data_25265
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structural insight into an essential assembly factor network on the pre-ribosome
;
_BMRB_accession_number 25265
_BMRB_flat_file_name bmr25265.str
_Entry_type original
_Submission_date 2014-10-02
_Accession_date 2014-10-02
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Lee Woonghee . .
2 BaBler Jochen . .
3 Paternoga Helge . .
4 Holdermann Iris . .
5 Thomas Matthias . .
6 Granneman Sander . .
7 Barrio-Garcia Clara . .
8 Nyarko Afua . .
9 Stier Gunter . .
10 Clark Sarah A. .
11 Schraivogel Daniel . .
12 Kallas Martina . .
13 Beckmann Roland . .
14 Tollervey David . .
15 Barbar Elisar . .
16 Sinning Irmi . .
17 Hurt Ed . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 502
"13C chemical shifts" 365
"15N chemical shifts" 86
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2015-08-25 update BMRB 'update entry citation'
2014-12-01 original author 'original release'
stop_
_Original_release_date 2015-08-25
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 25404745
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Lee Woonghee . .
2 BaBler Jochen . .
3 Paternoga Helge . .
4 Holdermann Iris . .
5 Thomas Matthias . .
6 Granneman Sander . .
7 Barrio-Garcia Clara . .
8 Nyarko Afua . .
9 Stier Gunter . .
10 Clark Sarah A. .
11 Schraivogel Daniel . .
12 Kallas Martina . .
13 Beckmann Roland . .
14 Tollervey David . .
15 Barbar Elisar . .
16 Sinning Irmi . .
17 Hurt Ed . .
stop_
_Journal_abbreviation 'J. Cell Biol.'
_Journal_volume 207
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 481
_Page_last 498
_Year 2014
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Uncharacterized protein'
_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 20618.100
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 188
_Mol_residue_sequence
;
YERFIRPMGLRYKKANVTHP
TLNVTVQLPILSVKKNPSNP
LYTQLGVLTKGTIIEVNVSD
LGIVTASGKIAWGRYAQITN
NPENDGCVNAVLLVYERFIR
PMGLRYKKANVTHPTLNVTV
QLPILSVKKNPSNPLYTQLG
VLTKGTIIEVNVSDLGIVTA
SGKIAWGRYAQITNNPENDG
CVNAVLLV
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 168 TYR 2 169 GLU 3 170 ARG 4 171 PHE 5 172 ILE
6 173 ARG 7 174 PRO 8 175 MET 9 176 GLY 10 177 LEU
11 178 ARG 12 179 TYR 13 180 LYS 14 181 LYS 15 182 ALA
16 183 ASN 17 184 VAL 18 185 THR 19 186 HIS 20 187 PRO
21 188 THR 22 189 LEU 23 190 ASN 24 191 VAL 25 192 THR
26 193 VAL 27 194 GLN 28 195 LEU 29 196 PRO 30 197 ILE
31 198 LEU 32 199 SER 33 200 VAL 34 201 LYS 35 202 LYS
36 203 ASN 37 204 PRO 38 205 SER 39 206 ASN 40 207 PRO
41 208 LEU 42 209 TYR 43 210 THR 44 211 GLN 45 212 LEU
46 213 GLY 47 214 VAL 48 215 LEU 49 216 THR 50 217 LYS
51 218 GLY 52 219 THR 53 220 ILE 54 221 ILE 55 222 GLU
56 223 VAL 57 224 ASN 58 225 VAL 59 226 SER 60 227 ASP
61 228 LEU 62 229 GLY 63 230 ILE 64 231 VAL 65 232 THR
66 233 ALA 67 234 SER 68 235 GLY 69 236 LYS 70 237 ILE
71 238 ALA 72 239 TRP 73 240 GLY 74 241 ARG 75 242 TYR
76 243 ALA 77 244 GLN 78 245 ILE 79 246 THR 80 247 ASN
81 248 ASN 82 249 PRO 83 250 GLU 84 251 ASN 85 252 ASP
86 253 GLY 87 254 CYS 88 255 VAL 89 256 ASN 90 257 ALA
91 258 VAL 92 259 LEU 93 260 LEU 94 261 VAL 95 262 TYR
96 263 GLU 97 264 ARG 98 265 PHE 99 266 ILE 100 267 ARG
101 268 PRO 102 269 MET 103 270 GLY 104 271 LEU 105 272 ARG
106 273 TYR 107 274 LYS 108 275 LYS 109 276 ALA 110 277 ASN
111 278 VAL 112 279 THR 113 280 HIS 114 281 PRO 115 282 THR
116 283 LEU 117 284 ASN 118 285 VAL 119 286 THR 120 287 VAL
121 288 GLN 122 289 LEU 123 290 PRO 124 291 ILE 125 292 LEU
126 293 SER 127 294 VAL 128 295 LYS 129 296 LYS 130 297 ASN
131 298 PRO 132 299 SER 133 300 ASN 134 301 PRO 135 302 LEU
136 303 TYR 137 304 THR 138 305 GLN 139 306 LEU 140 307 GLY
141 308 VAL 142 309 LEU 143 310 THR 144 311 LYS 145 312 GLY
146 313 THR 147 314 ILE 148 315 ILE 149 316 GLU 150 317 VAL
151 318 ASN 152 319 VAL 153 320 SER 154 321 ASP 155 322 LEU
156 323 GLY 157 324 ILE 158 325 VAL 159 326 THR 160 327 ALA
161 328 SER 162 329 GLY 163 330 LYS 164 331 ILE 165 332 ALA
166 333 TRP 167 334 GLY 168 335 ARG 169 336 TYR 170 337 ALA
171 338 GLN 172 339 ILE 173 340 THR 174 341 ASN 175 342 ASN
176 343 PRO 177 344 GLU 178 345 ASN 179 346 ASP 180 347 GLY
181 348 CYS 182 349 VAL 183 350 ASN 184 351 ALA 185 352 VAL
186 353 LEU 187 354 LEU 188 355 VAL
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-25
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2MVF "Structural Insight Into An Essential Assembly Factor Network On The Pre-ribosome" 50.00 94 100.00 100.00 1.52e-58
GB AEO54371 "hypothetical protein MYCTH_63776 [Myceliophthora thermophila ATCC 42464]" 50.00 261 98.94 100.00 1.27e-57
GB AEO65388 "hypothetical protein THITE_126245 [Thielavia terrestris NRRL 8126]" 50.00 261 97.87 100.00 1.59e-57
GB EGS23242 "hypothetical protein CTHT_0009080 [Chaetomium thermophilum var. thermophilum DSM 1495]" 50.00 261 100.00 100.00 3.45e-58
REF XP_003651724 "ribosome biogenesis protein NSA2 [Thielavia terrestris NRRL 8126]" 50.00 261 97.87 100.00 1.59e-57
REF XP_003659616 "hypothetical protein MYCTH_63776 [Myceliophthora thermophila ATCC 42464]" 50.00 261 98.94 100.00 1.27e-57
REF XP_006691433 "hypothetical protein CTHT_0009080 [Chaetomium thermophilum var. thermophilum DSM 1495]" 50.00 261 100.00 100.00 3.45e-58
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity ascomycetes 209285 Eukaryota Fungi Chaetomium thermophilum
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 . pET
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
D2O 10 % 'natural abundance'
TRIS 10 mM 'natural abundance'
H2O 90 % 'natural abundance'
'sodium chloride' 5 mM 'natural abundance'
DSS 1 uM 'natural abundance'
TCEP 2 mM 'natural abundance'
$entity 450 mM '[U-99% 13C; U-99% 15N]'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
'PONDEROSA-C/S and NMRFAM-SPARKY' . .
stop_
loop_
_Task
'peak picking'
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 850
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 950
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 5 . mM
pH 7.4 . pH
pressure 1 . atm
temperature 280 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCACB'
'3D H(CCO)NH'
'3D HCCH-TOCSY'
'3D HBHA(CO)NH'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 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
1 168 1 TYR HA H 4.586 0.001 1
2 168 1 TYR HB2 H 2.892 0.001 2
3 168 1 TYR HB3 H 3.080 0.001 2
4 168 1 TYR HD1 H 7.081 0.006 3
5 168 1 TYR HD2 H 7.077 0.001 3
6 168 1 TYR HE1 H 6.803 0.017 3
7 168 1 TYR H H 8.374 0.011 1
8 168 1 TYR C C 175.697 0.000 1
9 168 1 TYR CA C 57.780 0.024 1
10 168 1 TYR CB C 38.570 0.031 1
11 168 1 TYR CD1 C 133.118 0.000 3
12 168 1 TYR CE1 C 118.280 0.009 3
13 168 1 TYR N N 120.788 0.024 1
14 169 2 GLU H H 8.234 0.011 1
15 169 2 GLU HA H 4.218 0.007 1
16 169 2 GLU HB2 H 1.879 0.017 2
17 169 2 GLU HB3 H 1.923 0.008 2
18 169 2 GLU HG2 H 2.176 0.009 2
19 169 2 GLU HG3 H 2.198 0.015 2
20 169 2 GLU C C 175.857 0.000 1
21 169 2 GLU CA C 56.438 0.153 1
22 169 2 GLU CB C 30.555 0.050 1
23 169 2 GLU CG C 36.247 0.016 1
24 169 2 GLU N N 123.017 0.021 1
25 170 3 ARG H H 8.360 0.011 1
26 170 3 ARG HA H 4.221 0.012 1
27 170 3 ARG HB2 H 1.697 0.009 2
28 170 3 ARG HB3 H 1.697 0.010 2
29 170 3 ARG HG2 H 1.482 0.012 2
30 170 3 ARG HG3 H 1.516 0.015 2
31 170 3 ARG HD2 H 3.146 0.002 2
32 170 3 ARG HD3 H 3.146 0.001 2
33 170 3 ARG C C 175.632 0.000 1
34 170 3 ARG CA C 56.653 0.202 1
35 170 3 ARG CB C 30.939 0.038 1
36 170 3 ARG CG C 27.114 0.026 1
37 170 3 ARG CD C 43.381 0.016 1
38 170 3 ARG N N 121.590 0.129 1
39 171 4 PHE H H 8.364 0.010 1
40 171 4 PHE HA H 4.692 0.003 1
41 171 4 PHE HB2 H 3.009 0.003 2
42 171 4 PHE HB3 H 3.091 0.002 2
43 171 4 PHE HD1 H 7.228 0.006 3
44 171 4 PHE HD2 H 7.229 0.007 3
45 171 4 PHE C C 175.340 0.000 1
46 171 4 PHE CA C 57.515 0.012 1
47 171 4 PHE CB C 39.733 0.022 1
48 171 4 PHE N N 121.537 0.103 1
49 172 5 ILE H H 8.357 0.005 1
50 172 5 ILE HA H 4.175 0.009 1
51 172 5 ILE HB H 1.771 0.005 1
52 172 5 ILE HG12 H 1.149 0.074 2
53 172 5 ILE HG13 H 1.394 0.108 2
54 172 5 ILE HG2 H 0.842 0.009 1
55 172 5 ILE HD1 H 0.825 0.008 1
56 172 5 ILE C C 175.368 0.000 1
57 172 5 ILE CA C 60.437 0.028 1
58 172 5 ILE CB C 39.111 0.019 1
59 172 5 ILE CG1 C 27.156 0.022 1
60 172 5 ILE CG2 C 17.463 0.014 1
61 172 5 ILE CD1 C 12.881 0.016 1
62 172 5 ILE N N 123.567 0.026 1
63 173 6 ARG H H 8.497 0.003 1
64 173 6 ARG HA H 4.540 0.007 1
65 173 6 ARG HB2 H 1.826 0.010 2
66 173 6 ARG HB3 H 1.738 0.014 2
67 173 6 ARG HG2 H 1.680 0.009 2
68 173 6 ARG HG3 H 1.681 0.012 2
69 173 6 ARG HD2 H 3.215 0.002 2
70 173 6 ARG HD3 H 3.215 0.003 2
71 173 6 ARG C C 174.024 0.000 1
72 173 6 ARG CA C 54.026 0.015 1
73 173 6 ARG CB C 30.177 0.053 1
74 173 6 ARG CG C 27.163 0.039 1
75 173 6 ARG CD C 43.444 0.005 1
76 173 6 ARG N N 126.630 0.024 1
77 174 7 PRO HA H 4.432 0.010 1
78 174 7 PRO HB2 H 1.917 0.008 2
79 174 7 PRO HB3 H 2.284 0.012 2
80 174 7 PRO HG2 H 1.976 0.008 2
81 174 7 PRO HG3 H 2.009 0.028 2
82 174 7 PRO HD2 H 3.873 0.023 2
83 174 7 PRO HD3 H 3.654 0.003 2
84 174 7 PRO C C 177.033 0.000 1
85 174 7 PRO CA C 62.986 0.026 1
86 174 7 PRO CB C 32.146 0.036 1
87 174 7 PRO CG C 27.391 0.103 1
88 174 7 PRO CD C 50.836 0.143 1
89 175 8 MET H H 8.624 0.002 1
90 175 8 MET HA H 4.433 0.005 1
91 175 8 MET HB2 H 2.040 0.017 2
92 175 8 MET HB3 H 2.044 0.004 2
93 175 8 MET HG2 H 2.573 0.014 2
94 175 8 MET HG3 H 2.597 0.019 2
95 175 8 MET HE H 2.048 0.008 1
96 175 8 MET C C 176.909 0.000 1
97 175 8 MET CA C 55.790 0.012 1
98 175 8 MET CB C 32.922 0.032 1
99 175 8 MET CG C 31.966 0.030 1
100 175 8 MET CE C 16.826 0.000 1
101 175 8 MET N N 121.354 0.034 1
102 176 9 GLY H H 8.521 0.004 1
103 176 9 GLY HA2 H 3.940 0.013 2
104 176 9 GLY HA3 H 3.932 0.015 2
105 176 9 GLY C C 173.994 0.000 1
106 176 9 GLY CA C 45.245 0.027 1
107 176 9 GLY N N 109.774 0.027 1
108 177 10 LEU H H 8.188 0.006 1
109 177 10 LEU HA H 4.299 0.003 1
110 177 10 LEU HB2 H 1.626 0.024 2
111 177 10 LEU HB3 H 1.628 0.032 2
112 177 10 LEU HG H 1.539 0.021 1
113 177 10 LEU HD1 H 0.892 0.008 2
114 177 10 LEU HD2 H 0.906 0.011 2
115 177 10 LEU C C 178.027 0.000 1
116 177 10 LEU CA C 55.010 0.098 1
117 177 10 LEU CB C 42.716 0.076 1
118 177 10 LEU CG C 27.162 0.093 1
119 177 10 LEU CD1 C 23.860 0.337 2
120 177 10 LEU CD2 C 25.028 0.489 2
121 177 10 LEU N N 120.972 0.155 1
122 178 11 ARG H H 8.676 0.003 1
123 178 11 ARG HA H 3.932 0.003 1
124 178 11 ARG HB2 H 1.423 0.006 2
125 178 11 ARG HB3 H 1.620 0.003 2
126 178 11 ARG HG2 H 1.121 0.004 2
127 178 11 ARG HG3 H 1.290 0.006 2
128 178 11 ARG HD2 H 3.019 0.003 2
129 178 11 ARG HD3 H 3.020 0.003 2
130 178 11 ARG C C 175.675 0.000 1
131 178 11 ARG CA C 57.426 0.009 1
132 178 11 ARG CB C 30.615 0.037 1
133 178 11 ARG CG C 26.985 0.039 1
134 178 11 ARG CD C 43.165 0.019 1
135 178 11 ARG N N 121.829 0.028 1
136 179 12 TYR H H 7.149 0.007 1
137 179 12 TYR HA H 4.660 0.005 1
138 179 12 TYR HB2 H 2.478 0.013 2
139 179 12 TYR HB3 H 2.530 0.002 2
140 179 12 TYR HD2 H 7.038 0.008 3
141 179 12 TYR C C 174.647 0.000 1
142 179 12 TYR CA C 56.794 0.066 1
143 179 12 TYR CB C 40.680 0.030 1
144 179 12 TYR N N 115.195 0.071 1
145 180 13 LYS H H 8.749 0.005 1
146 180 13 LYS HA H 4.467 0.006 1
147 180 13 LYS HB2 H 1.751 0.009 2
148 180 13 LYS HB3 H 2.043 0.007 2
149 180 13 LYS HG2 H 1.448 0.022 2
150 180 13 LYS HG3 H 1.468 0.042 2
151 180 13 LYS HD2 H 1.669 0.006 2
152 180 13 LYS HD3 H 1.668 0.008 2
153 180 13 LYS HE2 H 3.016 0.002 2
154 180 13 LYS HE3 H 3.015 0.007 2
155 180 13 LYS C C 177.159 0.000 1
156 180 13 LYS CA C 56.282 0.103 1
157 180 13 LYS CB C 33.887 0.062 1
158 180 13 LYS CG C 25.298 0.000 1
159 180 13 LYS CD C 29.101 0.014 1
160 180 13 LYS CE C 42.219 0.008 1
161 180 13 LYS N N 118.411 0.032 1
162 181 14 LYS H H 7.934 0.006 1
163 181 14 LYS HA H 5.144 0.012 1
164 181 14 LYS HB2 H 1.515 0.005 2
165 181 14 LYS HB3 H 1.619 0.007 2
166 181 14 LYS HG2 H 1.174 0.010 2
167 181 14 LYS HG3 H 1.173 0.011 2
168 181 14 LYS HD2 H 1.486 0.006 2
169 181 14 LYS HD3 H 1.493 0.010 2
170 181 14 LYS HE2 H 2.861 0.009 2
171 181 14 LYS HE3 H 2.844 0.011 2
172 181 14 LYS C C 173.760 0.000 1
173 181 14 LYS CA C 54.499 0.047 1
174 181 14 LYS CB C 37.030 0.051 1
175 181 14 LYS CG C 24.730 0.099 1
176 181 14 LYS CD C 29.746 0.029 1
177 181 14 LYS CE C 42.176 0.016 1
178 181 14 LYS N N 117.926 0.025 1
179 182 15 ALA H H 9.108 0.004 1
180 182 15 ALA HA H 4.880 0.012 1
181 182 15 ALA HB H 0.843 0.013 1
182 182 15 ALA C C 175.287 0.000 1
183 182 15 ALA CA C 49.657 0.000 1
184 182 15 ALA CB C 22.712 0.151 1
185 182 15 ALA N N 121.012 0.031 1
186 183 16 ASN H H 9.303 0.004 1
187 183 16 ASN HA H 4.865 0.012 1
188 183 16 ASN HB2 H 2.286 0.002 2
189 183 16 ASN HB3 H 3.391 0.003 2
190 183 16 ASN HD21 H 7.611 0.000 2
191 183 16 ASN HD22 H 7.277 0.000 2
192 183 16 ASN C C 174.306 0.000 1
193 183 16 ASN CA C 52.808 0.009 1
194 183 16 ASN CB C 37.769 0.025 1
195 183 16 ASN N N 120.384 0.030 1
196 184 17 VAL H H 9.681 0.003 1
197 184 17 VAL HA H 4.780 0.014 1
198 184 17 VAL HB H 2.305 0.011 1
199 184 17 VAL HG1 H 0.857 0.017 2
200 184 17 VAL HG2 H 0.850 0.015 2
201 184 17 VAL C C 174.479 0.000 1
202 184 17 VAL CA C 61.981 0.127 1
203 184 17 VAL CB C 32.983 0.061 1
204 184 17 VAL CG1 C 22.802 0.115 2
205 184 17 VAL CG2 C 22.852 0.191 2
206 184 17 VAL N N 130.615 0.025 1
207 185 18 THR H H 9.208 0.007 1
208 185 18 THR HA H 5.321 0.007 1
209 185 18 THR HB H 3.840 0.015 1
210 185 18 THR HG2 H 1.022 0.014 1
211 185 18 THR C C 173.324 0.000 1
212 185 18 THR CA C 61.313 0.000 1
213 185 18 THR CB C 71.082 0.023 1
214 185 18 THR CG2 C 21.415 0.241 1
215 185 18 THR N N 125.106 0.172 1
216 186 19 HIS H H 9.248 0.006 1
217 186 19 HIS HA H 4.313 0.009 1
218 186 19 HIS HB3 H 2.560 0.000 2
219 186 19 HIS C C 175.745 0.000 1
220 186 19 HIS CA C 54.197 0.149 1
221 186 19 HIS CB C 31.902 0.000 1
222 186 19 HIS N N 130.325 0.035 1
223 187 20 PRO HA H 4.487 0.011 1
224 187 20 PRO HB2 H 2.090 0.004 2
225 187 20 PRO HB3 H 2.072 0.000 2
226 187 20 PRO C C 177.240 0.000 1
227 187 20 PRO CA C 64.271 0.103 1
228 187 20 PRO CB C 31.891 0.000 1
229 188 21 THR H H 8.812 0.002 1
230 188 21 THR HA H 4.510 0.005 1
231 188 21 THR HB H 4.089 0.007 1
232 188 21 THR HG2 H 1.221 0.015 1
233 188 21 THR CA C 63.550 0.038 1
234 188 21 THR CB C 68.812 0.008 1
235 188 21 THR CG2 C 22.700 0.006 1
236 188 21 THR N N 114.479 0.031 1
237 189 22 LEU H H 8.000 0.002 1
238 189 22 LEU HA H 4.176 0.006 1
239 189 22 LEU HB2 H 1.239 0.102 2
240 189 22 LEU HB3 H 1.444 0.071 2
241 189 22 LEU HG H 0.955 0.111 1
242 189 22 LEU HD1 H 0.703 0.012 2
243 189 22 LEU HD2 H 0.459 0.014 2
244 189 22 LEU CA C 55.220 0.019 1
245 189 22 LEU CB C 42.949 0.044 1
246 189 22 LEU CG C 27.131 0.105 1
247 189 22 LEU CD1 C 22.548 0.729 2
248 189 22 LEU CD2 C 25.143 0.018 2
249 189 22 LEU N N 121.471 0.023 1
250 190 23 ASN H H 8.439 0.002 1
251 190 23 ASN HA H 4.322 0.004 1
252 190 23 ASN HB2 H 2.704 0.002 2
253 190 23 ASN HB3 H 3.065 0.001 2
254 190 23 ASN HD21 H 7.588 0.000 2
255 190 23 ASN HD22 H 6.761 0.000 2
256 190 23 ASN CA C 54.349 0.053 1
257 190 23 ASN CB C 36.868 0.021 1
258 190 23 ASN N N 114.729 0.026 1
259 191 24 VAL H H 6.876 0.002 1
260 191 24 VAL HA H 4.657 0.005 1
261 191 24 VAL HB H 2.071 0.004 1
262 191 24 VAL HG1 H 1.054 0.009 2
263 191 24 VAL HG2 H 1.069 0.006 2
264 191 24 VAL CA C 59.835 0.035 1
265 191 24 VAL CB C 35.804 0.033 1
266 191 24 VAL CG1 C 20.102 0.246 2
267 191 24 VAL CG2 C 21.060 0.224 2
268 191 24 VAL N N 112.177 0.028 1
269 192 25 THR H H 8.846 0.008 1
270 192 25 THR HA H 5.592 0.003 1
271 192 25 THR HB H 3.807 0.005 1
272 192 25 THR HG2 H 1.004 0.008 1
273 192 25 THR CA C 61.990 0.000 1
274 192 25 THR CB C 70.701 0.027 1
275 192 25 THR CG2 C 21.258 0.000 1
276 192 25 THR N N 121.905 0.026 1
277 193 26 VAL H H 9.208 0.008 1
278 193 26 VAL HA H 4.589 0.008 1
279 193 26 VAL HB H 2.002 0.004 1
280 193 26 VAL HG1 H 1.230 0.018 2
281 193 26 VAL HG2 H 0.903 0.012 2
282 193 26 VAL C C 174.017 0.000 1
283 193 26 VAL CA C 59.411 0.023 1
284 193 26 VAL CB C 35.872 0.073 1
285 193 26 VAL CG1 C 22.776 0.175 2
286 193 26 VAL CG2 C 20.092 0.025 2
287 193 26 VAL N N 123.840 0.032 1
288 194 27 GLN H H 8.734 0.002 1
289 194 27 GLN HA H 5.346 0.004 1
290 194 27 GLN HB2 H 1.837 0.013 2
291 194 27 GLN HB3 H 2.030 0.006 2
292 194 27 GLN HG2 H 2.171 0.044 2
293 194 27 GLN HG3 H 2.324 0.006 2
294 194 27 GLN HE21 H 7.006 0.000 2
295 194 27 GLN HE22 H 7.778 0.001 2
296 194 27 GLN C C 175.635 0.000 1
297 194 27 GLN CA C 55.482 0.047 1
298 194 27 GLN CB C 29.928 0.065 1
299 194 27 GLN CG C 34.903 0.027 1
300 194 27 GLN N N 124.177 0.038 1
301 195 28 LEU H H 9.093 0.003 1
302 195 28 LEU HA H 5.256 0.010 1
303 195 28 LEU HB2 H 1.564 0.014 2
304 195 28 LEU HB3 H 1.382 0.010 2
305 195 28 LEU HD1 H 0.908 0.010 2
306 195 28 LEU HD2 H 0.775 0.007 2
307 195 28 LEU C C 174.002 0.000 1
308 195 28 LEU CA C 51.352 0.116 1
309 195 28 LEU CB C 45.187 0.009 1
310 195 28 LEU CD1 C 25.100 0.135 2
311 195 28 LEU CD2 C 26.174 0.025 2
312 195 28 LEU N N 125.422 0.026 1
313 196 29 PRO HA H 4.778 0.008 1
314 196 29 PRO HB2 H 2.510 0.195 2
315 196 29 PRO HB3 H 1.909 0.253 2
316 196 29 PRO HG2 H 2.000 0.135 2
317 196 29 PRO HG3 H 2.254 0.002 2
318 196 29 PRO HD2 H 3.913 0.000 2
319 196 29 PRO HD3 H 4.158 0.005 2
320 196 29 PRO C C 176.333 0.000 1
321 196 29 PRO CA C 62.654 0.026 1
322 196 29 PRO CB C 33.095 0.069 1
323 196 29 PRO CG C 28.058 0.039 1
324 197 30 ILE H H 8.048 0.004 1
325 197 30 ILE HA H 4.103 0.008 1
326 197 30 ILE HB H 1.561 0.003 1
327 197 30 ILE HG12 H 1.434 0.010 2
328 197 30 ILE HG13 H 1.434 0.010 2
329 197 30 ILE HG2 H 0.828 0.008 1
330 197 30 ILE HD1 H 0.639 0.005 1
331 197 30 ILE C C 176.160 0.000 1
332 197 30 ILE CA C 62.084 0.098 1
333 197 30 ILE CB C 39.113 0.019 1
334 197 30 ILE CD1 C 13.324 0.016 1
335 197 30 ILE N N 122.038 0.033 1
336 198 31 LEU H H 9.379 0.003 1
337 198 31 LEU HA H 4.469 0.008 1
338 198 31 LEU HB2 H 1.403 0.006 2
339 198 31 LEU HB3 H 1.337 0.000 2
340 198 31 LEU HD1 H 0.715 0.002 2
341 198 31 LEU HD2 H 0.837 0.011 2
342 198 31 LEU C C 177.255 0.000 1
343 198 31 LEU CA C 56.144 0.127 1
344 198 31 LEU CB C 43.788 0.018 1
345 198 31 LEU CD1 C 25.615 0.012 2
346 198 31 LEU N N 127.609 0.030 1
347 199 32 SER H H 7.790 0.004 1
348 199 32 SER HA H 4.608 0.007 1
349 199 32 SER HB2 H 3.892 0.009 2
350 199 32 SER HB3 H 4.111 0.010 2
351 199 32 SER C C 172.068 0.000 1
352 199 32 SER CA C 58.459 0.064 1
353 199 32 SER CB C 64.522 0.074 1
354 199 32 SER N N 110.208 0.025 1
355 200 33 VAL H H 8.801 0.008 1
356 200 33 VAL HA H 4.461 0.010 1
357 200 33 VAL HB H 1.975 0.014 1
358 200 33 VAL HG1 H 0.901 0.004 2
359 200 33 VAL HG2 H 0.902 0.005 2
360 200 33 VAL C C 175.181 0.000 1
361 200 33 VAL CA C 61.961 0.133 1
362 200 33 VAL CB C 34.174 0.141 1
363 200 33 VAL CG1 C 21.690 0.102 2
364 200 33 VAL CG2 C 21.706 0.083 2
365 200 33 VAL N N 119.417 0.037 1
366 201 34 LYS H H 8.792 0.005 1
367 201 34 LYS HA H 4.285 0.020 1
368 201 34 LYS HB2 H 1.654 0.021 2
369 201 34 LYS HG2 H 1.314 0.018 2
370 201 34 LYS HG3 H 1.405 0.000 2
371 201 34 LYS HE2 H 2.979 0.029 2
372 201 34 LYS C C 176.327 0.000 1
373 201 34 LYS CA C 56.231 0.000 1
374 201 34 LYS CB C 33.008 0.008 1
375 201 34 LYS CG C 25.017 0.025 1
376 201 34 LYS CE C 42.028 0.024 1
377 201 34 LYS N N 128.363 0.028 1
378 202 35 LYS H H 8.459 0.006 1
379 202 35 LYS HA H 4.277 0.016 1
380 202 35 LYS HB2 H 1.730 0.015 2
381 202 35 LYS HB3 H 1.722 0.011 2
382 202 35 LYS HG2 H 1.309 0.015 2
383 202 35 LYS HG3 H 1.326 0.000 2
384 202 35 LYS HE2 H 2.932 0.012 2
385 202 35 LYS HE3 H 2.922 0.000 2
386 202 35 LYS C C 175.309 0.000 1
387 202 35 LYS CA C 56.737 0.000 1
388 202 35 LYS CB C 34.051 0.022 1
389 202 35 LYS CG C 25.030 0.007 1
390 202 35 LYS CE C 42.016 0.005 1
391 202 35 LYS N N 124.034 0.075 1
392 203 36 ASN H H 8.807 0.005 1
393 203 36 ASN HA H 5.122 0.010 1
394 203 36 ASN HB2 H 2.717 0.012 2
395 203 36 ASN HB3 H 2.995 0.102 2
396 203 36 ASN HD21 H 7.662 0.010 2
397 203 36 ASN HD22 H 7.184 0.000 2
398 203 36 ASN C C 174.325 0.000 1
399 203 36 ASN CA C 50.724 0.151 1
400 203 36 ASN CB C 39.436 0.099 1
401 203 36 ASN N N 124.113 0.048 1
402 204 37 PRO HA H 4.338 0.005 1
403 204 37 PRO HB2 H 2.264 0.086 2
404 204 37 PRO HB3 H 2.064 0.102 2
405 204 37 PRO HG2 H 2.038 0.013 2
406 204 37 PRO HG3 H 2.046 0.004 2
407 204 37 PRO HD2 H 3.832 0.012 2
408 204 37 PRO HD3 H 3.834 0.014 2
409 204 37 PRO C C 177.070 0.000 1
410 204 37 PRO CA C 64.056 0.019 1
411 204 37 PRO CB C 32.210 0.081 1
412 204 37 PRO CG C 27.327 0.112 1
413 204 37 PRO CD C 51.110 0.049 1
414 205 38 SER H H 8.208 0.008 1
415 205 38 SER HA H 4.409 0.011 1
416 205 38 SER HB2 H 3.888 0.005 2
417 205 38 SER HB3 H 3.888 0.003 2
418 205 38 SER C C 173.886 0.000 1
419 205 38 SER CA C 59.106 0.011 1
420 205 38 SER CB C 63.490 0.027 1
421 205 38 SER N N 113.405 0.033 1
422 206 39 ASN H H 7.858 0.005 1
423 206 39 ASN HA H 4.991 0.008 1
424 206 39 ASN HB2 H 2.659 0.003 2
425 206 39 ASN HB3 H 2.805 0.004 2
426 206 39 ASN HD21 H 6.962 0.000 2
427 206 39 ASN C C 173.507 0.000 1
428 206 39 ASN CB C 39.013 0.030 1
429 206 39 ASN N N 119.676 0.028 1
430 207 40 PRO HA H 4.468 0.007 1
431 207 40 PRO HB2 H 2.259 0.114 2
432 207 40 PRO HB3 H 2.020 0.162 2
433 207 40 PRO HG2 H 1.975 0.012 2
434 207 40 PRO HD2 H 3.744 0.009 2
435 207 40 PRO HD3 H 3.745 0.007 2
436 207 40 PRO C C 177.593 0.000 1
437 207 40 PRO CA C 64.074 0.045 1
438 207 40 PRO CB C 32.192 0.030 1
439 207 40 PRO CG C 27.198 0.031 1
440 207 40 PRO CD C 50.782 0.024 1
441 208 41 LEU H H 8.262 0.010 1
442 208 41 LEU HA H 4.249 0.013 1
443 208 41 LEU HB2 H 1.579 0.013 2
444 208 41 LEU HB3 H 1.574 0.010 2
445 208 41 LEU HG H 1.418 0.014 1
446 208 41 LEU HD1 H 0.850 0.007 2
447 208 41 LEU HD2 H 0.868 0.014 2
448 208 41 LEU C C 177.857 0.000 1
449 208 41 LEU CA C 56.117 0.180 1
450 208 41 LEU CB C 41.737 0.033 1
451 208 41 LEU CD1 C 24.482 0.063 2
452 208 41 LEU CD2 C 22.708 0.075 2
453 208 41 LEU N N 119.718 0.026 1
454 209 42 TYR H H 7.898 0.004 1
455 209 42 TYR HA H 4.579 0.001 1
456 209 42 TYR HB2 H 3.117 0.008 2
457 209 42 TYR HB3 H 3.136 0.012 2
458 209 42 TYR HD1 H 7.069 0.010 3
459 209 42 TYR C C 176.746 0.000 1
460 209 42 TYR CB C 37.843 0.034 1
461 209 42 TYR N N 118.906 0.031 1
462 210 43 THR H H 7.913 0.006 1
463 210 43 THR HA H 4.513 0.002 1
464 210 43 THR HB H 4.243 0.004 1
465 210 43 THR HG2 H 1.199 0.014 1
466 210 43 THR C C 175.002 0.000 1
467 210 43 THR CA C 63.531 0.001 1
468 210 43 THR CB C 69.387 0.025 1
469 210 43 THR N N 115.113 0.030 1
470 211 44 GLN H H 8.260 0.007 1
471 211 44 GLN HA H 4.259 0.007 1
472 211 44 GLN HB2 H 2.137 0.008 2
473 211 44 GLN HB3 H 2.043 0.008 2
474 211 44 GLN HG2 H 2.386 0.014 2
475 211 44 GLN HG3 H 2.391 0.008 2
476 211 44 GLN HE21 H 6.982 0.000 2
477 211 44 GLN HE22 H 7.616 0.002 2
478 211 44 GLN C C 176.295 0.000 1
479 211 44 GLN CA C 56.469 0.000 1
480 211 44 GLN CB C 29.197 0.061 1
481 211 44 GLN CG C 33.876 0.013 1
482 211 44 GLN N N 121.898 0.057 1
483 212 45 LEU H H 8.188 0.008 1
484 212 45 LEU HA H 4.304 0.019 1
485 212 45 LEU HB2 H 1.663 0.017 2
486 212 45 LEU HB3 H 1.654 0.016 2
487 212 45 LEU HG H 1.673 0.013 1
488 212 45 LEU HD1 H 0.895 0.000 2
489 212 45 LEU HD2 H 0.901 0.018 2
490 212 45 LEU C C 177.850 0.000 1
491 212 45 LEU CA C 55.182 0.211 1
492 212 45 LEU CB C 42.721 0.007 1
493 212 45 LEU CG C 27.053 0.113 1
494 212 45 LEU CD2 C 25.160 0.085 2
495 212 45 LEU N N 120.746 0.129 1
496 213 46 GLY H H 8.403 0.004 1
497 213 46 GLY HA2 H 3.772 0.010 2
498 213 46 GLY HA3 H 3.946 0.003 2
499 213 46 GLY C C 173.603 0.000 1
500 213 46 GLY CA C 45.704 0.048 1
501 213 46 GLY N N 109.048 0.026 1
502 214 47 VAL H H 7.664 0.010 1
503 214 47 VAL HA H 4.072 0.013 1
504 214 47 VAL HB H 1.998 0.010 1
505 214 47 VAL HG1 H 0.862 0.010 2
506 214 47 VAL HG2 H 0.859 0.009 2
507 214 47 VAL C C 175.476 0.000 1
508 214 47 VAL CA C 62.328 0.075 1
509 214 47 VAL CB C 32.775 0.159 1
510 214 47 VAL CG1 C 21.265 0.025 2
511 214 47 VAL CG2 C 21.258 0.000 2
512 214 47 VAL N N 118.773 0.027 1
513 215 48 LEU H H 8.596 0.008 1
514 215 48 LEU HA H 4.501 0.006 1
515 215 48 LEU HB2 H 1.189 0.004 2
516 215 48 LEU HB3 H 1.917 0.020 2
517 215 48 LEU HG H 1.022 0.002 1
518 215 48 LEU HD1 H 0.871 0.009 2
519 215 48 LEU HD2 H 0.856 0.000 2
520 215 48 LEU C C 175.367 0.000 1
521 215 48 LEU CA C 54.124 0.000 1
522 215 48 LEU CB C 41.988 0.046 1
523 215 48 LEU CG C 27.231 0.011 1
524 215 48 LEU N N 125.164 0.063 1
525 216 49 THR H H 7.301 0.005 1
526 216 49 THR HA H 4.747 0.003 1
527 216 49 THR HB H 4.305 0.003 1
528 216 49 THR HG2 H 1.127 0.013 1
529 216 49 THR C C 174.661 0.000 1
530 216 49 THR CA C 59.046 0.008 1
531 216 49 THR CB C 72.100 0.059 1
532 216 49 THR CG2 C 21.752 0.018 1
533 216 49 THR N N 111.230 0.027 1
534 217 50 LYS H H 9.199 0.003 1
535 217 50 LYS HA H 3.919 0.003 1
536 217 50 LYS HB2 H 1.983 0.018 2
537 217 50 LYS HB3 H 1.611 0.008 2
538 217 50 LYS HG2 H 1.313 0.022 2
539 217 50 LYS HG3 H 1.297 0.005 2
540 217 50 LYS HD2 H 1.604 0.006 2
541 217 50 LYS HD3 H 1.604 0.006 2
542 217 50 LYS HE2 H 2.929 0.014 2
543 217 50 LYS HE3 H 2.921 0.016 2
544 217 50 LYS C C 177.698 0.000 1
545 217 50 LYS CA C 59.931 0.014 1
546 217 50 LYS CB C 32.341 0.173 1
547 217 50 LYS CG C 25.136 0.116 1
548 217 50 LYS CD C 29.449 0.197 1
549 217 50 LYS CE C 42.034 0.062 1
550 217 50 LYS N N 125.488 0.057 1
551 218 51 GLY H H 8.911 0.006 1
552 218 51 GLY HA2 H 3.581 0.002 2
553 218 51 GLY HA3 H 4.578 0.005 2
554 218 51 GLY C C 174.609 0.000 1
555 218 51 GLY CA C 44.893 0.018 1
556 218 51 GLY N N 115.540 0.029 1
557 219 52 THR H H 8.284 0.008 1
558 219 52 THR HA H 4.214 0.015 1
559 219 52 THR HB H 4.365 0.011 1
560 219 52 THR HG2 H 1.407 0.008 1
561 219 52 THR C C 172.870 0.000 1
562 219 52 THR CA C 65.228 0.023 1
563 219 52 THR CB C 69.773 0.021 1
564 219 52 THR CG2 C 22.630 0.025 1
565 219 52 THR N N 119.730 0.030 1
566 220 53 ILE H H 9.105 0.004 1
567 220 53 ILE HA H 5.078 0.008 1
568 220 53 ILE HB H 1.927 0.013 1
569 220 53 ILE HG12 H 1.674 0.011 2
570 220 53 ILE HG13 H 1.289 0.005 2
571 220 53 ILE HG2 H 0.921 0.012 1
572 220 53 ILE HD1 H 0.823 0.004 1
573 220 53 ILE C C 175.269 0.000 1
574 220 53 ILE CA C 59.781 0.000 1
575 220 53 ILE CB C 37.135 0.017 1
576 220 53 ILE CG1 C 27.597 0.145 1
577 220 53 ILE CG2 C 17.914 0.024 1
578 220 53 ILE CD1 C 11.524 0.010 1
579 220 53 ILE N N 127.765 0.036 1
580 221 54 ILE H H 9.396 0.004 1
581 221 54 ILE HA H 5.130 0.009 1
582 221 54 ILE HB H 1.947 0.011 1
583 221 54 ILE HG12 H 1.522 0.014 2
584 221 54 ILE HG13 H 1.528 0.014 2
585 221 54 ILE HG2 H 0.941 0.012 1
586 221 54 ILE HD1 H 0.446 0.009 1
587 221 54 ILE C C 173.366 0.000 1
588 221 54 ILE CA C 58.756 0.023 1
589 221 54 ILE CB C 41.040 0.013 1
590 221 54 ILE CG2 C 19.388 0.060 1
591 221 54 ILE CD1 C 13.446 0.012 1
592 221 54 ILE N N 119.664 0.026 1
593 222 55 GLU H H 8.925 0.006 1
594 222 55 GLU HA H 5.224 0.020 1
595 222 55 GLU HB2 H 2.092 0.187 2
596 222 55 GLU HB3 H 1.720 0.135 2
597 222 55 GLU HG2 H 2.167 0.005 2
598 222 55 GLU HG3 H 2.027 0.050 2
599 222 55 GLU C C 176.422 0.000 1
600 222 55 GLU CA C 53.934 0.000 1
601 222 55 GLU CB C 31.947 0.058 1
602 222 55 GLU CG C 36.163 0.099 1
603 222 55 GLU N N 124.036 0.027 1
604 223 56 VAL H H 9.263 0.003 1
605 223 56 VAL HA H 5.241 0.004 1
606 223 56 VAL HB H 1.944 0.007 1
607 223 56 VAL HG1 H 0.648 0.005 2
608 223 56 VAL HG2 H 0.633 0.010 2
609 223 56 VAL C C 174.299 0.000 1
610 223 56 VAL CA C 58.105 0.042 1
611 223 56 VAL CB C 34.749 0.070 1
612 223 56 VAL CG1 C 22.025 0.021 2
613 223 56 VAL CG2 C 17.546 0.017 2
614 223 56 VAL N N 120.364 0.033 1
615 224 57 ASN H H 8.145 0.003 1
616 224 57 ASN HA H 4.823 0.005 1
617 224 57 ASN HB2 H 2.396 0.001 2
618 224 57 ASN HB3 H 3.016 0.008 2
619 224 57 ASN C C 175.775 0.000 1
620 224 57 ASN CA C 51.676 0.041 1
621 224 57 ASN CB C 38.253 0.067 1
622 224 57 ASN N N 117.075 0.030 1
623 225 58 VAL H H 8.061 0.003 1
624 225 58 VAL HA H 4.208 0.010 1
625 225 58 VAL HB H 2.335 0.002 1
626 225 58 VAL HG1 H 0.815 0.009 2
627 225 58 VAL HG2 H 0.816 0.010 2
628 225 58 VAL C C 176.503 0.000 1
629 225 58 VAL CA C 61.270 0.016 1
630 225 58 VAL CB C 31.535 0.016 1
631 225 58 VAL CG1 C 18.365 0.018 2
632 225 58 VAL N N 118.114 0.045 1
633 226 59 SER H H 8.288 0.003 1
634 226 59 SER HA H 4.106 0.000 1
635 226 59 SER HB2 H 3.741 0.001 2
636 226 59 SER HB3 H 3.730 0.006 2
637 226 59 SER CB C 63.326 0.205 1
638 226 59 SER N N 117.767 0.056 1
639 227 60 ASP H H 8.328 0.004 1
640 227 60 ASP HA H 4.592 0.004 1
641 227 60 ASP HB2 H 2.532 0.008 2
642 227 60 ASP HB3 H 2.694 0.008 2
643 227 60 ASP C C 176.461 0.000 1
644 227 60 ASP CA C 54.798 0.040 1
645 227 60 ASP CB C 40.675 0.040 1
646 228 61 LEU H H 7.899 0.002 1
647 228 61 LEU HA H 4.067 0.010 1
648 228 61 LEU HB2 H 0.837 0.012 2
649 228 61 LEU HB3 H 1.367 0.016 2
650 228 61 LEU HG H 1.252 0.014 1
651 228 61 LEU HD1 H 0.316 0.011 2
652 228 61 LEU HD2 H 0.074 0.007 2
653 228 61 LEU C C 178.213 0.000 1
654 228 61 LEU CA C 55.586 0.017 1
655 228 61 LEU CB C 41.627 0.045 1
656 228 61 LEU CG C 26.369 0.069 1
657 228 61 LEU CD1 C 22.576 0.014 2
658 228 61 LEU CD2 C 24.566 0.037 2
659 228 61 LEU N N 120.955 0.031 1
660 229 62 GLY H H 8.260 0.008 1
661 229 62 GLY HA2 H 4.116 0.107 2
662 229 62 GLY HA3 H 3.854 0.085 2
663 229 62 GLY C C 173.938 0.000 1
664 229 62 GLY CA C 45.781 0.147 1
665 229 62 GLY N N 107.780 0.031 1
666 230 63 ILE H H 8.002 0.003 1
667 230 63 ILE HA H 4.195 0.010 1
668 230 63 ILE HB H 1.835 0.008 1
669 230 63 ILE HG12 H 1.079 0.008 2
670 230 63 ILE HG13 H 1.423 0.012 2
671 230 63 ILE HD1 H 0.792 0.016 1
672 230 63 ILE C C 176.126 0.000 1
673 230 63 ILE CA C 61.273 0.026 1
674 230 63 ILE CB C 39.055 0.057 1
675 230 63 ILE CG1 C 27.345 0.058 1
676 230 63 ILE CD1 C 13.239 0.022 1
677 230 63 ILE N N 119.892 0.025 1
678 231 64 VAL H H 8.356 0.006 1
679 231 64 VAL HA H 4.128 0.009 1
680 231 64 VAL HB H 2.057 0.013 1
681 231 64 VAL HG1 H 0.901 0.016 2
682 231 64 VAL HG2 H 0.911 0.011 2
683 231 64 VAL C C 176.584 0.000 1
684 231 64 VAL CA C 63.079 0.052 1
685 231 64 VAL CB C 32.462 0.163 1
686 231 64 VAL CG1 C 21.393 0.152 2
687 231 64 VAL CG2 C 21.258 0.000 2
688 231 64 VAL N N 124.417 0.018 1
689 232 65 THR H H 8.227 0.005 1
690 232 65 THR HA H 4.448 0.008 1
691 232 65 THR HB H 4.350 0.007 1
692 232 65 THR HG2 H 1.191 0.010 1
693 232 65 THR C C 175.049 0.000 1
694 232 65 THR CA C 61.668 0.140 1
695 232 65 THR CB C 70.458 0.039 1
696 232 65 THR CG2 C 21.750 0.051 1
697 232 65 THR N N 117.583 0.019 1
698 233 66 ALA H H 8.526 0.007 1
699 233 66 ALA HA H 4.307 0.011 1
700 233 66 ALA HB H 1.445 0.004 1
701 233 66 ALA C C 178.159 0.000 1
702 233 66 ALA CA C 53.632 0.153 1
703 233 66 ALA CB C 18.917 0.009 1
704 233 66 ALA N N 124.447 0.033 1
705 234 67 SER H H 8.218 0.005 1
706 234 67 SER HA H 4.428 0.015 1
707 234 67 SER HB2 H 3.903 0.010 2
708 234 67 SER HB3 H 3.901 0.007 2
709 234 67 SER C C 175.019 0.000 1
710 234 67 SER CA C 58.865 0.182 1
711 234 67 SER CB C 63.512 0.040 1
712 234 67 SER N N 112.507 0.034 1
713 235 68 GLY H H 8.220 0.006 1
714 235 68 GLY HA2 H 4.142 0.006 2
715 235 68 GLY HA3 H 4.141 0.006 2
716 235 68 GLY C C 173.963 0.000 1
717 235 68 GLY CA C 45.331 0.035 1
718 235 68 GLY N N 110.835 0.026 1
719 236 69 LYS H H 8.236 0.010 1
720 236 69 LYS HA H 4.459 0.007 1
721 236 69 LYS HB2 H 1.762 0.002 2
722 236 69 LYS HB3 H 1.875 0.007 2
723 236 69 LYS HG2 H 1.393 0.014 2
724 236 69 LYS HD2 H 1.661 0.012 2
725 236 69 LYS HD3 H 1.666 0.008 2
726 236 69 LYS HE2 H 2.942 0.018 2
727 236 69 LYS HE3 H 2.960 0.024 2
728 236 69 LYS C C 176.376 0.000 1
729 236 69 LYS CA C 56.306 0.052 1
730 236 69 LYS CB C 33.055 0.100 1
731 236 69 LYS CG C 25.047 0.036 1
732 236 69 LYS CD C 29.110 0.088 1
733 236 69 LYS CE C 42.054 0.069 1
734 236 69 LYS N N 120.718 0.136 1
735 237 70 ILE H H 8.219 0.005 1
736 237 70 ILE HA H 4.260 0.003 1
737 237 70 ILE HB H 1.849 0.010 1
738 237 70 ILE HG12 H 1.460 0.013 2
739 237 70 ILE HG13 H 1.202 0.004 2
740 237 70 ILE HG2 H 0.845 0.016 1
741 237 70 ILE HD1 H 0.796 0.018 1
742 237 70 ILE C C 175.363 0.000 1
743 237 70 ILE CA C 60.337 0.011 1
744 237 70 ILE CB C 38.979 0.042 1
745 237 70 ILE CG1 C 27.209 0.022 1
746 237 70 ILE CG2 C 17.466 0.016 1
747 237 70 ILE CD1 C 12.712 0.117 1
748 237 70 ILE N N 121.996 0.021 1
749 238 71 ALA H H 8.666 0.003 1
750 238 71 ALA HA H 4.551 0.004 1
751 238 71 ALA HB H 1.417 0.005 1
752 238 71 ALA C C 178.539 0.000 1
753 238 71 ALA CA C 52.152 0.016 1
754 238 71 ALA CB C 19.485 0.017 1
755 238 71 ALA N N 128.866 0.022 1
756 239 72 TRP H H 8.919 0.004 1
757 239 72 TRP HA H 4.553 0.004 1
758 239 72 TRP HB2 H 2.978 0.009 2
759 239 72 TRP HB3 H 3.526 0.002 2
760 239 72 TRP C C 176.067 0.000 1
761 239 72 TRP CA C 58.255 0.032 1
762 239 72 TRP CB C 29.110 0.025 1
763 239 72 TRP N N 125.192 0.010 1
764 240 73 GLY H H 7.861 0.004 1
765 240 73 GLY HA2 H 3.993 0.011 2
766 240 73 GLY HA3 H 4.195 0.009 2
767 240 73 GLY CA C 44.765 0.141 1
768 240 73 GLY N N 110.297 0.025 1
769 241 74 ARG HA H 5.449 0.000 1
770 242 75 TYR H H 7.157 0.000 1
771 242 75 TYR HA H 5.856 0.004 1
772 242 75 TYR HB2 H 2.757 0.005 2
773 242 75 TYR HB3 H 2.874 0.017 2
774 242 75 TYR C C 175.079 0.000 1
775 242 75 TYR CA C 56.324 0.000 1
776 242 75 TYR CB C 41.276 0.032 1
777 242 75 TYR N N 115.177 0.030 1
778 243 76 ALA H H 9.561 0.002 1
779 243 76 ALA HA H 5.180 0.005 1
780 243 76 ALA HB H 1.026 0.009 1
781 243 76 ALA C C 173.394 0.000 1
782 243 76 ALA CA C 50.169 0.037 1
783 243 76 ALA CB C 24.353 0.013 1
784 243 76 ALA N N 123.753 0.026 1
785 244 77 GLN H H 9.210 0.007 1
786 244 77 GLN HA H 5.176 0.015 1
787 244 77 GLN HB2 H 2.060 0.007 2
788 244 77 GLN HB3 H 1.765 0.009 2
789 244 77 GLN C C 175.512 0.000 1
790 244 77 GLN CA C 53.952 0.035 1
791 244 77 GLN CB C 32.242 0.018 1
792 244 77 GLN N N 121.500 0.044 1
793 245 78 ILE H H 9.191 0.007 1
794 245 78 ILE HA H 4.438 0.006 1
795 245 78 ILE HB H 2.185 0.006 1
796 245 78 ILE HG13 H 2.008 0.019 2
797 245 78 ILE HG2 H 1.245 0.006 1
798 245 78 ILE HD1 H 0.901 0.011 1
799 245 78 ILE C C 178.905 0.000 1
800 245 78 ILE CA C 64.004 0.030 1
801 245 78 ILE CB C 37.597 0.019 1
802 245 78 ILE CG1 C 28.011 0.090 1
803 245 78 ILE CG2 C 16.983 0.012 1
804 245 78 ILE CD1 C 15.482 0.025 1
805 245 78 ILE N N 127.583 0.025 1
806 246 79 THR H H 9.423 0.004 1
807 246 79 THR HA H 4.449 0.009 1
808 246 79 THR HB H 4.434 0.005 1
809 246 79 THR HG2 H 1.337 0.006 1
810 246 79 THR C C 173.716 0.000 1
811 246 79 THR CA C 61.873 0.120 1
812 246 79 THR CB C 70.087 0.011 1
813 246 79 THR CG2 C 22.377 0.031 1
814 246 79 THR N N 120.784 0.051 1
815 247 80 ASN H H 8.137 0.008 1
816 247 80 ASN HA H 5.081 0.005 1
817 247 80 ASN HB2 H 2.773 0.023 2
818 247 80 ASN HB3 H 3.399 0.004 2
819 247 80 ASN HD21 H 6.957 0.002 2
820 247 80 ASN C C 170.873 0.000 1
821 247 80 ASN CA C 51.058 0.001 1
822 247 80 ASN CB C 39.295 0.026 1
823 247 80 ASN N N 125.130 0.028 1
824 248 81 ASN H H 8.056 0.004 1
825 248 81 ASN HA H 5.454 0.004 1
826 248 81 ASN HB3 H 2.850 0.004 2
827 248 81 ASN HD22 H 7.607 0.000 2
828 248 81 ASN C C 173.800 0.000 1
829 248 81 ASN CA C 50.069 0.042 1
830 248 81 ASN CB C 39.193 0.030 1
831 248 81 ASN N N 113.422 0.049 1
832 249 82 PRO HA H 4.409 0.009 1
833 249 82 PRO HB2 H 1.912 0.000 2
834 249 82 PRO HB3 H 1.907 0.013 2
835 249 82 PRO C C 177.834 0.000 1
836 249 82 PRO CA C 65.750 0.015 1
837 249 82 PRO CB C 32.889 0.003 1
838 250 83 GLU H H 9.024 0.003 1
839 250 83 GLU HA H 4.202 0.003 1
840 250 83 GLU HB2 H 2.071 0.002 2
841 250 83 GLU HB3 H 2.067 0.010 2
842 250 83 GLU HG2 H 2.384 0.007 2
843 250 83 GLU HG3 H 2.384 0.007 2
844 250 83 GLU C C 177.711 0.000 1
845 250 83 GLU CA C 58.733 0.015 1
846 250 83 GLU CB C 29.012 0.041 1
847 250 83 GLU CG C 36.285 0.013 1
848 250 83 GLU N N 115.320 0.049 1
849 251 84 ASN H H 7.607 0.003 1
850 251 84 ASN HA H 4.824 0.003 1
851 251 84 ASN HB2 H 2.907 0.066 2
852 251 84 ASN HB3 H 2.705 0.058 2
853 251 84 ASN HD21 H 7.826 0.001 2
854 251 84 ASN HD22 H 7.070 0.000 2
855 251 84 ASN C C 176.589 0.000 1
856 251 84 ASN CA C 54.412 0.009 1
857 251 84 ASN CB C 40.176 0.078 1
858 251 84 ASN N N 115.277 0.028 1
859 252 85 ASP H H 8.071 0.002 1
860 252 85 ASP HA H 4.624 0.003 1
861 252 85 ASP HB2 H 2.896 0.124 2
862 252 85 ASP HB3 H 2.491 0.204 2
863 252 85 ASP C C 177.836 0.000 1
864 252 85 ASP CA C 55.792 0.019 1
865 252 85 ASP CB C 42.149 0.069 1
866 252 85 ASP N N 117.480 0.026 1
867 253 86 GLY H H 8.532 0.004 1
868 253 86 GLY HA2 H 4.083 0.005 2
869 253 86 GLY HA3 H 4.079 0.005 2
870 253 86 GLY C C 172.696 0.000 1
871 253 86 GLY CA C 46.109 0.030 1
872 253 86 GLY N N 108.124 0.036 1
873 254 87 CYS H H 7.396 0.009 1
874 254 87 CYS HA H 4.377 0.008 1
875 254 87 CYS HB2 H 2.678 0.005 2
876 254 87 CYS HB3 H 3.075 0.006 2
877 254 87 CYS C C 171.564 0.000 1
878 254 87 CYS CA C 54.893 0.190 1
879 254 87 CYS CB C 29.976 0.024 1
880 254 87 CYS N N 110.686 0.030 1
881 255 88 VAL H H 9.075 0.006 1
882 255 88 VAL HA H 4.073 0.012 1
883 255 88 VAL HB H 2.004 0.012 1
884 255 88 VAL HG1 H 0.712 0.008 2
885 255 88 VAL HG2 H 0.548 0.054 2
886 255 88 VAL C C 173.260 0.000 1
887 255 88 VAL CA C 62.205 0.112 1
888 255 88 VAL CB C 33.342 0.030 1
889 255 88 VAL CG1 C 23.184 0.044 2
890 255 88 VAL CG2 C 21.857 0.067 2
891 255 88 VAL N N 120.342 0.038 1
892 256 89 ASN H H 8.588 0.004 1
893 256 89 ASN HA H 5.524 0.002 1
894 256 89 ASN HB2 H 2.401 0.003 2
895 256 89 ASN HB3 H 2.594 0.005 2
896 256 89 ASN HD21 H 6.671 0.001 2
897 256 89 ASN HD22 H 6.958 0.002 2
898 256 89 ASN C C 174.084 0.000 1
899 256 89 ASN CA C 50.789 0.034 1
900 256 89 ASN CB C 39.608 0.015 1
901 256 89 ASN N N 125.659 0.101 1
902 257 90 ALA H H 8.966 0.003 1
903 257 90 ALA HA H 5.336 0.004 1
904 257 90 ALA HB H 0.963 0.010 1
905 257 90 ALA C C 173.777 0.000 1
906 257 90 ALA CA C 50.698 0.011 1
907 257 90 ALA CB C 24.179 0.012 1
908 257 90 ALA N N 123.453 0.030 1
909 258 91 VAL H H 8.959 0.002 1
910 258 91 VAL HA H 5.036 0.012 1
911 258 91 VAL HB H 1.999 0.013 1
912 258 91 VAL HG1 H 1.000 0.013 2
913 258 91 VAL HG2 H 1.040 0.016 2
914 258 91 VAL CA C 58.376 0.000 1
915 258 91 VAL CB C 34.600 0.013 1
916 258 91 VAL CG1 C 19.574 0.522 1
917 258 91 VAL CG2 C 21.717 0.535 2
918 258 91 VAL N N 120.758 0.033 1
919 259 92 LEU H H 8.540 0.002 1
920 259 92 LEU HA H 3.949 0.003 1
921 259 92 LEU HB2 H 0.841 0.010 2
922 259 92 LEU HB3 H 0.840 0.012 2
923 259 92 LEU HG H 0.483 0.012 1
924 259 92 LEU C C 176.255 0.000 1
925 259 92 LEU CA C 55.787 0.029 1
926 259 92 LEU CB C 44.138 0.000 1
927 259 92 LEU CG C 27.074 0.016 1
928 259 92 LEU N N 130.103 0.038 1
929 260 93 LEU H H 8.361 0.003 1
930 260 93 LEU HA H 4.384 0.001 1
931 260 93 LEU HB2 H 1.772 0.021 2
932 260 93 LEU HB3 H 1.574 0.075 2
933 260 93 LEU HG H 1.290 0.142 1
934 260 93 LEU HD1 H 0.893 0.012 2
935 260 93 LEU HD2 H 0.861 0.018 2
936 260 93 LEU C C 176.602 0.000 1
937 260 93 LEU CA C 55.241 0.057 1
938 260 93 LEU CB C 40.474 0.000 1
939 260 93 LEU CG C 27.658 0.044 1
940 260 93 LEU CD1 C 24.131 0.871 2
941 260 93 LEU CD2 C 22.831 0.096 2
942 260 93 LEU N N 125.895 0.026 1
943 261 94 VAL H H 7.930 0.004 1
944 261 94 VAL HA H 4.169 0.008 1
945 261 94 VAL HB H 2.184 0.002 1
946 261 94 VAL HG1 H 0.703 0.008 2
947 261 94 VAL HG2 H 0.608 0.010 2
948 261 94 VAL C C 180.873 0.000 1
949 261 94 VAL CA C 62.417 0.064 1
950 261 94 VAL CB C 33.886 0.017 1
951 261 94 VAL CG1 C 19.311 0.013 2
952 261 94 VAL CG2 C 21.881 0.027 2
953 261 94 VAL N N 123.846 0.040 1
stop_
save_