data_6829
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical shift assignments for Chitin-binding Domain of Hyperthermophilic
Chitinase from Pyrococcus furiosus
;
_BMRB_accession_number 6829
_BMRB_flat_file_name bmr6829.str
_Entry_type original
_Submission_date 2005-09-20
_Accession_date 2005-09-20
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Uegaki Koichi . .
2 Ikegami Takahisa . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 552
"13C chemical shifts" 429
"15N chemical shifts" 110
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-02-09 update BMRB 'complete entry citation'
2006-10-17 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR assignment of the chitin-binding domain of a hyperthermophilic chitinase
from Pyrococcus furiosus
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17016669
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Mine Shouhei . .
2 Nakamura Tsutomu . .
3 Hagihara Yoshihisa . .
4 Ishikawa Kazuhiko . .
5 Ikegami Takahisa . .
6 Uegaki Koichi . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 70
_Page_last 70
_Year 2006
_Details .
loop_
_Keyword
NMR
Structure
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Chitin binding domain'
_Enzyme_commission_number 3.2.1.14
loop_
_Mol_system_component_name
_Mol_label
'Chitin binding domain' $Chitin_binding_domain_of_chitinase
stop_
_System_molecular_weight 10957
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'chitin binding'
stop_
_Database_query_date .
_Details monomer
save_
########################
# Monomeric polymers #
########################
save_Chitin_binding_domain_of_chitinase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Chitin binding domain'
_Molecular_mass 10957
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 103
_Mol_residue_sequence
;
GPTTPVPVSGSLEVKVNDWG
SGAEYDVTLNLDGQYDWTVK
VKLAPGATVGSFWSANKQEG
NGYVIFTPVSWNKGPTATFG
FIVNGPQGDKVEEITLEING
QVI
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 256 GLY 2 257 PRO 3 258 THR 4 259 THR 5 260 PRO
6 261 VAL 7 262 PRO 8 263 VAL 9 264 SER 10 265 GLY
11 266 SER 12 267 LEU 13 268 GLU 14 269 VAL 15 270 LYS
16 271 VAL 17 272 ASN 18 273 ASP 19 274 TRP 20 275 GLY
21 276 SER 22 277 GLY 23 278 ALA 24 279 GLU 25 280 TYR
26 281 ASP 27 282 VAL 28 283 THR 29 284 LEU 30 285 ASN
31 286 LEU 32 287 ASP 33 288 GLY 34 289 GLN 35 290 TYR
36 291 ASP 37 292 TRP 38 293 THR 39 294 VAL 40 295 LYS
41 296 VAL 42 297 LYS 43 298 LEU 44 299 ALA 45 300 PRO
46 301 GLY 47 302 ALA 48 303 THR 49 304 VAL 50 305 GLY
51 306 SER 52 307 PHE 53 308 TRP 54 309 SER 55 310 ALA
56 311 ASN 57 312 LYS 58 313 GLN 59 314 GLU 60 315 GLY
61 316 ASN 62 317 GLY 63 318 TYR 64 319 VAL 65 320 ILE
66 321 PHE 67 322 THR 68 323 PRO 69 324 VAL 70 325 SER
71 326 TRP 72 327 ASN 73 328 LYS 74 329 GLY 75 330 PRO
76 331 THR 77 332 ALA 78 333 THR 79 334 PHE 80 335 GLY
81 336 PHE 82 337 ILE 83 338 VAL 84 339 ASN 85 340 GLY
86 341 PRO 87 342 GLN 88 343 GLY 89 344 ASP 90 345 LYS
91 346 VAL 92 347 GLU 93 348 GLU 94 349 ILE 95 350 THR
96 351 LEU 97 352 GLU 98 353 ILE 99 354 ASN 100 355 GLY
101 356 GLN 102 357 VAL 103 358 ILE
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 2CWR "Crystal Structure Of Chitin Biding Domain Of Chitinase From Pyrococcus Furiosus" 100.00 103 100.00 100.00 2.63e-65
PDB 2CZN "Solution Structure Of The Chitin-Binding Domain Of Hyperthermophilic Chitinase From Pyrococcus Furiosus" 100.00 103 100.00 100.00 2.63e-65
GB AAL81357 "putative chitinase [Pyrococcus furiosus DSM 3638]" 98.06 717 100.00 100.00 4.73e-59
GB AFN04020 "chitinase [Pyrococcus furiosus COM1]" 98.06 717 100.00 100.00 4.73e-59
REF NP_578962 "chitinase [Pyrococcus furiosus DSM 3638]" 98.06 717 100.00 100.00 4.73e-59
REF WP_011012376 "chitinase [Pyrococcus furiosus]" 98.06 717 100.00 100.00 4.73e-59
REF YP_006492312 "chitinase [Pyrococcus furiosus COM1]" 98.06 717 100.00 100.00 4.73e-59
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Chitin_binding_domain_of_chitinase 'Pyrococcus furiosus' 2261 Archaea 'Not applicable' Pyrococcus furiosus
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
$Chitin_binding_domain_of_chitinase 'recombinant technology' 'E. coli' . . . .
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
$Chitin_binding_domain_of_chitinase 1.8 mM '[U-95% 13C; U-95% 15N]'
'KH2PO4 / K2HPO4' 20 mM .
NaCl 25 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Chitin_binding_domain_of_chitinase 1.8 mM '[U-10% 13C]'
'KH2PO4 / K2HPO4' 20 mM .
NaCl 25 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_400MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 400
_Details .
save_
save_500MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
save_800MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_Sample_label .
save_
save_Homonuclear_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Homonuclear TOCSY'
_Sample_label .
save_
save_Homonuclear_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Homonuclear NOESY'
_Sample_label .
save_
save_1H-13C_CT-HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C CT-HSQC'
_Sample_label .
save_
save_CBCACOHN_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOHN
_Sample_label .
save_
save_CBCANH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_Sample_label .
save_
save_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACO_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACO
_Sample_label .
save_
save_CCONH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONH
_Sample_label .
save_
save_HCCONH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONH
_Sample_label .
save_
save_HBHACONH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_Sample_label .
save_
save_HCCH-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_(HB)CB(CGCD)HD_13
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCD)HD
_Sample_label .
save_
save_(HB)CB(CGCDCE)HE_14
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCDCE)HE
_Sample_label .
save_
save_1H-15N_NOESY-HSQC_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_Sample_label .
save_
save_1H-13C_NOESY-HSQC_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C NOESY-HSQC'
_Sample_label .
save_
save_1H15N_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_Homonuclear_TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Homonuclear TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_Homonuclear_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Homonuclear NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H-13C_CT-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C CT-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CBCACOHN
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOHN
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CBCANH
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCO
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCACO
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CCONH
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCONH
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HBHACONH
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_(HB)CB(CGCD)HD
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCD)HD
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_(HB)CB(CGCDCE)HE
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCDCE)HE
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H-15N_NOESY-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H-13C_NOESY-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C NOESY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details '20 mM KH2PO4 / K2HPO4, 25 mM NaCl at pH 5.7'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pD 5.7 0.1 pH
temperature 303 0.2 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0 external indirect . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 $entry_citation $entry_citation
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'Chitin binding domain'
_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
1 256 1 GLY HA2 H 3.586 0.001 2
2 256 1 GLY HA3 H 3.963 0.014 2
3 256 1 GLY CA C 43.028 0.099 1
4 257 2 PRO HA H 4.538 0.004 1
5 257 2 PRO HB2 H 1.967 0.019 2
6 257 2 PRO HB3 H 2.284 0.004 2
7 257 2 PRO HG2 H 2 0.003 2
8 257 2 PRO HD2 H 3.583 0.017 2
9 257 2 PRO HD3 H 3.604 0.01 2
10 257 2 PRO C C 177.055 0.001 1
11 257 2 PRO CA C 63.093 0.062 1
12 257 2 PRO CB C 32.308 0.047 1
13 257 2 PRO CG C 27.088 0.092 1
14 257 2 PRO CD C 49.649 0.058 1
15 258 3 THR H H 8.341 0.008 1
16 258 3 THR HA H 4.375 0.006 1
17 258 3 THR HB H 4.217 0.006 1
18 258 3 THR HG2 H 1.199 0.004 1
19 258 3 THR C C 174.463 0.003 1
20 258 3 THR CA C 61.944 0.11 1
21 258 3 THR CB C 69.778 0.122 1
22 258 3 THR CG2 C 21.817 0.101 1
23 258 3 THR N N 114.603 0.028 1
24 259 4 THR H H 8.179 0.01 1
25 259 4 THR HA H 4.668 0.004 1
26 259 4 THR HB H 4.142 0.005 1
27 259 4 THR HG2 H 1.211 0.004 1
28 259 4 THR C C 172.679 0.08 1
29 259 4 THR CA C 59.366 0.077 1
30 259 4 THR CB C 69.793 0.029 1
31 259 4 THR CG2 C 21.463 0.068 1
32 259 4 THR N N 118.857 0.043 1
33 260 5 PRO HA H 4.434 0.008 1
34 260 5 PRO HB2 H 1.871 0.008 2
35 260 5 PRO HB3 H 2.255 0.005 2
36 260 5 PRO HG2 H 1.971 0.033 2
37 260 5 PRO HD2 H 3.729 0.024 2
38 260 5 PRO HD3 H 3.813 0.01 2
39 260 5 PRO C C 176.469 0.001 1
40 260 5 PRO CA C 63.091 0.074 1
41 260 5 PRO CB C 32.086 0.062 1
42 260 5 PRO CG C 27.397 0.089 1
43 260 5 PRO CD C 51.13 0.053 1
44 261 6 VAL H H 8.107 0.012 1
45 261 6 VAL HA H 4.377 0.003 1
46 261 6 VAL HB H 2.032 0.005 1
47 261 6 VAL HG1 H 0.955 0.006 1
48 261 6 VAL HG2 H 0.94 0.006 1
49 261 6 VAL C C 174.461 0.08 1
50 261 6 VAL CA C 59.787 0.028 1
51 261 6 VAL CB C 32.728 0.054 1
52 261 6 VAL CG1 C 21.008 0.066 1
53 261 6 VAL CG2 C 20.455 0.231 1
54 261 6 VAL N N 121.602 0.054 1
55 262 7 PRO HA H 4.45 0.012 1
56 262 7 PRO HB2 H 1.894 0.015 2
57 262 7 PRO HB3 H 2.241 0.009 2
58 262 7 PRO HG2 H 1.994 0.008 2
59 262 7 PRO HD2 H 3.637 0.018 2
60 262 7 PRO HD3 H 3.846 0.011 2
61 262 7 PRO C C 176.635 0.001 1
62 262 7 PRO CA C 63.172 0.107 1
63 262 7 PRO CB C 32.037 0.032 1
64 262 7 PRO CG C 27.426 0.089 1
65 262 7 PRO CD C 51.115 0.048 1
66 263 8 VAL H H 8.161 0.011 1
67 263 8 VAL HA H 4.185 0.008 1
68 263 8 VAL HB H 1.968 0.006 1
69 263 8 VAL HG1 H 0.833 0.016 1
70 263 8 VAL HG2 H 0.868 0.003 1
71 263 8 VAL C C 175.999 0.001 1
72 263 8 VAL CA C 62.141 0.062 1
73 263 8 VAL CB C 33.236 0.041 1
74 263 8 VAL CG1 C 21.144 0.093 1
75 263 8 VAL CG2 C 20.628 0.122 1
76 263 8 VAL N N 120.234 0.037 1
77 264 9 SER H H 8.118 0.005 1
78 264 9 SER HA H 4.544 0.005 1
79 264 9 SER HB2 H 3.764 0.001 2
80 264 9 SER C C 173.718 0.005 1
81 264 9 SER CA C 57.885 0.109 1
82 264 9 SER CB C 64.213 0.086 1
83 264 9 SER N N 118.45 0.047 1
84 265 10 GLY H H 8.151 0.011 1
85 265 10 GLY HA2 H 3.923 0.007 2
86 265 10 GLY HA3 H 4.231 0.01 2
87 265 10 GLY C C 172.631 0.001 1
88 265 10 GLY CA C 45.177 0.054 1
89 265 10 GLY N N 109.983 0.034 1
90 266 11 SER H H 8.214 0.005 1
91 266 11 SER HA H 4.56 0.007 1
92 266 11 SER HB2 H 3.778 0.005 2
93 266 11 SER C C 171.802 0.005 1
94 266 11 SER CA C 58.34 0.124 1
95 266 11 SER CB C 64.779 0.283 1
96 266 11 SER N N 113.751 0.035 1
97 267 12 LEU H H 8.062 0.007 1
98 267 12 LEU HA H 4.926 0.009 1
99 267 12 LEU HB2 H 1.317 0.007 2
100 267 12 LEU HB3 H 1.561 0.01 2
101 267 12 LEU HG H 1.323 0.022 1
102 267 12 LEU HD1 H 1.33 0.008 1
103 267 12 LEU HD2 H 0.647 0.012 1
104 267 12 LEU C C 175.057 0.006 1
105 267 12 LEU CA C 53.944 0.099 1
106 267 12 LEU CB C 45.287 0.044 1
107 267 12 LEU CG C 26.969 0.192 1
108 267 12 LEU CD1 C 27.368 0.124 1
109 267 12 LEU CD2 C 26.051 0.155 1
110 267 12 LEU N N 121.908 0.058 1
111 268 13 GLU H H 8.991 0.005 1
112 268 13 GLU HA H 4.637 0.008 1
113 268 13 GLU HB2 H 1.822 0.006 2
114 268 13 GLU HB3 H 1.962 0.036 2
115 268 13 GLU HG2 H 2.093 0.012 2
116 268 13 GLU C C 174.337 0.002 1
117 268 13 GLU CA C 54.849 0.078 1
118 268 13 GLU CB C 32.743 0.047 1
119 268 13 GLU CG C 36.035 0.124 1
120 268 13 GLU N N 125.877 0.03 1
121 269 14 VAL H H 8.661 0.009 1
122 269 14 VAL HA H 4.766 0.01 1
123 269 14 VAL HB H 1.863 0.007 1
124 269 14 VAL HG1 H 0.777 0.007 1
125 269 14 VAL HG2 H 0.802 0.008 1
126 269 14 VAL C C 174.39 0.005 1
127 269 14 VAL CA C 60.614 0.06 1
128 269 14 VAL CB C 34.847 0.051 1
129 269 14 VAL CG1 C 21.209 0.037 1
130 269 14 VAL CG2 C 21.788 0.063 1
131 269 14 VAL N N 123.427 0.074 1
132 270 15 LYS H H 8.657 0.007 1
133 270 15 LYS HA H 4.62 0.006 1
134 270 15 LYS HB2 H 1.694 0.013 2
135 270 15 LYS HB3 H 1.807 0.016 2
136 270 15 LYS HG2 H 1.331 0.005 2
137 270 15 LYS HG3 H 1.43 0.004 2
138 270 15 LYS HD2 H 1.428 0.004 1
139 270 15 LYS HD3 H 1.428 0.004 1
140 270 15 LYS HE2 H 2.995 0.003 1
141 270 15 LYS C C 174.53 0.031 1
142 270 15 LYS CA C 54.76 0.048 1
143 270 15 LYS CB C 34.884 0.095 1
144 270 15 LYS CG C 24.783 0.049 1
145 270 15 LYS CD C 29.122 0.33 1
146 270 15 LYS CE C 41.98 0.062 1
147 270 15 LYS N N 129.153 0.038 1
148 271 16 VAL H H 8.401 0.01 1
149 271 16 VAL HA H 4.472 0.004 1
150 271 16 VAL HB H 1.577 0.004 1
151 271 16 VAL HG1 H 0.323 0.006 1
152 271 16 VAL HG2 H 0.402 0.028 1
153 271 16 VAL C C 175.085 0.003 1
154 271 16 VAL CA C 60.313 0.074 1
155 271 16 VAL CB C 34.495 0.051 1
156 271 16 VAL CG1 C 19.84 0.023 1
157 271 16 VAL CG2 C 22.245 0.115 1
158 271 16 VAL N N 123.818 0.035 1
159 272 17 ASN H H 8.232 0.007 1
160 272 17 ASN HA H 4.879 0.008 1
161 272 17 ASN HB2 H 2.728 0.023 2
162 272 17 ASN HB3 H 2.834 0.008 2
163 272 17 ASN HD21 H 6.938 0.019 2
164 272 17 ASN HD22 H 7.855 0.007 2
165 272 17 ASN C C 172.241 0.007 1
166 272 17 ASN CA C 52.065 0.054 1
167 272 17 ASN CB C 40.597 0.093 1
168 272 17 ASN CG C 176.897 0.012 1
169 272 17 ASN N N 125.862 0.049 1
170 272 17 ASN ND2 N 111.71 0.235 1
171 273 18 ASP H H 8.729 0.01 1
172 273 18 ASP HA H 4.62 0.006 1
173 273 18 ASP HB2 H 1.86 0.011 2
174 273 18 ASP HB3 H 2.747 0.008 2
175 273 18 ASP C C 175.42 0.002 1
176 273 18 ASP CA C 52.977 0.052 1
177 273 18 ASP CB C 44.276 0.04 1
178 273 18 ASP N N 125.395 0.033 1
179 274 19 TRP H H 8.194 0.006 1
180 274 19 TRP HA H 5.143 0.003 1
181 274 19 TRP HB2 H 3.09 0.006 2
182 274 19 TRP HB3 H 3.647 0.014 2
183 274 19 TRP HD1 H 6.806 0.019 1
184 274 19 TRP HE1 H 9.339 0.013 1
185 274 19 TRP HE3 H 7.268 0.004 1
186 274 19 TRP HZ2 H 6.759 0.014 1
187 274 19 TRP HZ3 H 7.019 0.008 1
188 274 19 TRP HH2 H 6.725 0.01 1
189 274 19 TRP C C 176.203 0.006 1
190 274 19 TRP CA C 56.423 0.132 1
191 274 19 TRP CB C 27.406 0.038 1
192 274 19 TRP CZ2 C 112.961 0.25 1
193 274 19 TRP N N 124.859 0.047 1
194 274 19 TRP NE1 N 130.232 0.019 1
195 275 20 GLY H H 9.133 0.006 1
196 275 20 GLY HA2 H 3.457 0.006 2
197 275 20 GLY HA3 H 4.76 0.021 2
198 275 20 GLY C C 174.934 0.006 1
199 275 20 GLY CA C 46.82 0.068 1
200 275 20 GLY N N 116.05 0.027 1
201 276 21 SER H H 8.006 0.01 1
202 276 21 SER HA H 4.664 0.005 1
203 276 21 SER HB2 H 3.934 0.005 2
204 276 21 SER HB3 H 4.208 0.004 2
205 276 21 SER C C 173.883 0.007 1
206 276 21 SER CA C 58.236 0.22 1
207 276 21 SER CB C 63.505 0.127 1
208 276 21 SER N N 115.534 0.072 1
209 277 22 GLY H H 6.48 0.007 1
210 277 22 GLY HA2 H 3.383 0.012 2
211 277 22 GLY HA3 H 4.506 0.005 2
212 277 22 GLY C C 168.083 0.006 1
213 277 22 GLY CA C 44.565 0.03 1
214 277 22 GLY N N 109.492 0.032 1
215 278 23 ALA H H 8.02 0.01 1
216 278 23 ALA HA H 3.881 0.008 1
217 278 23 ALA HB H 0.887 0.004 1
218 278 23 ALA C C 174.089 0.005 1
219 278 23 ALA CA C 50.592 0.036 1
220 278 23 ALA CB C 23.723 0.041 1
221 278 23 ALA N N 118.091 0.034 1
222 279 24 GLU H H 8.383 0.007 1
223 279 24 GLU HA H 4.902 0.011 1
224 279 24 GLU HB2 H 2.053 0.017 2
225 279 24 GLU HB3 H 2.38 0.014 2
226 279 24 GLU HG2 H 2.249 0.006 2
227 279 24 GLU C C 173.745 0.003 1
228 279 24 GLU CA C 54.223 0.128 1
229 279 24 GLU CB C 31.124 0.077 1
230 279 24 GLU CG C 34.454 0.056 1
231 279 24 GLU N N 121.297 0.04 1
232 280 25 TYR H H 8.781 0.005 1
233 280 25 TYR HA H 4.338 0.013 1
234 280 25 TYR HB2 H 0.956 0.014 2
235 280 25 TYR HB3 H 1.38 0.012 2
236 280 25 TYR HD1 H 6.372 0.016 3
237 280 25 TYR HE1 H 6.33 0.018 3
238 280 25 TYR C C 173.042 0.002 1
239 280 25 TYR CA C 56.564 0.068 1
240 280 25 TYR CB C 39.769 0.062 1
241 280 25 TYR CD1 C 129.644 0.25 3
242 280 25 TYR CE1 C 117.442 0.25 3
243 280 25 TYR N N 127.166 0.056 1
244 281 26 ASP H H 8.649 0.005 1
245 281 26 ASP HA H 5.071 0.008 1
246 281 26 ASP HB2 H 2.525 0.01 2
247 281 26 ASP HB3 H 2.798 0.009 2
248 281 26 ASP C C 174.834 0.005 1
249 281 26 ASP CA C 52.835 0.071 1
250 281 26 ASP CB C 41.529 0.078 1
251 281 26 ASP N N 120.632 0.038 1
252 282 27 VAL H H 8.893 0.009 1
253 282 27 VAL HA H 4.409 0.008 1
254 282 27 VAL HB H 0.532 0.018 1
255 282 27 VAL HG1 H 0.486 0.026 1
256 282 27 VAL HG2 H 0.325 0.034 1
257 282 27 VAL C C 174.666 0.029 1
258 282 27 VAL CA C 61.557 0.081 1
259 282 27 VAL CB C 32.567 0.047 1
260 282 27 VAL CG1 C 22.878 0.038 1
261 282 27 VAL CG2 C 21.023 0.047 1
262 282 27 VAL N N 127.975 0.038 1
263 283 28 THR H H 9.039 0.007 1
264 283 28 THR HA H 4.887 0.01 1
265 283 28 THR HB H 3.837 0.005 1
266 283 28 THR HG2 H 1.025 0.008 1
267 283 28 THR C C 172.356 0.012 1
268 283 28 THR CA C 62.115 0.094 1
269 283 28 THR CB C 71.19 0.159 1
270 283 28 THR CG2 C 21.119 0.065 1
271 283 28 THR N N 124.181 0.043 1
272 284 29 LEU H H 9.449 0.005 1
273 284 29 LEU HA H 4.935 0.009 1
274 284 29 LEU HB2 H 0.91 0.035 2
275 284 29 LEU HB3 H 1.529 0.011 2
276 284 29 LEU HG H 1.085 0.016 1
277 284 29 LEU HD1 H -0.483 0.008 1
278 284 29 LEU HD2 H 0.247 0.008 1
279 284 29 LEU C C 174.884 0.004 1
280 284 29 LEU CA C 52.864 0.071 1
281 284 29 LEU CB C 42.448 0.119 1
282 284 29 LEU CG C 26.745 0.162 1
283 284 29 LEU CD1 C 23.743 0.036 1
284 284 29 LEU CD2 C 25.561 0.047 1
285 284 29 LEU N N 126.339 0.061 1
286 285 30 ASN H H 8.545 0.007 1
287 285 30 ASN HA H 5.209 0.007 1
288 285 30 ASN HB2 H 2.561 0.007 2
289 285 30 ASN HB3 H 2.729 0.009 2
290 285 30 ASN HD21 H 6.879 0.006 2
291 285 30 ASN HD22 H 7.296 0.005 2
292 285 30 ASN C C 173.899 0.011 1
293 285 30 ASN CA C 52.643 0.045 1
294 285 30 ASN CB C 39.521 0.106 1
295 285 30 ASN CG C 177.111 0.011 1
296 285 30 ASN N N 122.354 0.045 1
297 285 30 ASN ND2 N 113.837 0.244 1
298 286 31 LEU H H 8.894 0.008 1
299 286 31 LEU HA H 4.898 0.009 1
300 286 31 LEU HB2 H 1.837 0.007 2
301 286 31 LEU HB3 H 2.677 0.007 2
302 286 31 LEU HG H 1.617 0.007 1
303 286 31 LEU HD1 H 1.045 0.01 1
304 286 31 LEU HD2 H 0.714 0.008 1
305 286 31 LEU C C 176.931 0.007 1
306 286 31 LEU CA C 53.374 0.079 1
307 286 31 LEU CB C 44.588 0.058 1
308 286 31 LEU CG C 27.255 0.112 1
309 286 31 LEU CD1 C 26.178 0.089 1
310 286 31 LEU CD2 C 23.255 0.04 1
311 286 31 LEU N N 122.524 0.035 1
312 287 32 ASP H H 8.405 0.008 1
313 287 32 ASP HA H 4.724 0.025 1
314 287 32 ASP HB2 H 2.694 0.012 2
315 287 32 ASP HB3 H 3.017 0.006 2
316 287 32 ASP C C 176.017 0.004 1
317 287 32 ASP CA C 53.612 0.161 1
318 287 32 ASP CB C 40.133 0.105 1
319 287 32 ASP N N 118.075 0.026 1
320 288 33 GLY H H 7.418 0.005 1
321 288 33 GLY HA2 H 3.712 0.008 2
322 288 33 GLY HA3 H 3.93 0.011 2
323 288 33 GLY C C 170.607 0.004 1
324 288 33 GLY CA C 44.653 0.065 1
325 288 33 GLY N N 105.806 0.036 1
326 289 34 GLN H H 7.755 0.009 1
327 289 34 GLN HA H 4.621 0.01 1
328 289 34 GLN HB2 H 1.545 0.012 2
329 289 34 GLN HB3 H 1.755 0.013 2
330 289 34 GLN HG2 H 1.915 0.01 2
331 289 34 GLN HG3 H 2.145 0.007 2
332 289 34 GLN HE21 H 6.828 0.006 2
333 289 34 GLN HE22 H 7.407 0.008 2
334 289 34 GLN C C 175.617 0.012 1
335 289 34 GLN CA C 54.766 0.058 1
336 289 34 GLN CB C 29.69 0.149 1
337 289 34 GLN CG C 34.308 0.058 1
338 289 34 GLN CD C 180.39 0.01 1
339 289 34 GLN N N 116.813 0.04 1
340 289 34 GLN NE2 N 111.633 0.234 1
341 290 35 TYR H H 8.996 0.014 1
342 290 35 TYR HA H 4.777 0.005 1
343 290 35 TYR HB2 H 2.476 0.004 2
344 290 35 TYR HB3 H 3.053 0.006 2
345 290 35 TYR HD1 H 7.083 0.005 3
346 290 35 TYR HE1 H 6.739 0.005 3
347 290 35 TYR C C 174.396 0.005 1
348 290 35 TYR CA C 56.864 0.065 1
349 290 35 TYR CB C 44.137 0.032 1
350 290 35 TYR CD1 C 133.803 0.25 3
351 290 35 TYR CE1 C 117.442 0.25 3
352 290 35 TYR N N 120.652 0.041 1
353 291 36 ASP H H 8.571 0.008 1
354 291 36 ASP HA H 4.572 0.008 1
355 291 36 ASP HB2 H 2.469 0.007 2
356 291 36 ASP HB3 H 2.621 0.008 2
357 291 36 ASP C C 175.117 0.018 1
358 291 36 ASP CA C 53.575 0.127 1
359 291 36 ASP CB C 39.282 0.037 1
360 291 36 ASP N N 120.808 0.036 1
361 292 37 TRP H H 6.835 0.005 1
362 292 37 TRP HA H 4.635 0.008 1
363 292 37 TRP HB2 H 2.814 0.007 2
364 292 37 TRP HB3 H 3.238 0.006 2
365 292 37 TRP HD1 H 7.317 0.01 1
366 292 37 TRP HE1 H 10.175 0.001 1
367 292 37 TRP HE3 H 7.008 0.005 1
368 292 37 TRP HZ2 H 7.234 0.007 1
369 292 37 TRP HZ3 H 6.04 0.007 1
370 292 37 TRP HH2 H 5.938 0.006 1
371 292 37 TRP C C 174.411 0.008 1
372 292 37 TRP CA C 54.675 0.015 1
373 292 37 TRP CB C 32.054 0.049 1
374 292 37 TRP CE3 C 122.663 0.048 1
375 292 37 TRP CZ2 C 113.559 0.25 1
376 292 37 TRP CZ3 C 121.047 0.001 1
377 292 37 TRP CH2 C 124.652 0.001 1
378 292 37 TRP N N 120.57 0.036 1
379 292 37 TRP NE1 N 128.993 0.048 1
380 293 38 THR H H 8.367 0.006 1
381 293 38 THR HA H 5.039 0.005 1
382 293 38 THR HB H 3.914 0.008 1
383 293 38 THR HG2 H 0.978 0.007 1
384 293 38 THR C C 173.662 0.008 1
385 293 38 THR CA C 62.323 0.04 1
386 293 38 THR CB C 72.184 0.051 1
387 293 38 THR CG2 C 22.162 0.098 1
388 293 38 THR N N 113.277 0.038 1
389 294 39 VAL H H 9.54 0.007 1
390 294 39 VAL HA H 5.256 0.006 1
391 294 39 VAL HB H 2.129 0.006 1
392 294 39 VAL HG1 H 0.978 0.007 1
393 294 39 VAL HG2 H 1.007 0.006 1
394 294 39 VAL C C 174.317 0.009 1
395 294 39 VAL CA C 60.874 0.06 1
396 294 39 VAL CB C 34.633 0.061 1
397 294 39 VAL CG1 C 22.069 0.094 1
398 294 39 VAL CG2 C 24.514 0.042 1
399 294 39 VAL N N 127.142 0.033 1
400 295 40 LYS H H 8.981 0.007 1
401 295 40 LYS HA H 4.944 0.009 1
402 295 40 LYS HB2 H 1.444 0.007 2
403 295 40 LYS HG2 H 0.935 0.009 2
404 295 40 LYS HG3 H 1.06 0.011 2
405 295 40 LYS HD2 H 1.087 0.01 2
406 295 40 LYS HE2 H 2.226 0.008 2
407 295 40 LYS C C 175.294 0.005 1
408 295 40 LYS CA C 55.156 0.058 1
409 295 40 LYS CB C 34.289 0.084 1
410 295 40 LYS CG C 25.68 0.056 1
411 295 40 LYS CD C 29.082 0.103 1
412 295 40 LYS CE C 41.139 0.069 1
413 295 40 LYS N N 128.436 0.045 1
414 296 41 VAL H H 9.368 0.005 1
415 296 41 VAL HA H 4.765 0.007 1
416 296 41 VAL HB H 1.937 0.007 1
417 296 41 VAL HG1 H 0.702 0.032 1
418 296 41 VAL HG2 H 0.855 0.033 1
419 296 41 VAL C C 174.297 0.009 1
420 296 41 VAL CA C 60.793 0.075 1
421 296 41 VAL CB C 34.612 0.064 1
422 296 41 VAL CG1 C 21.927 0.056 1
423 296 41 VAL CG2 C 21.4 0.077 1
424 296 41 VAL N N 125.349 0.037 1
425 297 42 LYS H H 8.851 0.007 1
426 297 42 LYS HA H 4.516 0.007 1
427 297 42 LYS HB2 H 1.556 0.011 2
428 297 42 LYS HB3 H 1.809 0.01 2
429 297 42 LYS HG2 H 1.055 0.009 2
430 297 42 LYS HG3 H 1.18 0.012 2
431 297 42 LYS HD2 H 1.391 0.01 2
432 297 42 LYS HD3 H 1.488 0.006 2
433 297 42 LYS HE2 H 2.78 0.011 2
434 297 42 LYS HE3 H 2.826 0.006 2
435 297 42 LYS C C 175.729 0.032 1
436 297 42 LYS CA C 54.922 0.059 1
437 297 42 LYS CB C 34.842 0.11 1
438 297 42 LYS CG C 25.128 0.047 1
439 297 42 LYS CD C 29.025 0.095 1
440 297 42 LYS CE C 41.852 0.085 1
441 297 42 LYS N N 128.474 0.048 1
442 298 43 LEU H H 8.554 0.007 1
443 298 43 LEU HA H 4.36 0.007 1
444 298 43 LEU HB2 H 1.524 0.002 2
445 298 43 LEU HB3 H 1.603 0.005 2
446 298 43 LEU HG H 1.489 0.008 1
447 298 43 LEU HD1 H 0.758 0.022 1
448 298 43 LEU HD2 H 0.615 0.007 1
449 298 43 LEU C C 176.066 0.009 1
450 298 43 LEU CA C 54.611 0.031 1
451 298 43 LEU CB C 42.735 0.061 1
452 298 43 LEU CG C 27.15 0.08 1
453 298 43 LEU CD1 C 25.882 0.045 1
454 298 43 LEU CD2 C 23.68 0.055 1
455 298 43 LEU N N 129.071 0.057 1
456 299 44 ALA H H 7.698 0.006 1
457 299 44 ALA HA H 4.425 0.056 1
458 299 44 ALA HB H 1.138 0.006 1
459 299 44 ALA C C 174.808 0.048 1
460 299 44 ALA CA C 50.724 0.07 1
461 299 44 ALA CB C 17.404 0.052 1
462 299 44 ALA N N 123.507 0.039 1
463 300 45 PRO HA H 4.235 0.006 1
464 300 45 PRO HB2 H 1.765 0.007 2
465 300 45 PRO HB3 H 2.226 0.008 2
466 300 45 PRO HG2 H 1.93 0.008 2
467 300 45 PRO HG3 H 2.071 0.009 2
468 300 45 PRO HD2 H 3.506 0.01 2
469 300 45 PRO HD3 H 3.837 0.005 2
470 300 45 PRO C C 177.834 0.007 1
471 300 45 PRO CA C 64.144 0.058 1
472 300 45 PRO CB C 31.38 0.114 1
473 300 45 PRO CG C 28.117 0.251 1
474 300 45 PRO CD C 50.181 0.105 1
475 301 46 GLY H H 8.529 0.009 1
476 301 46 GLY HA2 H 3.618 0.01 2
477 301 46 GLY HA3 H 4.053 0.007 2
478 301 46 GLY C C 173.665 0.001 1
479 301 46 GLY CA C 45.195 0.077 1
480 301 46 GLY N N 111.145 0.044 1
481 302 47 ALA H H 7.913 0.006 1
482 302 47 ALA HA H 5.462 0.005 1
483 302 47 ALA HB H 1.41 0.005 1
484 302 47 ALA C C 176.959 0.001 1
485 302 47 ALA CA C 50.839 0.025 1
486 302 47 ALA CB C 21.415 0.042 1
487 302 47 ALA N N 124.276 0.026 1
488 303 48 THR H H 8.932 0.007 1
489 303 48 THR HA H 4.591 0.01 1
490 303 48 THR HB H 4.072 0.005 1
491 303 48 THR HG2 H 1.134 0.013 1
492 303 48 THR C C 173.422 0.002 1
493 303 48 THR CA C 59.858 0.078 1
494 303 48 THR CB C 72.564 0.06 1
495 303 48 THR CG2 C 22.082 0.093 1
496 303 48 THR N N 110.817 0.049 1
497 304 49 VAL H H 9.035 0.012 1
498 304 49 VAL HA H 4.487 0.01 1
499 304 49 VAL HB H 2.019 0.009 1
500 304 49 VAL HG1 H 1.174 0.01 1
501 304 49 VAL HG2 H 0.954 0.004 1
502 304 49 VAL C C 176.491 0.011 1
503 304 49 VAL CA C 63.313 0.094 1
504 304 49 VAL CB C 32.07 0.035 1
505 304 49 VAL CG1 C 22.293 0.056 1
506 304 49 VAL CG2 C 23.818 0.075 1
507 304 49 VAL N N 123.39 0.063 1
508 305 50 GLY H H 9.512 0.01 1
509 305 50 GLY HA2 H 3.727 0.005 2
510 305 50 GLY HA3 H 4.493 0.011 2
511 305 50 GLY C C 173.695 0.005 1
512 305 50 GLY CA C 45.33 0.099 1
513 305 50 GLY N N 118.693 0.031 1
514 306 51 SER H H 8.299 0.006 1
515 306 51 SER HA H 4.759 0.004 1
516 306 51 SER HB2 H 4.06 0.003 2
517 306 51 SER C C 171.88 0.003 1
518 306 51 SER CA C 58.539 0.053 1
519 306 51 SER CB C 64.567 0.069 1
520 306 51 SER N N 117.901 0.122 1
521 307 52 PHE H H 7.949 0.013 1
522 307 52 PHE HA H 5.015 0.008 1
523 307 52 PHE HB2 H 2.941 0.005 2
524 307 52 PHE HB3 H 3.37 0.006 2
525 307 52 PHE HD1 H 7.22 0.006 3
526 307 52 PHE HE1 H 6.45 0.002 3
527 307 52 PHE HZ H 6.316 0.004 1
528 307 52 PHE C C 173.367 0.001 1
529 307 52 PHE CA C 57.201 0.085 1
530 307 52 PHE CB C 41.737 0.084 1
531 307 52 PHE N N 115.83 0.044 1
532 308 53 TRP H H 8.217 0.008 1
533 308 53 TRP HA H 5.092 0.007 1
534 308 53 TRP HB2 H 2.938 0.014 2
535 308 53 TRP HB3 H 3.177 0.022 2
536 308 53 TRP HD1 H 7.158 0.017 1
537 308 53 TRP HE1 H 10.061 0.002 1
538 308 53 TRP HE3 H 7.219 0.002 1
539 308 53 TRP HZ2 H 7.22 0.006 1
540 308 53 TRP HZ3 H 7.535 0.003 1
541 308 53 TRP HH2 H 7.631 0.001 1
542 308 53 TRP C C 173.907 0.004 1
543 308 53 TRP CA C 56.153 0.051 1
544 308 53 TRP CB C 30.052 0.03 1
545 308 53 TRP N N 117.631 0.024 1
546 308 53 TRP NE1 N 128.932 0.009 1
547 309 54 SER H H 8.905 0.011 1
548 309 54 SER HA H 4.031 0.005 1
549 309 54 SER HB2 H 4.474 0.004 2
550 309 54 SER HB3 H 4.748 0.009 2
551 309 54 SER C C 171.308 0.001 1
552 309 54 SER CA C 59.12 0.052 1
553 309 54 SER CB C 61.172 0.074 1
554 309 54 SER N N 107.263 0.051 1
555 310 55 ALA H H 7.72 0.007 1
556 310 55 ALA HA H 4.585 0.006 1
557 310 55 ALA HB H 1.03 0.007 1
558 310 55 ALA C C 175.408 0.002 1
559 310 55 ALA CA C 50.925 0.028 1
560 310 55 ALA CB C 22.846 0.071 1
561 310 55 ALA N N 117.178 0.039 1
562 311 56 ASN H H 9.131 0.006 1
563 311 56 ASN HA H 5.032 0.008 1
564 311 56 ASN HB2 H 2.348 0.008 2
565 311 56 ASN HB3 H 2.499 0.009 2
566 311 56 ASN HD21 H 6.702 0.006 2
567 311 56 ASN C C 173.383 0.006 1
568 311 56 ASN CA C 52.325 0.053 1
569 311 56 ASN CB C 40.332 0.041 1
570 311 56 ASN CG C 176.253 0.33 1
571 311 56 ASN N N 117.954 0.017 1
572 311 56 ASN ND2 N 113.947 0.253 1
573 312 57 LYS H H 8.287 0.015 1
574 312 57 LYS HA H 4.475 0.007 1
575 312 57 LYS HB2 H 0.011 0.019 2
576 312 57 LYS HB3 H 0.761 0.014 2
577 312 57 LYS HG2 H 0.261 0.046 2
578 312 57 LYS HG3 H 0.34 0.018 2
579 312 57 LYS HD2 H 0.795 0.007 2
580 312 57 LYS HD3 H 1.045 0.007 2
581 312 57 LYS HE2 H 2.467 0.009 2
582 312 57 LYS HE3 H 2.665 0.009 2
583 312 57 LYS C C 174.96 0.022 1
584 312 57 LYS CA C 54.875 0.075 1
585 312 57 LYS CB C 34.605 0.053 1
586 312 57 LYS CG C 24.073 0.044 1
587 312 57 LYS CD C 28.126 0.075 1
588 312 57 LYS CE C 41.129 0.073 1
589 312 57 LYS N N 121.259 0.024 1
590 313 58 GLN H H 8.579 0.007 1
591 313 58 GLN HA H 4.446 0.006 1
592 313 58 GLN HB2 H 1.709 0.008 2
593 313 58 GLN HB3 H 1.88 0.009 2
594 313 58 GLN HG2 H 2.106 0.006 2
595 313 58 GLN HE21 H 6.693 0.006 2
596 313 58 GLN HE22 H 7.395 0.01 2
597 313 58 GLN C C 173.921 0.08 1
598 313 58 GLN CA C 54.323 0.072 1
599 313 58 GLN CB C 32.39 0.064 1
600 313 58 GLN CG C 33.736 0.084 1
601 313 58 GLN CD C 180.325 0.018 1
602 313 58 GLN N N 126.095 0.083 1
603 313 58 GLN NE2 N 111.449 0.255 1
604 314 59 GLU H H 8.617 0.01 1
605 314 59 GLU HA H 4.673 0.009 1
606 314 59 GLU HB2 H 1.74 0.009 2
607 314 59 GLU HB3 H 1.982 0.012 2
608 314 59 GLU HG2 H 2.041 0.009 2
609 314 59 GLU C C 175.694 0.003 1
610 314 59 GLU CA C 55.803 0.034 1
611 314 59 GLU CB C 32.196 0.083 1
612 314 59 GLU CG C 36.539 0.046 1
613 314 59 GLU N N 122.685 0.041 1
614 315 60 GLY H H 8.08 0.005 1
615 315 60 GLY HA2 H 3.465 0.004 2
616 315 60 GLY HA3 H 4.117 0.01 2
617 315 60 GLY C C 173.282 0.001 1
618 315 60 GLY CA C 45.181 0.101 1
619 315 60 GLY N N 111.02 0.038 1
620 316 61 ASN H H 8.733 0.014 1
621 316 61 ASN HA H 4.511 0.005 1
622 316 61 ASN HB2 H 2.717 0.003 2
623 316 61 ASN HB3 H 3.008 0.006 2
624 316 61 ASN HD21 H 6.846 0.009 2
625 316 61 ASN HD22 H 7.512 0.008 2
626 316 61 ASN C C 174.432 0.005 1
627 316 61 ASN CA C 53.592 0.12 1
628 316 61 ASN CB C 37.518 0.131 1
629 316 61 ASN CG C 177.84 0.011 1
630 316 61 ASN N N 119.761 0.025 1
631 316 61 ASN ND2 N 112.094 0.236 1
632 317 62 GLY H H 8.594 0.008 1
633 317 62 GLY HA2 H 3.588 0.007 2
634 317 62 GLY HA3 H 4.086 0.01 2
635 317 62 GLY C C 173.782 0.004 1
636 317 62 GLY CA C 45.162 0.058 1
637 317 62 GLY N N 107.876 0.048 1
638 318 63 TYR H H 7.496 0.006 1
639 318 63 TYR HA H 5.134 0.005 1
640 318 63 TYR HB2 H 2.657 0.022 2
641 318 63 TYR HB3 H 2.723 0.011 2
642 318 63 TYR HD1 H 6.749 0.012 3
643 318 63 TYR HE1 H 6.703 0.008 3
644 318 63 TYR C C 174.591 0.003 1
645 318 63 TYR CA C 56.536 0.089 1
646 318 63 TYR CB C 41.739 0.047 1
647 318 63 TYR CD1 C 133.249 0.25 3
648 318 63 TYR CE1 C 117.719 0.25 3
649 318 63 TYR N N 116.803 0.021 1
650 319 64 VAL H H 9.056 0.006 1
651 319 64 VAL HA H 4.205 0.006 1
652 319 64 VAL HB H 1.475 0.008 1
653 319 64 VAL HG1 H 0.156 0.011 1
654 319 64 VAL HG2 H 0.548 0.01 1
655 319 64 VAL C C 173.325 0.008 1
656 319 64 VAL CA C 61.382 0.043 1
657 319 64 VAL CB C 33.564 0.055 1
658 319 64 VAL CG1 C 22.58 0.057 1
659 319 64 VAL CG2 C 21.734 0.095 1
660 319 64 VAL N N 119.725 0.037 1
661 320 65 ILE H H 8.581 0.005 1
662 320 65 ILE HA H 4.637 0.008 1
663 320 65 ILE HB H 1.429 0.007 1
664 320 65 ILE HG12 H 0.785 0.009 1
665 320 65 ILE HG13 H 1.293 0.017 1
666 320 65 ILE HG2 H 0.632 0.006 1
667 320 65 ILE HD1 H 0.621 0.008 1
668 320 65 ILE C C 175.076 0.015 1
669 320 65 ILE CA C 59.929 0.115 1
670 320 65 ILE CB C 40.224 0.041 1
671 320 65 ILE CG1 C 27.785 0.061 1
672 320 65 ILE CG2 C 18.485 0.053 1
673 320 65 ILE CD1 C 13.267 0.058 1
674 320 65 ILE N N 125.735 0.063 1
675 321 66 PHE H H 9.515 0.009 1
676 321 66 PHE HA H 5.681 0.007 1
677 321 66 PHE HB2 H 2.274 0.012 2
678 321 66 PHE HB3 H 2.553 0.011 2
679 321 66 PHE HD1 H 6.715 0.005 3
680 321 66 PHE HE1 H 6.012 0.008 3
681 321 66 PHE HZ H 6.09 0.012 1
682 321 66 PHE C C 174.715 0.005 1
683 321 66 PHE CA C 56.277 0.023 1
684 321 66 PHE CB C 42.133 0.067 1
685 321 66 PHE CD1 C 131.308 0.25 3
686 321 66 PHE CE1 C 129.921 0.25 3
687 321 66 PHE CZ C 127.98 0.25 1
688 321 66 PHE N N 127.167 0.045 1
689 322 67 THR H H 8.169 0.006 1
690 322 67 THR HA H 4.326 0.02 1
691 322 67 THR HB H 4.03 0.013 1
692 322 67 THR HG2 H 1.015 0.008 1
693 322 67 THR C C 171.474 0.08 1
694 322 67 THR CA C 57.916 0.146 1
695 322 67 THR CB C 69.871 0.167 1
696 322 67 THR CG2 C 22.73 0.145 1
697 322 67 THR N N 111.42 0.043 1
698 323 68 PRO HA H 3.699 0.007 1
699 323 68 PRO HB2 H 1.586 0.013 2
700 323 68 PRO HB3 H 1.724 0.009 2
701 323 68 PRO HG2 H 0.547 0.009 2
702 323 68 PRO HG3 H 1.435 0.007 2
703 323 68 PRO HD2 H 2.998 0.006 2
704 323 68 PRO HD3 H 1.576 0.008 2
705 323 68 PRO C C 179.731 0.08 1
706 323 68 PRO CA C 63.934 0.073 1
707 323 68 PRO CB C 30.899 0.04 1
708 323 68 PRO CG C 26.184 0.089 1
709 323 68 PRO CD C 49.541 0.022 1
710 324 69 VAL H H 5.592 0.015 1
711 324 69 VAL HA H 4.213 0.004 1
712 324 69 VAL HB H 1.872 0.006 1
713 324 69 VAL HG1 H 0.586 0.143 1
714 324 69 VAL HG2 H -0.284 0.005 1
715 324 69 VAL C C 178.772 0.013 1
716 324 69 VAL CA C 60.735 0.062 1
717 324 69 VAL CB C 31.459 0.153 1
718 324 69 VAL CG1 C 21.59 0.042 1
719 324 69 VAL CG2 C 17.374 0.05 1
720 324 69 VAL N N 109.629 0.062 1
721 325 70 SER H H 8.371 0.011 1
722 325 70 SER HA H 3.882 0.01 1
723 325 70 SER HB2 H 3.753 0.006 2
724 325 70 SER C C 176.629 2.146 1
725 325 70 SER CA C 62.574 0.077 1
726 325 70 SER CB C 62.73 0.015 1
727 325 70 SER N N 114.958 0.044 1
728 326 71 TRP H H 6.493 0.006 1
729 326 71 TRP HA H 4.819 0.011 1
730 326 71 TRP HB2 H 3.012 0.01 2
731 326 71 TRP HB3 H 3.795 0.003 2
732 326 71 TRP HD1 H 7.084 0.01 1
733 326 71 TRP HE1 H 10.059 0.006 1
734 326 71 TRP HE3 H 7.61 0.01 1
735 326 71 TRP HZ2 H 7.375 0.01 1
736 326 71 TRP HZ3 H 7.25 0.007 1
737 326 71 TRP HH2 H 7.48 0.022 1
738 326 71 TRP C C 176.433 0.003 1
739 326 71 TRP CA C 54.695 0.067 1
740 326 71 TRP CB C 29.136 0.055 1
741 326 71 TRP CE3 C 121.53 0.25 1
742 326 71 TRP CZ2 C 114.879 0.005 1
743 326 71 TRP CZ3 C 122.085 0.25 1
744 326 71 TRP CH2 C 125.135 0.25 1
745 326 71 TRP N N 114.229 0.025 1
746 326 71 TRP NE1 N 131.852 0.031 1
747 327 72 ASN H H 7.664 0.007 1
748 327 72 ASN HA H 5.724 0.005 1
749 327 72 ASN HB2 H 1.126 0.019 2
750 327 72 ASN HB3 H 2.414 0.011 2
751 327 72 ASN HD21 H 7.657 0.002 2
752 327 72 ASN HD22 H 7.869 0.001 2
753 327 72 ASN C C 175.06 0.003 1
754 327 72 ASN CA C 50.775 0.088 1
755 327 72 ASN CB C 40.13 0.054 1
756 327 72 ASN N N 122.766 0.036 1
757 327 72 ASN ND2 N 108.709 0.027 1
758 328 73 LYS H H 8.043 0.005 1
759 328 73 LYS HA H 4.421 0.006 1
760 328 73 LYS HB2 H 1.685 0.008 2
761 328 73 LYS HB3 H 2.249 0.007 2
762 328 73 LYS HG2 H 0.944 0.009 2
763 328 73 LYS HG3 H 1.452 0.01 2
764 328 73 LYS HD2 H 1.431 0.015 2
765 328 73 LYS HE2 H 2.573 0.013 2
766 328 73 LYS HE3 H 2.703 0.007 2
767 328 73 LYS C C 174.923 0.009 1
768 328 73 LYS CA C 58.141 0.118 1
769 328 73 LYS CB C 32.954 0.068 1
770 328 73 LYS CG C 26.457 0.05 1
771 328 73 LYS CD C 29.26 0.113 1
772 328 73 LYS CE C 42.186 0.33 1
773 328 73 LYS N N 115.886 0.042 1
774 329 74 GLY H H 8.455 0.009 1
775 329 74 GLY HA2 H 3.243 0.009 2
776 329 74 GLY HA3 H 5.222 0.007 2
777 329 74 GLY C C 172.76 0.08 1
778 329 74 GLY CA C 43.067 0.037 1
779 329 74 GLY N N 105.079 0.04 1
780 330 75 PRO HA H 4.661 0.006 1
781 330 75 PRO HB2 H 2.229 0.005 2
782 330 75 PRO HB3 H 2.274 0.011 2
783 330 75 PRO HG2 H 1.757 0.006 2
784 330 75 PRO HG3 H 2.016 0.009 2
785 330 75 PRO HD2 H 3.522 0.011 2
786 330 75 PRO HD3 H 3.769 0.009 2
787 330 75 PRO C C 175.719 0.008 1
788 330 75 PRO CA C 64.277 0.053 1
789 330 75 PRO CB C 34.894 0.063 1
790 330 75 PRO CG C 25.457 0.035 1
791 330 75 PRO CD C 50.818 0.085 1
792 331 76 THR H H 8.154 0.01 1
793 331 76 THR HA H 5.403 0.007 1
794 331 76 THR HB H 4.083 0.006 1
795 331 76 THR HG2 H 1.206 0.009 1
796 331 76 THR C C 174.262 0.003 1
797 331 76 THR CA C 61.244 0.064 1
798 331 76 THR CB C 69.284 0.161 1
799 331 76 THR CG2 C 21.909 0.081 1
800 331 76 THR N N 115.789 0.024 1
801 332 77 ALA H H 8.844 0.006 1
802 332 77 ALA HA H 5.047 0.005 1
803 332 77 ALA HB H 1.206 0.006 1
804 332 77 ALA C C 175.719 0.08 1
805 332 77 ALA CA C 50.956 0.035 1
806 332 77 ALA CB C 22.271 0.107 1
807 332 77 ALA N N 131.305 0.05 1
808 333 78 THR H H 8.324 0.005 1
809 333 78 THR HA H 5.699 0.005 1
810 333 78 THR HB H 4.294 0.007 1
811 333 78 THR HG2 H 1.301 0.006 1
812 333 78 THR C C 174.298 0.008 1
813 333 78 THR CA C 59.085 0.056 1
814 333 78 THR CB C 71.797 0.154 1
815 333 78 THR CG2 C 21.774 0.047 1
816 333 78 THR N N 113.116 0.063 1
817 334 79 PHE H H 9.105 0.006 1
818 334 79 PHE HA H 4.87 0.021 1
819 334 79 PHE HB2 H 2.939 0.013 2
820 334 79 PHE HB3 H 3.933 0.012 2
821 334 79 PHE HD1 H 6.504 0.008 3
822 334 79 PHE HE1 H 6.569 0.01 3
823 334 79 PHE HZ H 6.461 0.006 1
824 334 79 PHE C C 170.844 0.015 1
825 334 79 PHE CA C 56.594 0.095 1
826 334 79 PHE CB C 39.89 0.043 1
827 334 79 PHE N N 123.044 0.068 1
828 335 80 GLY H H 6.775 0.006 1
829 335 80 GLY HA2 H 3.501 0.007 2
830 335 80 GLY HA3 H 4.356 0.009 2
831 335 80 GLY C C 169.408 0.008 1
832 335 80 GLY CA C 45.638 0.039 1
833 335 80 GLY N N 108.092 0.06 1
834 336 81 PHE H H 7.721 0.007 1
835 336 81 PHE HA H 4.575 0.017 1
836 336 81 PHE HB2 H 2.971 0.013 2
837 336 81 PHE HB3 H 3.115 0.021 2
838 336 81 PHE HD1 H 6.458 0.009 3
839 336 81 PHE HE1 H 6.386 0.006 3
840 336 81 PHE HZ H 6.363 0.007 1
841 336 81 PHE C C 172.222 0.002 1
842 336 81 PHE CA C 55.847 0.039 1
843 336 81 PHE CB C 40.83 0.036 1
844 336 81 PHE N N 110.249 0.035 1
845 337 82 ILE H H 8.939 0.007 1
846 337 82 ILE HA H 5.294 0.007 1
847 337 82 ILE HB H 1.983 0.01 1
848 337 82 ILE HG12 H 1.355 0.012 1
849 337 82 ILE HG13 H 1.867 0.006 1
850 337 82 ILE HG2 H 1.02 0.017 1
851 337 82 ILE HD1 H 1.126 0.01 1
852 337 82 ILE C C 176.201 0.004 1
853 337 82 ILE CA C 58.889 0.036 1
854 337 82 ILE CB C 40.763 0.04 1
855 337 82 ILE CG1 C 28.721 0.071 1
856 337 82 ILE CG2 C 17.117 0.062 1
857 337 82 ILE CD1 C 13.18 0.037 1
858 337 82 ILE N N 120.806 0.032 1
859 338 83 VAL H H 9.264 0.007 1
860 338 83 VAL HA H 4.985 0.01 1
861 338 83 VAL HB H 1.791 0.014 1
862 338 83 VAL HG1 H 0.889 0.006 1
863 338 83 VAL HG2 H 0.907 0.009 1
864 338 83 VAL C C 174.51 0.008 1
865 338 83 VAL CA C 59.648 0.043 1
866 338 83 VAL CB C 35.052 0.068 1
867 338 83 VAL CG1 C 24.474 0.089 1
868 338 83 VAL CG2 C 23.102 0.059 1
869 338 83 VAL N N 125.556 0.031 1
870 339 84 ASN H H 9.073 0.007 1
871 339 84 ASN HA H 5.483 0.005 1
872 339 84 ASN HB2 H 2.581 0.007 2
873 339 84 ASN HB3 H 2.851 0.006 2
874 339 84 ASN HD21 H 6.839 0.007 2
875 339 84 ASN HD22 H 7.514 0.013 2
876 339 84 ASN C C 174.715 0.011 1
877 339 84 ASN CA C 52.177 0.05 1
878 339 84 ASN CB C 41.634 0.06 1
879 339 84 ASN CG C 176.409 0.013 1
880 339 84 ASN N N 123.95 0.065 1
881 339 84 ASN ND2 N 111.424 0.224 1
882 340 85 GLY H H 8.046 0.006 1
883 340 85 GLY HA2 H 3.844 0.01 2
884 340 85 GLY HA3 H 4.084 0.008 2
885 340 85 GLY C C 168.646 0.08 1
886 340 85 GLY CA C 46.426 0.045 1
887 340 85 GLY N N 107.714 0.045 1
888 341 86 PRO HA H 4.387 0.009 1
889 341 86 PRO HB2 H 1.788 0.033 2
890 341 86 PRO HB3 H 2.284 0.1 2
891 341 86 PRO HG2 H 1.878 0.006 2
892 341 86 PRO HG3 H 2.042 0.009 2
893 341 86 PRO HD2 H 3.194 0.02 2
894 341 86 PRO HD3 H 3.316 0.019 2
895 341 86 PRO C C 175.421 0.002 1
896 341 86 PRO CA C 61.958 0.09 1
897 341 86 PRO CB C 32.488 0.063 1
898 341 86 PRO CG C 27.189 0.077 1
899 341 86 PRO CD C 49.499 0.046 1
900 342 87 GLN H H 8.051 0.01 1
901 342 87 GLN HA H 3.998 0.01 1
902 342 87 GLN HB2 H 1.91 0.01 2
903 342 87 GLN HG2 H 2.305 0.016 2
904 342 87 GLN HG3 H 2.366 0.01 2
905 342 87 GLN HE21 H 6.81 0.006 2
906 342 87 GLN HE22 H 7.48 0.008 2
907 342 87 GLN C C 176.114 0.08 1
908 342 87 GLN CA C 57.49 0.05 1
909 342 87 GLN CB C 28.685 0.053 1
910 342 87 GLN CG C 33.734 0.045 1
911 342 87 GLN CD C 180.196 0.009 1
912 342 87 GLN N N 119.085 0.069 1
913 342 87 GLN NE2 N 111.153 0.22 1
914 343 88 GLY H H 8.673 0.006 1
915 343 88 GLY HA2 H 3.541 0.006 2
916 343 88 GLY HA3 H 4.356 0.004 2
917 343 88 GLY C C 173.235 0.002 1
918 343 88 GLY CA C 42.654 0.062 1
919 343 88 GLY N N 112.1 0.026 1
920 344 89 ASP H H 8.11 0.01 1
921 344 89 ASP HA H 4.381 0.009 1
922 344 89 ASP HB2 H 2.461 0.032 2
923 344 89 ASP HB3 H 2.508 0.014 2
924 344 89 ASP C C 179.229 0.002 1
925 344 89 ASP CA C 55.577 0.054 1
926 344 89 ASP CB C 40.228 0.025 1
927 344 89 ASP N N 117.754 0.043 1
928 345 90 LYS H H 8.45 0.006 1
929 345 90 LYS HA H 3.985 0.007 1
930 345 90 LYS HB2 H 1.672 0.01 2
931 345 90 LYS HB3 H 1.857 0.019 2
932 345 90 LYS HG2 H 1.27 0.017 2
933 345 90 LYS HG3 H 1.467 0.008 2
934 345 90 LYS HD2 H 1.032 0.01 2
935 345 90 LYS HD3 H 1.344 0.01 2
936 345 90 LYS HE2 H 2.588 0.009 2
937 345 90 LYS C C 174.7 0.004 1
938 345 90 LYS CA C 57.191 0.051 1
939 345 90 LYS CB C 32.774 0.107 1
940 345 90 LYS CG C 25.205 0.047 1
941 345 90 LYS CD C 28.515 0.072 1
942 345 90 LYS CE C 41.956 0.105 1
943 345 90 LYS N N 122.372 0.045 1
944 346 91 VAL H H 7.06 0.007 1
945 346 91 VAL HA H 4.201 0.007 1
946 346 91 VAL HB H 1.607 0.006 1
947 346 91 VAL HG1 H 0.623 0.005 1
948 346 91 VAL HG2 H 0.196 0.009 1
949 346 91 VAL C C 175.251 0.003 1
950 346 91 VAL CA C 60.648 0.065 1
951 346 91 VAL CB C 35.439 0.081 1
952 346 91 VAL CG1 C 22.551 0.115 1
953 346 91 VAL CG2 C 21.728 0.061 1
954 346 91 VAL N N 116.115 0.047 1
955 347 92 GLU H H 8.838 0.007 1
956 347 92 GLU HA H 4.295 0.008 1
957 347 92 GLU HB2 H 1.496 0.005 2
958 347 92 GLU HB3 H 1.969 0.015 2
959 347 92 GLU HG2 H 1.957 0.002 2
960 347 92 GLU HG3 H 2.077 0.007 2
961 347 92 GLU C C 176.135 0.011 1
962 347 92 GLU CA C 56.98 0.044 1
963 347 92 GLU CB C 31.384 0.108 1
964 347 92 GLU CG C 35.369 0.078 1
965 347 92 GLU N N 123.918 0.041 1
966 348 93 GLU H H 7.221 0.007 1
967 348 93 GLU HA H 4.611 0.008 1
968 348 93 GLU HB2 H 1.949 0.009 2
969 348 93 GLU HG2 H 2.138 0.01 2
970 348 93 GLU C C 173.802 0.002 1
971 348 93 GLU CA C 55.938 0.066 1
972 348 93 GLU CB C 34.013 0.098 1
973 348 93 GLU CG C 36.096 0.077 1
974 348 93 GLU N N 116.549 0.019 1
975 349 94 ILE H H 8.433 0.009 1
976 349 94 ILE HA H 4.975 0.006 1
977 349 94 ILE HB H 1.605 0.012 1
978 349 94 ILE HG12 H 0.879 0.013 1
979 349 94 ILE HG13 H 1.551 0.006 1
980 349 94 ILE HG2 H 0.747 0.007 1
981 349 94 ILE HD1 H 0.788 0.006 1
982 349 94 ILE C C 174.444 0.004 1
983 349 94 ILE CA C 61.358 0.064 1
984 349 94 ILE CB C 40.812 0.091 1
985 349 94 ILE CG1 C 28.689 0.103 1
986 349 94 ILE CG2 C 17.441 0.095 1
987 349 94 ILE CD1 C 13.983 0.044 1
988 349 94 ILE N N 124.711 0.028 1
989 350 95 THR H H 8.931 0.006 1
990 350 95 THR HA H 4.657 0.017 1
991 350 95 THR HB H 3.943 0.021 1
992 350 95 THR HG2 H 1.117 0.01 1
993 350 95 THR C C 172.039 0.011 1
994 350 95 THR CA C 60.385 0.137 1
995 350 95 THR CB C 72.338 0.228 1
996 350 95 THR CG2 C 22.577 0.058 1
997 350 95 THR N N 120.004 0.095 1
998 351 96 LEU H H 8.858 0.009 1
999 351 96 LEU HA H 5.057 0.007 1
1000 351 96 LEU HB2 H 1.19 0.009 2
1001 351 96 LEU HB3 H 1.906 0.01 2
1002 351 96 LEU HG H 1.286 0.015 1
1003 351 96 LEU HD1 H 0.875 0.006 1
1004 351 96 LEU HD2 H 0.637 0.009 1
1005 351 96 LEU C C 174.035 0.009 1
1006 351 96 LEU CA C 53.704 0.057 1
1007 351 96 LEU CB C 44.823 0.086 1
1008 351 96 LEU CG C 27.919 0.07 1
1009 351 96 LEU CD1 C 24.174 0.072 1
1010 351 96 LEU CD2 C 26.258 0.088 1
1011 351 96 LEU N N 126.455 0.075 1
1012 352 97 GLU H H 9.21 0.007 1
1013 352 97 GLU HA H 5.055 0.007 1
1014 352 97 GLU HB2 H 1.696 0.006 2
1015 352 97 GLU HG2 H 1.927 0.006 2
1016 352 97 GLU C C 175.427 0.005 1
1017 352 97 GLU CA C 54.444 0.042 1
1018 352 97 GLU CB C 33.273 0.051 1
1019 352 97 GLU CG C 35.931 0.084 1
1020 352 97 GLU N N 125.531 0.038 1
1021 353 98 ILE H H 8.465 0.006 1
1022 353 98 ILE HA H 4.219 0.009 1
1023 353 98 ILE HB H 1.493 0.008 1
1024 353 98 ILE HG12 H 0.858 0.018 1
1025 353 98 ILE HG13 H 1.335 0.012 1
1026 353 98 ILE HG2 H 0.549 0.013 1
1027 353 98 ILE HD1 H 0.488 0.016 1
1028 353 98 ILE C C 175.743 0.011 1
1029 353 98 ILE CA C 60.536 0.054 1
1030 353 98 ILE CB C 40.283 0.073 1
1031 353 98 ILE CG1 C 27.471 0.1 1
1032 353 98 ILE CG2 C 18.143 0.072 1
1033 353 98 ILE CD1 C 13.293 0.028 1
1034 353 98 ILE N N 121.257 0.031 1
1035 354 99 ASN H H 9.068 0.01 1
1036 354 99 ASN HA H 4.509 0.005 1
1037 354 99 ASN HB2 H 2.721 0.006 2
1038 354 99 ASN HB3 H 3.012 0.004 2
1039 354 99 ASN HD21 H 6.929 0.007 2
1040 354 99 ASN HD22 H 7.587 0.007 2
1041 354 99 ASN C C 175.394 0.004 1
1042 354 99 ASN CA C 53.797 0.085 1
1043 354 99 ASN CB C 37.747 0.09 1
1044 354 99 ASN CG C 177.486 0.005 1
1045 354 99 ASN N N 125.4 0.054 1
1046 354 99 ASN ND2 N 111.953 0.25 1
1047 355 100 GLY H H 8.565 0.01 1
1048 355 100 GLY HA2 H 3.72 0.006 2
1049 355 100 GLY HA3 H 3.994 0.01 2
1050 355 100 GLY C C 173.382 0.004 1
1051 355 100 GLY CA C 45.284 0.11 1
1052 355 100 GLY N N 105.309 0.058 1
1053 356 101 GLN H H 7.906 0.006 1
1054 356 101 GLN HA H 4.465 0.004 1
1055 356 101 GLN HB2 H 1.914 0.01 2
1056 356 101 GLN HB3 H 2.028 0.008 2
1057 356 101 GLN HG2 H 2.237 0.005 2
1058 356 101 GLN HE21 H 6.821 0.006 2
1059 356 101 GLN HE22 H 7.464 0.007 2
1060 356 101 GLN C C 174.827 0.001 1
1061 356 101 GLN CA C 54.45 0.052 1
1062 356 101 GLN CB C 30.56 0.091 1
1063 356 101 GLN CG C 33.551 0.087 1
1064 356 101 GLN CD C 180.431 0.016 1
1065 356 101 GLN N N 120.079 0.028 1
1066 356 101 GLN NE2 N 111.888 0.265 1
1067 357 102 VAL H H 8.274 0.009 1
1068 357 102 VAL HA H 4.224 0.006 1
1069 357 102 VAL HB H 1.92 0.004 1
1070 357 102 VAL HG1 H 0.911 0.016 1
1071 357 102 VAL HG2 H 0.894 0.005 1
1072 357 102 VAL C C 175.549 0.003 1
1073 357 102 VAL CA C 62.865 0.087 1
1074 357 102 VAL CB C 32.241 0.048 1
1075 357 102 VAL CG1 C 21.217 0.153 1
1076 357 102 VAL CG2 C 21.499 0.073 1
1077 357 102 VAL N N 124.369 0.033 1
1078 358 103 ILE H H 8.113 0.008 1
1079 358 103 ILE HA H 4.052 0.005 1
1080 358 103 ILE HB H 1.72 0.007 1
1081 358 103 ILE HG12 H 1.168 0.007 1
1082 358 103 ILE HG13 H 1.215 0.005 1
1083 358 103 ILE HG2 H 0.796 0.005 1
1084 358 103 ILE HD1 H 0.651 0.006 1
1085 358 103 ILE C C 180.783 0.08 1
1086 358 103 ILE CA C 61.903 0.028 1
1087 358 103 ILE CB C 38.778 0.068 1
1088 358 103 ILE CG1 C 27.358 0.06 1
1089 358 103 ILE CG2 C 17.967 0.056 1
1090 358 103 ILE CD1 C 12.213 0.036 1
1091 358 103 ILE N N 132.142 0.059 1
stop_
save_