 124.2117 0.0000 1
777 231 231 ASN H H 9.2049 0.0000 1
778 231 231 ASN C C 175.0294 0.0000 1
779 231 231 ASN CA C 54.1962 0.0000 1
780 231 231 ASN CB C 38.3250 0.0000 1
781 231 231 ASN N N 116.9725 0.0000 1
782 232 232 VAL H H 6.4656 0.0000 1
783 232 232 VAL C C 173.2572 0.0000 1
784 232 232 VAL CA C 59.1082 0.0000 1
785 232 232 VAL CB C 34.3516 0.0000 1
786 232 232 VAL N N 118.2906 0.0000 1
787 233 233 PRO C C 176.4387 0.0000 1
788 233 233 PRO CA C 62.6148 0.0000 1
789 233 233 PRO CB C 32.5697 0.0000 1
790 234 234 ASN H H 8.6412 0.0000 1
791 234 234 ASN C C 177.3072 0.0000 1
792 234 234 ASN CA C 55.7074 0.0000 1
793 234 234 ASN CB C 36.2357 0.0000 1
794 234 234 ASN N N 112.8165 0.0000 1
795 235 235 ARG H H 8.7889 0.0000 1
796 235 235 ARG C C 173.7939 0.0000 1
797 235 235 ARG CA C 54.0530 0.0000 1
798 235 235 ARG CB C 31.8093 0.0000 1
799 235 235 ARG N N 116.1046 0.0000 1
800 236 236 LEU H H 6.8521 0.0000 1
801 236 236 LEU C C 175.0941 0.0000 1
802 236 236 LEU CA C 54.8679 0.0000 1
803 236 236 LEU CB C 44.1770 0.0000 1
804 236 236 LEU N N 120.6776 0.0000 1
805 237 237 VAL H H 8.6477 0.0000 1
806 237 237 VAL C C 175.9703 0.0000 1
807 237 237 VAL CA C 61.1072 0.0000 1
808 237 237 VAL CB C 34.5029 0.0000 1
809 237 237 VAL N N 126.9130 0.0000 1
810 238 238 TYR H H 7.7772 0.0000 1
811 238 238 TYR C C 176.0883 0.0000 1
812 238 238 TYR CA C 58.7937 0.0000 1
813 238 238 TYR CB C 41.1665 0.0000 1
814 238 238 TYR N N 124.4235 0.0000 1
815 239 239 SER H H 9.2082 0.0000 1
816 239 239 SER C C 170.3878 0.0000 1
817 239 239 SER CA C 54.6017 0.0000 1
818 239 239 SER CB C 66.2244 0.0000 1
819 239 239 SER N N 115.3187 0.0000 1
820 240 240 ALA H H 7.6920 0.0000 1
821 240 240 ALA C C 176.6657 0.0000 1
822 240 240 ALA CA C 49.0568 0.0000 1
823 240 240 ALA CB C 23.0310 0.0000 1
824 240 240 ALA N N 124.4600 0.0000 1
825 241 241 HIS H H 6.2073 0.0000 1
826 241 241 HIS C C 171.2399 0.0000 1
827 241 241 HIS CA C 52.5925 0.0000 1
828 241 241 HIS CB C 32.9247 0.0000 1
829 241 241 HIS N N 117.1947 0.0000 1
830 243 243 TYR C C 171.3995 0.0000 1
831 243 243 TYR CA C 57.5657 0.0000 1
832 243 243 TYR CB C 42.3674 0.0000 1
833 244 244 ALA H H 7.4569 0.0000 1
834 244 244 ALA C C 177.0290 0.0000 1
835 244 244 ALA CA C 50.6594 0.0000 1
836 244 244 ALA CB C 16.1105 0.0000 1
837 244 244 ALA N N 121.6272 0.0000 1
838 245 245 THR H H 7.6500 0.0000 1
839 245 245 THR C C 177.6054 0.0000 1
840 245 245 THR CA C 64.5023 0.0000 1
841 245 245 THR CB C 69.1429 0.0000 1
842 245 245 THR N N 109.0510 0.0000 1
843 246 246 SER H H 8.8851 0.0000 1
844 246 246 SER C C 174.4520 0.0000 1
845 246 246 SER CA C 61.5163 0.0000 1
846 246 246 SER CB C 63.2147 0.0000 1
847 246 246 SER N N 118.4520 0.0000 1
848 247 247 VAL H H 7.2359 0.0000 1
849 247 247 VAL C C 176.7645 0.0000 1
850 247 247 VAL CA C 65.0713 0.0000 1
851 247 247 VAL CB C 31.8449 0.0000 1
852 247 247 VAL N N 122.2450 0.0000 1
853 248 248 GLY H H 7.8328 0.0000 1
854 248 248 GLY C C 168.8959 0.0000 1
855 248 248 GLY CA C 45.7945 0.0000 1
856 248 248 GLY N N 107.5897 0.0000 1
857 251 251 THR CA C 67.0272 0.0000 1
858 251 251 THR CB C 68.5350 0.0000 1
859 252 252 TRP H H 8.3243 0.0000 1
860 252 252 TRP CA C 59.9503 0.0000 1
861 252 252 TRP CB C 28.2654 0.0000 1
862 252 252 TRP N N 123.8806 0.0000 1
863 256 256 PRO C C 177.7033 0.0000 1
864 256 256 PRO CA C 64.9331 0.0000 1
865 256 256 PRO CB C 32.2371 0.0000 1
866 257 257 THR H H 9.2200 0.0000 1
867 257 257 THR C C 174.7765 0.0000 1
868 257 257 THR CA C 61.8014 0.0000 1
869 257 257 THR CB C 70.0964 0.0000 1
870 257 257 THR N N 109.3894 0.0000 1
871 258 258 PHE H H 8.0721 0.0000 1
872 258 258 PHE C C 175.3786 0.0000 1
873 258 258 PHE CA C 56.7270 0.0000 1
874 258 258 PHE CB C 39.9145 0.0000 1
875 258 258 PHE N N 125.7070 0.0000 1
876 259 259 PRO C C 176.7480 0.0000 1
877 259 259 PRO CA C 64.5326 0.0000 1
878 259 259 PRO CB C 32.6894 0.0000 1
879 260 260 ASN H H 9.2429 0.0000 1
880 260 260 ASN C C 174.6056 0.0000 1
881 260 260 ASN CA C 56.0614 0.0000 1
882 260 260 ASN CB C 38.1437 0.0000 1
883 260 260 ASN N N 126.6364 0.0000 1
884 261 261 ASN H H 8.9402 0.0000 1
885 261 261 ASN C C 176.3604 0.0000 1
886 261 261 ASN CA C 53.9779 0.0000 1
887 261 261 ASN CB C 35.8789 0.0000 1
888 261 261 ASN N N 114.2592 0.0000 1
889 262 262 MET H H 7.2717 0.0000 1
890 262 262 MET C C 174.1119 0.0000 1
891 262 262 MET CA C 56.1674 0.0000 1
892 262 262 MET CB C 24.7590 0.0000 1
893 262 262 MET N N 120.0025 0.0000 1
894 263 263 PRO C C 177.5724 0.0000 1
895 263 263 PRO CA C 66.4239 0.0000 1
896 263 263 PRO CB C 30.4136 0.0000 1
897 264 264 GLY H H 7.6875 0.0000 1
898 264 264 GLY C C 176.4873 0.0000 1
899 264 264 GLY CA C 47.0650 0.0000 1
900 264 264 GLY N N 102.5847 0.0000 1
901 265 265 ILE H H 6.9495 0.0000 1
902 265 265 ILE C C 178.4983 0.0000 1
903 265 265 ILE CA C 63.9580 0.0000 1
904 265 265 ILE CB C 36.9969 0.0000 1
905 265 265 ILE N N 125.2875 0.0000 1
906 266 266 TRP H H 8.0908 0.0000 1
907 266 266 TRP C C 179.5068 0.0000 1
908 266 266 TRP CA C 58.7284 0.0000 1
909 266 266 TRP CB C 27.8753 0.0000 1
910 266 266 TRP N N 123.1524 0.0000 1
911 267 267 ASN H H 9.1336 0.0000 1
912 267 267 ASN C C 176.2659 0.0000 1
913 267 267 ASN CA C 55.9917 0.0000 1
914 267 267 ASN CB C 38.1411 0.0000 1
915 267 267 ASN N N 118.6414 0.0000 1
916 268 268 LYS H H 7.2838 0.0000 1
917 268 268 LYS C C 176.7232 0.0000 1
918 268 268 LYS CA C 58.9228 0.0000 1
919 268 268 LYS CB C 32.5468 0.0000 1
920 268 268 LYS N N 116.2942 0.0000 1
921 269 269 ASN H H 7.0146 0.0000 1
922 269 269 ASN C C 174.5500 0.0000 1
923 269 269 ASN CA C 57.4356 0.0000 1
924 269 269 ASN CB C 41.8242 0.0000 1
925 269 269 ASN N N 111.9272 0.0000 1
926 270 270 TRP H H 7.5267 0.0000 1
927 270 270 TRP C C 176.0146 0.0000 1
928 270 270 TRP CA C 58.7928 0.0000 1
929 270 270 TRP CB C 30.4475 0.0000 1
930 270 270 TRP N N 110.6995 0.0000 1
931 271 271 GLY H H 8.7638 0.0000 1
932 271 271 GLY C C 177.0033 0.0000 1
933 271 271 GLY CA C 47.9449 0.0000 1
934 271 271 GLY N N 110.5908 0.0000 1
935 272 272 TYR H H 9.3327 0.0000 1
936 272 272 TYR C C 175.8765 0.0000 1
937 272 272 TYR CA C 60.5559 0.0000 1
938 272 272 TYR CB C 35.4900 0.0000 1
939 272 272 TYR N N 120.5067 0.0000 1
940 273 273 LEU H H 6.2576 0.0000 1
941 273 273 LEU C C 177.6111 0.0000 1
942 273 273 LEU CA C 57.6657 0.0000 1
943 273 273 LEU CB C 42.5532 0.0000 1
944 273 273 LEU N N 122.2160 0.0000 1
945 274 274 PHE H H 7.0468 0.0000 1
946 274 274 PHE C C 179.5468 0.0000 1
947 274 274 PHE CA C 60.3871 0.0000 1
948 274 274 PHE CB C 41.9675 0.0000 1
949 274 274 PHE N N 119.5388 0.0000 1
950 275 275 ASN H H 8.8045 0.0000 1
951 275 275 ASN C C 176.9179 0.0000 1
952 275 275 ASN CA C 56.2853 0.0000 1
953 275 275 ASN CB C 37.9909 0.0000 1
954 275 275 ASN N N 121.2421 0.0000 1
955 276 276 GLN H H 8.1047 0.0000 1
956 276 276 GLN C C 175.0647 0.0000 1
957 276 276 GLN CA C 55.7226 0.0000 1
958 276 276 GLN CB C 28.4858 0.0000 1
959 276 276 GLN N N 114.3235 0.0000 1
960 277 277 ASN H H 8.0409 0.0000 1
961 277 277 ASN C C 173.5275 0.0000 1
962 277 277 ASN CA C 54.4900 0.0000 1
963 277 277 ASN CB C 37.6169 0.0000 1
964 277 277 ASN N N 117.3976 0.0000 1
965 278 278 ILE H H 8.2774 0.0000 1
966 278 278 ILE C C 176.4984 0.0000 1
967 278 278 ILE CA C 64.0913 0.0000 1
968 278 278 ILE CB C 38.1363 0.0000 1
969 278 278 ILE N N 117.8470 0.0000 1
970 279 279 ALA H H 7.5310 0.0000 1
971 279 279 ALA C C 172.2391 0.0000 1
972 279 279 ALA CA C 50.4984 0.0000 1
973 279 279 ALA CB C 20.0440 0.0000 1
974 279 279 ALA N N 119.8059 0.0000 1
975 280 280 PRO C C 175.1697 0.0000 1
976 280 280 PRO CA C 62.1685 0.0000 1
977 280 280 PRO CB C 30.9799 0.0000 1
978 281 281 VAL H H 7.8561 0.0000 1
979 281 281 VAL C C 174.2329 0.0000 1
980 281 281 VAL CA C 61.0755 0.0000 1
981 281 281 VAL CB C 35.4793 0.0000 1
982 281 281 VAL N N 116.5828 0.0000 1
983 282 282 TRP H H 9.4816 0.0000 1
984 282 282 TRP C C 175.1572 0.0000 1
985 282 282 TRP CA C 52.1745 0.0000 1
986 282 282 TRP CB C 31.9108 0.0000 1
987 282 282 TRP N N 127.4009 0.0000 1
988 283 283 LEU H H 9.4247 0.0000 1
989 283 283 LEU C C 173.7038 0.0000 1
990 283 283 LEU CA C 53.2928 0.0000 1
991 283 283 LEU CB C 39.9186 0.0000 1
992 283 283 LEU N N 136.3764 0.0000 1
993 284 284 GLY H H 7.4425 0.0000 1
994 284 284 GLY C C 173.3463 0.0000 1
995 284 284 GLY CA C 44.3095 0.0000 1
996 284 284 GLY N N 113.4312 0.0000 1
997 285 285 GLU H H 6.5060 0.0000 1
998 285 285 GLU C C 173.7306 0.0000 1
999 285 285 GLU CA C 57.9202 0.0000 1
1000 285 285 GLU CB C 34.7283 0.0000 1
1001 285 285 GLU N N 112.7444 0.0000 1
1002 286 286 PHE H H 6.2983 0.0000 1
1003 286 286 PHE C C 173.0675 0.0000 1
1004 286 286 PHE CA C 56.6867 0.0000 1
1005 286 286 PHE CB C 38.6311 0.0000 1
1006 286 286 PHE N N 114.2305 0.0000 1
1007 287 287 GLY H H 6.7095 0.0000 1
1008 287 287 GLY C C 170.8919 0.0000 1
1009 287 287 GLY CA C 46.4575 0.0000 1
1010 287 287 GLY N N 106.0143 0.0000 1
1011 288 288 THR H H 8.3337 0.0000 1
1012 288 288 THR C C 171.2905 0.0000 1
1013 288 288 THR CA C 61.0565 0.0000 1
1014 288 288 THR CB C 65.8964 0.0000 1
1015 288 288 THR N N 113.7783 0.0000 1
1016 289 289 THR H H 7.0834 0.0000 1
1017 289 289 THR C C 176.5781 0.0000 1
1018 289 289 THR CA C 62.6923 0.0000 1
1019 289 289 THR CB C 69.8226 0.0000 1
1020 289 289 THR N N 116.9835 0.0000 1
1021 290 290 LEU H H 9.1887 0.0000 1
1022 290 290 LEU C C 175.8436 0.0000 1
1023 290 290 LEU CB C 42.9664 0.0000 1
1024 290 290 LEU N N 116.4908 0.0000 1
1025 294 294 THR C C 175.4776 0.0000 1
1026 294 294 THR CA C 67.1621 0.0000 1
1027 294 294 THR CB C 68.8269 0.0000 1
1028 295 295 ASP H H 7.4720 0.0000 1
1029 295 295 ASP C C 178.9189 0.0000 1
1030 295 295 ASP CA C 57.6109 0.0000 1
1031 295 295 ASP CB C 39.1279 0.0000 1
1032 295 295 ASP N N 123.7584 0.0000 1
1033 296 296 GLN H H 7.8895 0.0000 1
1034 296 296 GLN C C 178.0846 0.0000 1
1035 296 296 GLN CA C 59.5883 0.0000 1
1036 296 296 GLN CB C 27.9816 0.0000 1
1037 296 296 GLN N N 120.3060 0.0000 1
1038 297 297 THR H H 8.5793 0.0000 1
1039 297 297 THR C C 177.9573 0.0000 1
1040 297 297 THR CA C 67.0376 0.0000 1
1041 297 297 THR CB C 68.6591 0.0000 1
1042 297 297 THR N N 116.6435 0.0000 1
1043 298 298 TRP H H 9.5797 0.0000 1
1044 298 298 TRP C C 175.6897 0.0000 1
1045 298 298 TRP CA C 63.2836 0.0000 1
1046 298 298 TRP CB C 29.2808 0.0000 1
1047 298 298 TRP N N 126.4874 0.0000 1
1048 299 299 LEU H H 8.7353 0.0000 1
1049 299 299 LEU C C 178.1647 0.0000 1
1050 299 299 LEU CA C 57.9465 0.0000 1
1051 299 299 LEU CB C 40.2896 0.0000 1
1052 299 299 LEU N N 119.5504 0.0000 1
1053 300 300 LYS H H 8.0950 0.0000 1
1054 300 300 LYS C C 179.6988 0.0000 1
1055 300 300 LYS CA C 60.1145 0.0000 1
1056 300 300 LYS CB C 33.0218 0.0000 1
1057 300 300 LYS N N 116.5733 0.0000 1
1058 301 301 THR H H 7.9815 0.0000 1
1059 301 301 THR C C 176.0245 0.0000 1
1060 301 301 THR CA C 67.0963 0.0000 1
1061 301 301 THR CB C 69.0548 0.0000 1
1062 301 301 THR N N 116.3862 0.0000 1
1063 302 302 LEU H H 8.8760 0.0000 1
1064 302 302 LEU C C 177.4640 0.0000 1
1065 302 302 LEU CA C 57.3396 0.0000 1
1066 302 302 LEU CB C 40.7682 0.0000 1
1067 302 302 LEU N N 127.1133 0.0000 1
1068 303 303 VAL H H 8.2236 0.0000 1
1069 303 303 VAL C C 176.4500 0.0000 1
1070 303 303 VAL CA C 67.9345 0.0000 1
1071 303 303 VAL CB C 31.2087 0.0000 1
1072 303 303 VAL N N 118.0288 0.0000 1
1073 304 304 GLN H H 6.7455 0.0000 1
1074 304 304 GLN C C 179.6350 0.0000 1
1075 304 304 GLN CA C 58.7721 0.0000 1
1076 304 304 GLN CB C 28.2177 0.0000 1
1077 304 304 GLN N N 112.7247 0.0000 1
1078 305 305 TYR H H 8.0036 0.0000 1
1079 305 305 TYR C C 175.9088 0.0000 1
1080 305 305 TYR CA C 61.5695 0.0000 1
1081 305 305 TYR CB C 39.3059 0.0000 1
1082 305 305 TYR N N 123.8012 0.0000 1
1083 306 306 LEU H H 8.1203 0.0000 1
1084 306 306 LEU C C 177.8581 0.0000 1
1085 306 306 LEU CA C 56.9615 0.0000 1
1086 306 306 LEU CB C 41.7966 0.0000 1
1087 306 306 LEU N N 115.9619 0.0000 1
1088 307 307 ARG H H 7.2237 0.0000 1
1089 307 307 ARG C C 173.1488 0.0000 1
1090 307 307 ARG CA C 57.3604 0.0000 1
1091 307 307 ARG CB C 26.4259 0.0000 1
1092 307 307 ARG N N 106.3803 0.0000 1
1093 308 308 PRO C C 176.6089 0.0000 1
1094 308 308 PRO CA C 63.9042 0.0000 1
1095 308 308 PRO CB C 33.5125 0.0000 1
1096 309 309 THR H H 8.8680 0.0000 1
1097 309 309 THR C C 176.6835 0.0000 1
1098 309 309 THR CA C 65.2566 0.0000 1
1099 309 309 THR CB C 69.4318 0.0000 1
1100 309 309 THR N N 123.1316 0.0000 1
1101 310 310 ALA C C 177.9195 0.0000 1
1102 310 310 ALA CA C 55.4188 0.0000 1
1103 310 310 ALA CB C 17.8902 0.0000 1
1104 311 311 GLN H H 6.6489 0.0000 1
1105 311 311 GLN C C 176.6389 0.0000 1
1106 311 311 GLN CA C 57.2728 0.0000 1
1107 311 311 GLN CB C 30.9322 0.0000 1
1108 311 311 GLN N N 111.9492 0.0000 1
1109 312 312 TYR H H 7.7787 0.0000 1
1110 312 312 TYR C C 176.2349 0.0000 1
1111 312 312 TYR CA C 58.6595 0.0000 1
1112 312 312 TYR CB C 40.0507 0.0000 1
1113 312 312 TYR N N 114.9368 0.0000 1
1114 313 313 GLY H H 8.9054 0.0000 1
1115 313 313 GLY C C 173.5907 0.0000 1
1116 313 313 GLY CA C 47.0962 0.0000 1
1117 313 313 GLY N N 112.9048 0.0000 1
1118 314 314 ALA C C 176.5558 0.0000 1
1119 314 314 ALA CA C 51.8126 0.0000 1
1120 314 314 ALA CB C 18.5237 0.0000 1
1121 315 315 ASP H H 8.0093 0.0000 1
1122 315 315 ASP C C 176.8142 0.0000 1
1123 315 315 ASP CA C 52.7690 0.0000 1
1124 315 315 ASP CB C 38.1759 0.0000 1
1125 315 315 ASP N N 122.2848 0.0000 1
1126 316 316 SER H H 8.3614 0.0000 1
1127 316 316 SER C C 171.7281 0.0000 1
1128 316 316 SER CA C 57.4246 0.0000 1
1129 316 316 SER CB C 63.8952 0.0000 1
1130 316 316 SER N N 112.4922 0.0000 1
1131 317 317 PHE H H 7.1175 0.0000 1
1132 317 317 PHE C C 177.7987 0.0000 1
1133 317 317 PHE CA C 60.4532 0.0000 1
1134 317 317 PHE CB C 40.3787 0.0000 1
1135 317 317 PHE N N 113.9845 0.0000 1
1136 318 318 GLN H H 8.9547 0.0000 1
1137 318 318 GLN C C 177.4538 0.0000 1
1138 318 318 GLN CA C 52.8332 0.0000 1
1139 318 318 GLN CB C 27.3537 0.0000 1
1140 318 318 GLN N N 120.9202 0.0000 1
1141 319 319 TRP H H 9.4658 0.0000 1
1142 319 319 TRP C C 174.7513 0.0000 1
1143 319 319 TRP CA C 56.9573 0.0000 1
1144 319 319 TRP CB C 31.1769 0.0000 1
1145 319 319 TRP N N 121.1672 0.0000 1
1146 320 320 THR H H 9.0573 0.0000 1
1147 320 320 THR C C 172.9782 0.0000 1
1148 320 320 THR CA C 59.9547 0.0000 1
1149 320 320 THR CB C 71.7573 0.0000 1
1150 320 320 THR N N 109.7721 0.0000 1
1151 321 321 PHE H H 8.6294 0.0000 1
1152 321 321 PHE C C 175.7411 0.0000 1
1153 321 321 PHE CA C 58.4709 0.0000 1
1154 321 321 PHE CB C 41.8064 0.0000 1
1155 321 321 PHE N N 124.0915 0.0000 1
1156 322 322 TRP H H 8.6697 0.0000 1
1157 322 322 TRP C C 172.6843 0.0000 1
1158 322 322 TRP CA C 52.2502 0.0000 1
1159 322 322 TRP CB C 31.0138 0.0000 1
1160 322 322 TRP N N 132.4621 0.0000 1
1161 323 323 SER H H 6.5341 0.0000 1
1162 323 323 SER C C 172.3526 0.0000 1
1163 323 323 SER CA C 59.6767 0.0000 1
1164 323 323 SER CB C 67.7811 0.0000 1
1165 323 323 SER N N 114.3562 0.0000 1
1166 324 324 TRP H H 9.0922 0.0000 1
1167 324 324 TRP C C 173.6339 0.0000 1
1168 324 324 TRP CA C 59.9010 0.0000 1
1169 324 324 TRP CB C 31.6579 0.0000 1
1170 324 324 TRP N N 121.0013 0.0000 1
1171 333 333 GLY C C 174.4715 0.0000 1
1172 333 333 GLY CA C 45.9285 0.0000 1
1173 334 334 ILE H H 7.7031 0.0000 1
1174 334 334 ILE C C 176.0341 0.0000 1
1175 334 334 ILE CA C 59.8556 0.0000 1
1176 334 334 ILE CB C 37.0816 0.0000 1
1177 334 334 ILE N N 119.8848 0.0000 1
1178 335 335 LEU H H 6.6326 0.0000 1
1179 335 335 LEU C C 177.6732 0.0000 1
1180 335 335 LEU CA C 53.9267 0.0000 1
1181 335 335 LEU CB C 43.1465 0.0000 1
1182 335 335 LEU N N 116.9994 0.0000 1
1183 336 336 LYS H H 8.0468 0.0000 1
1184 336 336 LYS C C 176.9363 0.0000 1
1185 336 336 LYS CA C 55.3138 0.0000 1
1186 336 336 LYS CB C 32.2348 0.0000 1
1187 336 336 LYS N N 116.3843 0.0000 1
1188 337 337 ASP H H 7.8392 0.0000 1
1189 337 337 ASP C C 175.1039 0.0000 1
1190 337 337 ASP CA C 56.7260 0.0000 1
1191 337 337 ASP CB C 40.5209 0.0000 1
1192 337 337 ASP N N 115.4493 0.0000 1
1193 338 338 ASP H H 7.1160 0.0000 1
1194 338 338 ASP C C 176.5996 0.0000 1
1195 338 338 ASP CA C 53.6785 0.0000 1
1196 338 338 ASP CB C 39.7837 0.0000 1
1197 338 338 ASP N N 116.1785 0.0000 1
1198 339 339 TRP H H 8.6368 0.0000 1
1199 339 339 TRP C C 173.2820 0.0000 1
1200 339 339 TRP CA C 61.0065 0.0000 1
1201 339 339 TRP CB C 24.5639 0.0000 1
1202 339 339 TRP N N 113.5834 0.0000 1
1203 340 340 GLN H H 8.2536 0.0000 1
1204 340 340 GLN C C 174.8031 0.0000 1
1205 340 340 GLN CA C 58.4936 0.0000 1
1206 340 340 GLN CB C 33.1218 0.0000 1
1207 340 340 GLN N N 114.6723 0.0000 1
1208 341 341 THR H H 9.9368 0.0000 1
1209 341 341 THR C C 172.9026 0.0000 1
1210 341 341 THR CA C 63.7689 0.0000 1
1211 341 341 THR CB C 68.2105 0.0000 1
1212 341 341 THR N N 121.9491 0.0000 1
1213 342 342 VAL H H 8.1822 0.0000 1
1214 342 342 VAL C C 176.1826 0.0000 1
1215 342 342 VAL CA C 62.1266 0.0000 1
1216 342 342 VAL CB C 33.5927 0.0000 1
1217 342 342 VAL N N 125.6550 0.0000 1
1218 343 343 ASP H H 9.3512 0.0000 1
1219 343 343 ASP C C 175.1039 0.0000 1
1220 343 343 ASP CA C 52.8074 0.0000 1
1221 343 343 ASP CB C 39.1701 0.0000 1
1222 343 343 ASP N N 125.3357 0.0000 1
1223 344 344 THR H H 7.6753 0.0000 1
1224 344 344 THR C C 177.7265 0.0000 1
1225 344 344 THR CA C 64.4875 0.0000 1
1226 344 344 THR CB C 68.3036 0.0000 1
1227 344 344 THR N N 118.1209 0.0000 1
1228 345 345 VAL H H 7.8221 0.0000 1
1229 345 345 VAL C C 178.2486 0.0000 1
1230 345 345 VAL CA C 66.0445 0.0000 1
1231 345 345 VAL CB C 31.2981 0.0000 1
1232 345 345 VAL N N 124.7913 0.0000 1
1233 346 346 LYS H H 7.7132 0.0000 1
1234 346 346 LYS C C 177.7742 0.0000 1
1235 346 346 LYS CA C 60.4675 0.0000 1
1236 346 346 LYS CB C 32.7260 0.0000 1
1237 346 346 LYS N N 121.7594 0.0000 1
1238 347 347 ASP H H 8.0956 0.0000 1
1239 347 347 ASP C C 178.7244 0.0000 1
1240 347 347 ASP CA C 58.1031 0.0000 1
1241 347 347 ASP CB C 43.5928 0.0000 1
1242 347 347 ASP N N 114.5536 0.0000 1
1243 348 348 GLY H H 7.8083 0.0000 1
1244 348 348 GLY C C 177.3359 0.0000 1
1245 348 348 GLY CA C 47.0774 0.0000 1
1246 348 348 GLY N N 104.8538 0.0000 1
1247 349 349 TYR H H 7.8419 0.0000 1
1248 349 349 TYR C C 176.9863 0.0000 1
1249 349 349 TYR CA C 61.3730 0.0000 1
1250 349 349 TYR CB C 38.8023 0.0000 1
1251 349 349 TYR N N 120.6702 0.0000 1
1252 350 350 LEU H H 7.0115 0.0000 1
1253 350 350 LEU C C 176.7128 0.0000 1
1254 350 350 LEU CA C 54.0646 0.0000 1
1255 350 350 LEU CB C 41.1155 0.0000 1
1256 350 350 LEU N N 112.9948 0.0000 1
1257 351 351 ALA H H 6.9744 0.0000 1
1258 351 351 ALA C C 176.6727 0.0000 1
1259 351 351 ALA CA C 57.0630 0.0000 1
1260 351 351 ALA CB C 16.5723 0.0000 1
1261 351 351 ALA N N 121.3198 0.0000 1
1262 352 352 PRO C C 178.4759 0.0000 1
1263 352 352 PRO CA C 65.4180 0.0000 1
1264 352 352 PRO CB C 32.7698 0.0000 1
1265 353 353 ILE H H 7.5877 0.0000 1
1266 353 353 ILE C C 175.8938 0.0000 1
1267 353 353 ILE CA C 61.1845 0.0000 1
1268 353 353 ILE CB C 37.9646 0.0000 1
1269 353 353 ILE N N 106.4252 0.0000 1
1270 354 354 LYS H H 7.2352 0.0000 1
1271 354 354 LYS C C 177.9142 0.0000 1
1272 354 354 LYS CA C 58.8182 0.0000 1
1273 354 354 LYS CB C 34.3437 0.0000 1
1274 354 354 LYS N N 122.4491 0.0000 1
1275 355 355 SER H H 9.9496 0.0000 1
1276 355 355 SER C C 173.0288 0.0000 1
1277 355 355 SER CA C 55.1479 0.0000 1
1278 355 355 SER CB C 64.6907 0.0000 1
1279 355 355 SER N N 120.6124 0.0000 1
1280 356 356 SER C C 174.0328 0.0000 1
1281 356 356 SER CA C 57.3238 0.0000 1
1282 356 356 SER CB C 64.8919 0.0000 1
1283 357 357 ILE H H 7.6706 0.0000 1
1284 357 357 ILE C C 174.1696 0.0000 1
1285 357 357 ILE CA C 59.6289 0.0000 1
1286 357 357 ILE CB C 36.9255 0.0000 1
1287 357 357 ILE N N 120.2795 0.0000 1
1288 358 358 PHE H H 7.6259 0.0000 1
1289 358 358 PHE C C 174.6978 0.0000 1
1290 358 358 PHE CA C 57.2445 0.0000 1
1291 358 358 PHE CB C 39.7618 0.0000 1
1292 358 358 PHE N N 121.7841 0.0000 1
1293 359 359 ASP H H 7.9689 0.0000 1
1294 359 359 ASP C C 175.1925 0.0000 1
1295 359 359 ASP CA C 53.2974 0.0000 1
1296 359 359 ASP CB C 41.3474 0.0000 1
1297 359 359 ASP N N 118.3719 0.0000 1
stop_
save_