data_5018
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of the Tumor Necrosis Factor Receptor-1 Death Domain
;
_BMRB_accession_number 5018
_BMRB_flat_file_name bmr5018.str
_Entry_type original
_Submission_date 2001-05-21
_Accession_date 2001-05-21
_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 Sukits S. F. .
2 Lin L.-L. . .
3 Hsu S. . .
4 Malakian K. . .
5 Powers R. . .
6 Xu G.-Y. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 471
"13C chemical shifts" 431
"15N chemical shifts" 98
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2002-05-09 original author .
stop_
_Original_release_date 2002-05-09
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structure of the Tumor Necrosis Factor Receptor-1 Death Domain'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 21348196
_PubMed_ID 11453696
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sukits S. F. .
2 Lin L.-L. . .
3 Hsu S. . .
4 Malakian K. . .
5 Powers R. . .
6 Xu G.-Y. . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 310
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 895
_Page_last 906
_Year 2001
_Details .
loop_
_Keyword
'death domain'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_TNFR-1
_Saveframe_category molecular_system
_Mol_system_name 'TUMOR NECROSIS FACTOR RECEPTOR-1'
_Abbreviation_common TNFR-1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'TUMOR NECROSIS FACTOR RECEPTOR-1' $TNFR-1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_TNFR-1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Tumor Necrosis Factor Receptor-1'
_Abbreviation_common TNFR-1
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 112
_Mol_residue_sequence
;
MAHKPQSLDTDDPATLYAVV
ENVPPLRWKEFVKRLGLSDH
EIDRLELQNGRCLREAQYSM
LATWRRRTPRREATLELLGR
VLRDMDLLGCLEDIEEALCG
PAALPPAPSLLR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 315 MET 2 316 ALA 3 317 HIS 4 318 LYS 5 319 PRO
6 320 GLN 7 321 SER 8 322 LEU 9 323 ASP 10 324 THR
11 325 ASP 12 326 ASP 13 327 PRO 14 328 ALA 15 329 THR
16 330 LEU 17 331 TYR 18 332 ALA 19 333 VAL 20 334 VAL
21 335 GLU 22 336 ASN 23 337 VAL 24 338 PRO 25 339 PRO
26 340 LEU 27 341 ARG 28 342 TRP 29 343 LYS 30 344 GLU
31 345 PHE 32 346 VAL 33 347 LYS 34 348 ARG 35 349 LEU
36 350 GLY 37 351 LEU 38 352 SER 39 353 ASP 40 354 HIS
41 355 GLU 42 356 ILE 43 357 ASP 44 358 ARG 45 359 LEU
46 360 GLU 47 361 LEU 48 362 GLN 49 363 ASN 50 364 GLY
51 365 ARG 52 366 CYS 53 367 LEU 54 368 ARG 55 369 GLU
56 370 ALA 57 371 GLN 58 372 TYR 59 373 SER 60 374 MET
61 375 LEU 62 376 ALA 63 377 THR 64 378 TRP 65 379 ARG
66 380 ARG 67 381 ARG 68 382 THR 69 383 PRO 70 384 ARG
71 385 ARG 72 386 GLU 73 387 ALA 74 388 THR 75 389 LEU
76 390 GLU 77 391 LEU 78 392 LEU 79 393 GLY 80 394 ARG
81 395 VAL 82 396 LEU 83 397 ARG 84 398 ASP 85 399 MET
86 400 ASP 87 401 LEU 88 402 LEU 89 403 GLY 90 404 CYS
91 405 LEU 92 406 GLU 93 407 ASP 94 408 ILE 95 409 GLU
96 410 GLU 97 411 ALA 98 412 LEU 99 413 CYS 100 414 GLY
101 415 PRO 102 416 ALA 103 417 ALA 104 418 LEU 105 419 PRO
106 420 PRO 107 421 ALA 108 422 PRO 109 423 SER 110 424 LEU
111 425 LEU 112 426 ARG
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 1ICH "Solution Structure Of The Tumor Necrosis Factor Receptor-1 Death Domain" 100.00 112 100.00 100.00 3.84e-73
DBJ BAF83777 "unnamed protein product [Homo sapiens]" 99.11 455 98.20 99.10 1.37e-67
DBJ BAG37891 "unnamed protein product [Homo sapiens]" 99.11 455 99.10 100.00 9.68e-69
DBJ BAG51763 "unnamed protein product [Homo sapiens]" 99.11 459 99.10 100.00 1.21e-68
DBJ BAG60879 "unnamed protein product [Homo sapiens]" 99.11 347 99.10 100.00 5.70e-70
DBJ BAG65321 "unnamed protein product [Homo sapiens]" 99.11 223 99.10 100.00 2.98e-71
EMBL CAA39021 "tumor necrosis factor receptor type 1 [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
GB AAA03210 "tumor necrosis factor receptor [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
GB AAA36753 "tumor necrosis factor receptor [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
GB AAA36754 "tumor necrosis factor receptor [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
GB AAA36756 "TNF receptor [Homo sapiens]" 84.82 453 97.89 98.95 4.92e-54
GB AAA61201 "tumor necrosis factor receptor 1 [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
REF NP_001056 "tumor necrosis factor receptor superfamily member 1A precursor [Homo sapiens]" 99.11 455 99.10 100.00 9.89e-69
REF XP_002822854 "PREDICTED: LOW QUALITY PROTEIN: tumor necrosis factor receptor superfamily member 1A [Pongo abelii]" 98.21 455 97.27 98.18 1.33e-66
REF XP_004052596 "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Gorilla gorilla gorilla]" 99.11 455 98.20 99.10 6.09e-68
REF XP_007965520 "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Chlorocebus sabaeus]" 99.11 455 97.30 98.20 1.16e-67
REF XP_008971992 "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Pan paniscus]" 99.11 455 99.10 100.00 1.05e-68
SP P19438 "RecName: Full=Tumor necrosis factor receptor superfamily member 1A; AltName: Full=Tumor necrosis factor receptor 1; Short=TNF-R" 99.11 455 99.10 100.00 9.89e-69
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$TNFR-1 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$TNFR-1 'recombinant technology' 'Escherichia coli' Escherichia 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
$TNFR-1 1 mM .
'sodium acetate' 10 mM .
DTT 10 mM .
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 9.8
loop_
_Task
'structure solution'
stop_
_Details 'Badger, J., Kumar, R.A., Yip, P.'
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 1.8
loop_
_Task
processing
stop_
_Details 'Delaglio, F., 2000'
save_
save_pipp
_Saveframe_category software
_Name pipp
_Version 4.2.2
loop_
_Task
'data analysis'
stop_
_Details 'Garrett, D., 1998'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UNITYplus
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label .
save_
save_4D_13C-separated_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-separated NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 4.0 . n/a
temperature 308 . K
'ionic strength' 10 . mM
pressure 1 . atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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
. H 1 . ppm . . . . . .
. N 15 . ppm . . . . . .
. C 13 . ppm . . . . . .
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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'TUMOR NECROSIS FACTOR RECEPTOR-1'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 1 MET CE C 24.1900 . .
2 . 1 MET HE H 2.1500 . .
3 . 5 PRO C C 173.9900 . .
4 . 5 PRO CA C 63.3000 . .
5 . 5 PRO CB C 32.1500 . .
6 . 5 PRO CG C 27.4900 . .
7 . 5 PRO CD C 50.7100 . .
8 . 5 PRO HA H 4.5500 . .
9 . 5 PRO HB2 H 2.4100 . .
10 . 5 PRO HB3 H 2.0500 . .
11 . 5 PRO HG2 H 2.1600 . .
12 . 5 PRO HD2 H 3.9400 . .
13 . 5 PRO HD3 H 3.7600 . .
14 . 6 GLN H H 8.6144 . .
15 . 6 GLN N N 120.9462 . .
16 . 6 GLN C C 175.9000 . .
17 . 6 GLN CA C 56.0600 . .
18 . 6 GLN CB C 29.7800 . .
19 . 6 GLN CG C 34.0273 . .
20 . 6 GLN HA H 4.4600 . .
21 . 6 GLN HB2 H 2.2300 . .
22 . 6 GLN HB3 H 2.1300 . .
23 . 6 GLN HG2 H 2.4400 . .
24 . 7 SER H H 8.3864 . .
25 . 7 SER N N 116.9919 . .
26 . 7 SER C C 174.3500 . .
27 . 7 SER CA C 58.1900 . .
28 . 7 SER CB C 63.9900 . .
29 . 7 SER HA H 4.5900 . .
30 . 7 SER HB2 H 3.9900 . .
31 . 8 LEU H H 8.4204 . .
32 . 8 LEU N N 123.7619 . .
33 . 8 LEU C C 176.7400 . .
34 . 8 LEU CA C 55.2400 . .
35 . 8 LEU CB C 42.6400 . .
36 . 8 LEU CG C 27.2400 . .
37 . 8 LEU CD1 C 25.3600 . .
38 . 8 LEU CD2 C 23.7100 . .
39 . 8 LEU HA H 4.5300 . .
40 . 8 LEU HB2 H 1.7400 . .
41 . 8 LEU HD1 H 1.0000 . .
42 . 9 ASP H H 8.5611 . .
43 . 9 ASP N N 121.1813 . .
44 . 9 ASP C C 176.5100 . .
45 . 9 ASP CA C 54.3200 . .
46 . 9 ASP CB C 40.9500 . .
47 . 9 ASP HA H 4.8200 . .
48 . 9 ASP HB2 H 2.9100 . .
49 . 9 ASP HB3 H 2.8300 . .
50 . 10 THR H H 8.1469 . .
51 . 10 THR N N 113.6735 . .
52 . 10 THR C C 174.3500 . .
53 . 10 THR CA C 62.3800 . .
54 . 10 THR CB C 69.5400 . .
55 . 10 THR CG2 C 21.8169 . .
56 . 10 THR HA H 4.4100 . .
57 . 10 THR HB H 4.4000 . .
58 . 10 THR HG2 H 1.3400 . .
59 . 11 ASP H H 8.4696 . .
60 . 11 ASP N N 121.6668 . .
61 . 11 ASP C C 175.5500 . .
62 . 11 ASP CA C 54.2100 . .
63 . 11 ASP CB C 41.0200 . .
64 . 11 ASP HA H 4.8400 . .
65 . 11 ASP HB2 H 2.9100 . .
66 . 11 ASP HB3 H 2.8300 . .
67 . 12 ASP H H 8.4174 . .
68 . 12 ASP N N 121.1375 . .
69 . 12 ASP CA C 54.4600 . .
70 . 12 ASP CB C 40.8600 . .
71 . 13 PRO CA C 66.3100 . .
72 . 13 PRO CB C 31.8200 . .
73 . 13 PRO CG C 28.0100 . .
74 . 13 PRO HA H 4.6000 . .
75 . 13 PRO HB2 H 2.3400 . .
76 . 13 PRO HB3 H 2.1800 . .
77 . 13 PRO HG2 H 2.6300 . .
78 . 14 ALA H H 8.3459 . .
79 . 14 ALA N N 118.6001 . .
80 . 14 ALA C C 181.0100 . .
81 . 14 ALA CA C 55.3921 . .
82 . 14 ALA CB C 18.5744 . .
83 . 14 ALA HA H 4.3800 . .
84 . 14 ALA HB H 1.6300 . .
85 . 15 THR H H 8.0048 . .
86 . 15 THR N N 115.3548 . .
87 . 15 THR C C 175.5300 . .
88 . 15 THR CA C 66.4800 . .
89 . 15 THR CB C 68.4700 . .
90 . 15 THR CG2 C 21.8700 . .
91 . 15 THR HA H 4.1300 . .
92 . 15 THR HB H 4.4800 . .
93 . 15 THR HG2 H 1.2900 . .
94 . 16 LEU H H 8.1337 . .
95 . 16 LEU N N 118.7904 . .
96 . 16 LEU C C 179.7500 . .
97 . 16 LEU CA C 58.4000 . .
98 . 16 LEU CB C 40.3000 . .
99 . 16 LEU CD1 C 24.500 . .
100 . 16 LEU HA H 4.1300 . .
101 . 16 LEU HB2 H 2.2000 . .
102 . 16 LEU HB3 H 1.4000 . .
103 . 16 LEU HD1 H 0.9200 . .
104 . 17 TYR H H 8.8587 . .
105 . 17 TYR N N 118.0851 . .
106 . 17 TYR C C 177.8700 . .
107 . 17 TYR CA C 63.3100 . .
108 . 17 TYR CB C 37.7500 . .
109 . 17 TYR CD1 C 132.3300 . .
110 . 17 TYR CE1 C 117.9900 . .
111 . 17 TYR HA H 4.3800 . .
112 . 17 TYR HB2 H 3.1200 . .
113 . 17 TYR HB3 H 3.0700 . .
114 . 17 TYR HD1 H 7.0200 . .
115 . 17 TYR HE1 H 6.4700 . .
116 . 18 ALA H H 7.9654 . .
117 . 18 ALA N N 120.8835 . .
118 . 18 ALA C C 180.3700 . .
119 . 18 ALA CA C 55.1700 . .
120 . 18 ALA CB C 18.2400 . .
121 . 18 ALA HA H 4.2700 . .
122 . 18 ALA HB H 1.6800 . .
123 . 19 VAL H H 7.9255 . .
124 . 19 VAL N N 119.0532 . .
125 . 19 VAL C C 177.6100 . .
126 . 19 VAL CA C 66.7370 . .
127 . 19 VAL CB C 31.2381 . .
128 . 19 VAL CG1 C 22.7891 . .
129 . 19 VAL CG2 C 23.6340 . .
130 . 19 VAL HA H 3.6700 . .
131 . 19 VAL HB H 2.6200 . .
132 . 19 VAL HG1 H 1.1900 . .
133 . 19 VAL HG2 H 0.8900 . .
134 . 20 VAL H H 8.0585 . .
135 . 20 VAL N N 118.6518 . .
136 . 20 VAL C C 177.1000 . .
137 . 20 VAL CA C 66.4300 . .
138 . 20 VAL CB C 31.7800 . .
139 . 20 VAL CG1 C 22.8104 . .
140 . 20 VAL CG2 C 21.8428 . .
141 . 20 VAL HA H 3.6100 . .
142 . 20 VAL HB H 2.4100 . .
143 . 20 VAL HG1 H 1.1400 . .
144 . 20 VAL HG2 H 0.9200 . .
145 . 21 GLU H H 7.9853 . .
146 . 21 GLU N N 113.2346 . .
147 . 21 GLU C C 177.0200 . .
148 . 21 GLU CA C 57.7800 . .
149 . 21 GLU CB C 29.7100 . .
150 . 21 GLU CG C 34.9567 . .
151 . 21 GLU HA H 4.1200 . .
152 . 21 GLU HB2 H 2.1200 . .
153 . 21 GLU HG2 H 2.5100 . .
154 . 21 GLU HG3 H 2.4300 . .
155 . 22 ASN H H 7.5004 . .
156 . 22 ASN N N 114.7848 . .
157 . 22 ASN C C 174.5100 . .
158 . 22 ASN CA C 55.1500 . .
159 . 22 ASN CB C 42.8900 . .
160 . 22 ASN HA H 4.9600 . .
161 . 22 ASN HB2 H 2.8000 . .
162 . 22 ASN HB3 H 2.6200 . .
163 . 22 ASN HD21 H 8.4000 . .
164 . 22 ASN HD22 H 7.2600 . .
165 . 23 VAL H H 7.6736 . .
166 . 23 VAL N N 122.9719 . .
167 . 23 VAL CA C 61.5500 . .
168 . 23 VAL CB C 33.0000 . .
169 . 23 VAL CG1 C 22.7200 . .
170 . 23 VAL CG2 C 19.7500 . .
171 . 23 VAL HA H 4.3500 . .
172 . 23 VAL HB H 2.1400 . .
173 . 23 VAL HG1 H 0.5500 . .
174 . 23 VAL HG2 H 0.7200 . .
175 . 24 PRO CG C 28.0000 . .
176 . 24 PRO CD C 51.6200 . .
177 . 24 PRO HG2 H 2.1800 . .
178 . 24 PRO HG3 H 1.8700 . .
179 . 24 PRO HD2 H 4.3300 . .
180 . 24 PRO HD3 H 3.4400 . .
181 . 25 PRO C C 179.7500 . .
182 . 25 PRO CA C 65.9300 . .
183 . 25 PRO CB C 32.1800 . .
184 . 25 PRO CG C 27.6600 . .
185 . 25 PRO CD C 51.0600 . .
186 . 25 PRO HA H 4.3800 . .
187 . 25 PRO HB2 H 2.5000 . .
188 . 25 PRO HB3 H 2.1000 . .
189 . 25 PRO HG2 H 2.2200 . .
190 . 25 PRO HG3 H 2.1700 . .
191 . 25 PRO HD2 H 4.0500 . .
192 . 26 LEU H H 8.7404 . .
193 . 26 LEU N N 116.8504 . .
194 . 26 LEU C C 178.3100 . .
195 . 26 LEU CA C 57.1600 . .
196 . 26 LEU CB C 41.6900 . .
197 . 26 LEU CG C 27.4632 . .
198 . 26 LEU CD1 C 24.8582 . .
199 . 26 LEU CD2 C 23.2724 . .
200 . 26 LEU HA H 4.4300 . .
201 . 26 LEU HB2 H 1.9000 . .
202 . 26 LEU HB3 H 1.7500 . .
203 . 26 LEU HD1 H 1.0800 . .
204 . 27 ARG H H 8.1658 . .
205 . 27 ARG N N 114.7242 . .
206 . 27 ARG C C 175.8300 . .
207 . 27 ARG CA C 53.4360 . .
208 . 27 ARG CB C 29.2240 . .
209 . 27 ARG CG C 25.9672 . .
210 . 27 ARG CD C 41.1771 . .
211 . 27 ARG HA H 4.9300 . .
212 . 27 ARG HB2 H 2.2700 . .
213 . 27 ARG HB3 H 1.6200 . .
214 . 27 ARG HG2 H 1.9000 . .
215 . 27 ARG HD2 H 3.3400 . .
216 . 28 TRP H H 7.6984 . .
217 . 28 TRP N N 120.9029 . .
218 . 28 TRP C C 176.1500 . .
219 . 28 TRP CA C 61.2700 . .
220 . 28 TRP CB C 30.0200 . .
221 . 28 TRP CD1 C 126.3900 . .
222 . 28 TRP NE1 N 127.800 . .
223 . 28 TRP CZ2 C 114.6600 . .
224 . 28 TRP CE3 C 121.1100 . .
225 . 28 TRP CZ3 C 121.7000 . .
226 . 28 TRP CH2 C 124.100 . .
227 . 28 TRP HA H 4.1900 . .
228 . 28 TRP HB2 H 3.5000 . .
229 . 28 TRP HB3 H 3.4400 . .
230 . 28 TRP HD1 H 7.2300 . .
231 . 28 TRP HE1 H 9.6100 . .
232 . 28 TRP HZ2 H 7.6800 . .
233 . 28 TRP HH2 H 7.1100 . .
234 . 28 TRP HZ3 H 6.9300 . .
235 . 28 TRP HE3 H 7.4300 . .
236 . 29 LYS H H 8.7774 . .
237 . 29 LYS N N 117.5254 . .
238 . 29 LYS C C 177.7000 . .
239 . 29 LYS CA C 60.6800 . .
240 . 29 LYS CB C 31.5200 . .
241 . 29 LYS CG C 26.5108 . .
242 . 29 LYS CD C 29.5949 . .
243 . 29 LYS CE C 42.2490 . .
244 . 29 LYS HA H 3.8700 . .
245 . 29 LYS HB2 H 1.9900 . .
246 . 29 LYS HB3 H 1.9000 . .
247 . 29 LYS HG2 H 1.6900 . .
248 . 29 LYS HG3 H 1.4600 . .
249 . 29 LYS HE2 H 3.0700 . .
250 . 30 GLU H H 8.0755 . .
251 . 30 GLU N N 119.0414 . .
252 . 30 GLU C C 177.6200 . .
253 . 30 GLU CA C 59.0400 . .
254 . 30 GLU CB C 29.2700 . .
255 . 30 GLU CG C 35.9700 . .
256 . 30 GLU HA H 3.9100 . .
257 . 30 GLU HB2 H 2.1900 . .
258 . 30 GLU HB3 H 2.1000 . .
259 . 30 GLU HG2 H 2.6300 . .
260 . 31 PHE H H 7.9800 . .
261 . 31 PHE N N 119.8700 . .
262 . 31 PHE C C 175.9400 . .
263 . 31 PHE CA C 60.5900 . .
264 . 31 PHE CB C 38.9600 . .
265 . 31 PHE CD1 C 131.8700 . .
266 . 31 PHE CE1 C 129.2200 . .
267 . 31 PHE HA H 4.2700 . .
268 . 31 PHE HB2 H 3.0600 . .
269 . 31 PHE HB3 H 2.7500 . .
270 . 31 PHE HD2 H 6.5100 . .
271 . 31 PHE HE1 H 6.7600 . .
272 . 32 VAL H H 7.9615 . .
273 . 32 VAL N N 110.2782 . .
274 . 32 VAL C C 178.7700 . .
275 . 32 VAL CA C 65.0100 . .
276 . 32 VAL CB C 30.7500 . .
277 . 32 VAL CG1 C 24.0098 . .
278 . 32 VAL CG2 C 20.1400 . .
279 . 32 VAL HA H 3.2800 . .
280 . 32 VAL HB H 1.9100 . .
281 . 32 VAL HG1 H 0.4400 . .
282 . 32 VAL HG2 H 0.9200 . .
283 . 33 LYS H H 8.1823 . .
284 . 33 LYS N N 123.1667 . .
285 . 33 LYS C C 181.8300 . .
286 . 33 LYS CA C 59.1500 . .
287 . 33 LYS CB C 31.1100 . .
288 . 33 LYS CG C 25.2160 . .
289 . 33 LYS HA H 4.4400 . .
290 . 33 LYS HB2 H 1.9300 . .
291 . 34 ARG H H 8.2485 . .
292 . 34 ARG N N 122.1484 . .
293 . 34 ARG C C 178.6400 . .
294 . 34 ARG CA C 59.2200 . .
295 . 34 ARG CB C 30.2300 . .
296 . 34 ARG CG C 29.7372 . .
297 . 34 ARG CD C 43.6028 . .
298 . 34 ARG HA H 4.0500 . .
299 . 34 ARG HB2 H 2.0000 . .
300 . 34 ARG HG2 H 1.7900 . .
301 . 34 ARG HD2 H 3.3400 . .
302 . 35 LEU H H 7.2921 . .
303 . 35 LEU N N 118.1863 . .
304 . 35 LEU C C 177.2200 . .
305 . 35 LEU CA C 55.4300 . .
306 . 35 LEU CB C 40.7200 . .
307 . 35 LEU CD1 C 24.2263 . .
308 . 35 LEU CD2 C 21.3139 . .
309 . 35 LEU HA H 3.9300 . .
310 . 35 LEU HB2 H 1.3000 . .
311 . 35 LEU HB3 H 0.9000 . .
312 . 35 LEU HD1 H -0.6100 . .
313 . 35 LEU HD2 H -0.2300 . .
314 . 36 GLY H H 7.5918 . .
315 . 36 GLY N N 104.6244 . .
316 . 36 GLY C C 175.0500 . .
317 . 36 GLY CA C 45.1600 . .
318 . 36 GLY HA2 H 4.4400 . .
319 . 36 GLY HA3 H 3.7500 . .
320 . 37 LEU H H 7.6841 . .
321 . 37 LEU N N 122.7480 . .
322 . 37 LEU C C 176.3200 . .
323 . 37 LEU CA C 55.7100 . .
324 . 37 LEU CB C 41.6600 . .
325 . 37 LEU CG C 29.4312 . .
326 . 37 LEU HA H 4.5400 . .
327 . 37 LEU HB2 H 1.5700 . .
328 . 37 LEU HB3 H 1.5000 . .
329 . 37 LEU HG H 1.7500 . .
330 . 37 LEU HD1 H 0.9200 . .
331 . 38 SER H H 8.9414 . .
332 . 38 SER N N 117.7875 . .
333 . 38 SER C C 175.1600 . .
334 . 38 SER CA C 56.7800 . .
335 . 38 SER CB C 65.6200 . .
336 . 38 SER HA H 4.6600 . .
337 . 38 SER HB2 H 4.4300 . .
338 . 38 SER HB3 H 4.1500 . .
339 . 39 ASP H H 8.9159 . .
340 . 39 ASP N N 121.4012 . .
341 . 39 ASP C C 177.9600 . .
342 . 39 ASP CA C 57.8900 . .
343 . 39 ASP CB C 40.2600 . .
344 . 39 ASP HA H 4.4300 . .
345 . 39 ASP HB2 H 2.7900 . .
346 . 39 ASP HB3 H 2.6600 . .
347 . 40 HIS H H 8.4946 . .
348 . 40 HIS N N 115.6163 . .
349 . 40 HIS C C 176.9500 . .
350 . 40 HIS CA C 58.2700 . .
351 . 40 HIS CB C 28.4200 . .
352 . 40 HIS HA H 4.6000 . .
353 . 40 HIS HB2 H 3.3500 . .
354 . 41 GLU H H 7.9458 . .
355 . 41 GLU N N 120.2751 . .
356 . 41 GLU C C 178.1000 . .
357 . 41 GLU CA C 59.1200 . .
358 . 41 GLU CB C 30.3100 . .
359 . 41 GLU CG C 37.1295 . .
360 . 41 GLU HA H 4.1900 . .
361 . 41 GLU HB2 H 2.0700 . .
362 . 41 GLU HG2 H 2.4600 . .
363 . 42 ILE H H 8.2187 . .
364 . 42 ILE N N 120.0780 . .
365 . 42 ILE C C 177.4900 . .
366 . 42 ILE CA C 65.7600 . .
367 . 42 ILE CB C 38.9000 . .
368 . 42 ILE CG1 C 29.3670 . .
369 . 42 ILE CG2 C 17.2280 . .
370 . 42 ILE CD1 C 14.7670 . .
371 . 42 ILE HA H 3.7200 . .
372 . 42 ILE HB H 2.0500 . .
373 . 42 ILE HG12 H 1.8600 . .
374 . 42 ILE HG13 H 1.0700 . .
375 . 42 ILE HG2 H 1.0700 . .
376 . 42 ILE HD1 H 0.8300 . .
377 . 43 ASP H H 8.2977 . .
378 . 43 ASP N N 118.7769 . .
379 . 43 ASP C C 178.2300 . .
380 . 43 ASP CA C 56.7900 . .
381 . 43 ASP CB C 40.0400 . .
382 . 43 ASP HA H 4.5000 . .
383 . 43 ASP HB2 H 2.8600 . .
384 . 44 ARG H H 7.9069 . .
385 . 44 ARG N N 119.0446 . .
386 . 44 ARG C C 178.4200 . .
387 . 44 ARG CA C 58.7400 . .
388 . 44 ARG CB C 30.1200 . .
389 . 44 ARG CG C 27.1097 . .
390 . 44 ARG CD C 43.3802 . .
391 . 44 ARG HA H 4.1800 . .
392 . 44 ARG HB2 H 1.9900 . .
393 . 44 ARG HG2 H 1.7300 . .
394 . 44 ARG HD2 H 3.2900 . .
395 . 45 LEU H H 8.1338 . .
396 . 45 LEU N N 119.9960 . .
397 . 45 LEU C C 179.2700 . .
398 . 45 LEU CA C 57.3500 . .
399 . 45 LEU CB C 41.8400 . .
400 . 45 LEU CG C 27.5686 . .
401 . 45 LEU CD1 C 26.0331 . .
402 . 45 LEU CD2 C 23.1049 . .
403 . 45 LEU HA H 4.2500 . .
404 . 45 LEU HB2 H 2.0200 . .
405 . 45 LEU HB3 H 1.6300 . .
406 . 45 LEU HD1 H 1.0000 . .
407 . 46 GLU H H 8.3874 . .
408 . 46 GLU N N 119.5421 . .
409 . 46 GLU C C 177.7500 . .
410 . 46 GLU CA C 58.7700 . .
411 . 46 GLU CB C 28.8700 . .
412 . 46 GLU CG C 35.0971 . .
413 . 46 GLU HB2 H 2.2600 . .
414 . 46 GLU HB3 H 2.1800 . .
415 . 46 GLU HG2 H 2.6300 . .
416 . 46 GLU HG3 H 2.3300 . .
417 . 47 LEU H H 7.9736 . .
418 . 47 LEU N N 120.1875 . .
419 . 47 LEU C C 179.0500 . .
420 . 47 LEU CA C 56.7900 . .
421 . 47 LEU CB C 42.1800 . .
422 . 47 LEU CG C 27.1178 . .
423 . 47 LEU CD1 C 24.9931 . .
424 . 47 LEU CD2 C 23.6835 . .
425 . 47 LEU HA H 4.3300 . .
426 . 47 LEU HB2 H 1.9000 . .
427 . 47 LEU HB3 H 1.8200 . .
428 . 47 LEU HD1 H 1.0100 . .
429 . 48 GLN H H 8.1774 . .
430 . 48 GLN N N 117.9315 . .
431 . 48 GLN C C 176.2400 . .
432 . 48 GLN CA C 57.0800 . .
433 . 48 GLN CB C 29.4400 . .
434 . 48 GLN CG C 34.0886 . .
435 . 48 GLN HA H 4.3300 . .
436 . 48 GLN HB2 H 2.2200 . .
437 . 48 GLN HG2 H 2.5800 . .
438 . 48 GLN HG3 H 2.5100 . .
439 . 49 ASN H H 7.9127 . .
440 . 49 ASN N N 117.3194 . .
441 . 49 ASN C C 175.5300 . .
442 . 49 ASN CA C 53.5100 . .
443 . 49 ASN CB C 39.9200 . .
444 . 49 ASN HA H 4.9800 . .
445 . 49 ASN HB2 H 3.0400 . .
446 . 49 ASN HB3 H 2.7700 . .
447 . 50 GLY H H 8.1239 . .
448 . 50 GLY N N 108.3031 . .
449 . 50 GLY C C 174.8100 . .
450 . 50 GLY CA C 46.9200 . .
451 . 50 GLY HA2 H 4.0000 . .
452 . 50 GLY HA3 H 4.0900 . .
453 . 51 ARG H H 8.3550 . .
454 . 51 ARG N N 119.9600 . .
455 . 51 ARG C C 176.4400 . .
456 . 51 ARG CA C 56.9500 . .
457 . 51 ARG CB C 30.2200 . .
458 . 51 ARG CG C 27.3282 . .
459 . 51 ARG CD C 43.4386 . .
460 . 51 ARG HA H 4.3800 . .
461 . 51 ARG HB2 H 2.0000 . .
462 . 51 ARG HG2 H 1.7900 . .
463 . 51 ARG HD2 H 3.3300 . .
464 . 52 CYS H H 8.1237 . .
465 . 52 CYS N N 119.2289 . .
466 . 52 CYS C C 174.7000 . .
467 . 52 CYS CA C 58.0900 . .
468 . 52 CYS CB C 27.5500 . .
469 . 52 CYS HA H 4.6800 . .
470 . 52 CYS HB2 H 3.1300 . .
471 . 53 LEU H H 8.4646 . .
472 . 53 LEU N N 128.1319 . .
473 . 53 LEU C C 178.0800 . .
474 . 53 LEU CA C 58.1300 . .
475 . 53 LEU CB C 41.6900 . .
476 . 53 LEU CG C 26.8594 . .
477 . 53 LEU CD1 C 24.9884 . .
478 . 53 LEU CD2 C 23.5420 . .
479 . 53 LEU HA H 4.2200 . .
480 . 53 LEU HB2 H 1.7600 . .
481 . 53 LEU HG H 1.5400 . .
482 . 53 LEU HD1 H 0.9400 . .
483 . 54 ARG H H 8.5166 . .
484 . 54 ARG N N 118.4773 . .
485 . 54 ARG C C 178.6400 . .
486 . 54 ARG CA C 59.3500 . .
487 . 54 ARG CB C 30.2600 . .
488 . 54 ARG CG C 27.6499 . .
489 . 54 ARG CD C 43.5297 . .
490 . 54 ARG HA H 4.2500 . .
491 . 54 ARG HB2 H 1.9800 . .
492 . 54 ARG HB3 H 1.7900 . .
493 . 54 ARG HD2 H 3.2200 . .
494 . 55 GLU H H 7.7049 . .
495 . 55 GLU N N 117.3624 . .
496 . 55 GLU C C 179.4100 . .
497 . 55 GLU CA C 58.8600 . .
498 . 55 GLU CB C 28.9300 . .
499 . 55 GLU CG C 36.0487 . .
500 . 55 GLU HA H 4.4800 . .
501 . 55 GLU HB2 H 2.2800 . .
502 . 55 GLU HG2 H 2.5700 . .
503 . 56 ALA H H 8.1199 . .
504 . 56 ALA N N 124.5046 . .
505 . 56 ALA C C 180.2500 . .
506 . 56 ALA CA C 55.4400 . .
507 . 56 ALA CB C 18.4500 . .
508 . 56 ALA HA H 4.2800 . .
509 . 56 ALA HB H 1.6600 . .
510 . 57 GLN H H 8.7930 . .
511 . 57 GLN N N 118.5987 . .
512 . 57 GLN C C 178.2500 . .
513 . 57 GLN CA C 60.1000 . .
514 . 57 GLN CB C 30.1600 . .
515 . 57 GLN CG C 34.5304 . .
516 . 57 GLN HA H 4.0500 . .
517 . 57 GLN HB2 H 1.8000 . .
518 . 57 GLN HG2 H 2.2200 . .
519 . 58 TYR H H 8.6063 . .
520 . 58 TYR N N 120.0186 . .
521 . 58 TYR C C 177.2200 . .
522 . 58 TYR CA C 62.4900 . .
523 . 58 TYR CB C 38.2500 . .
524 . 58 TYR CD1 C 132.4800 . .
525 . 58 TYR CE1 C 118.5100 . .
526 . 58 TYR HA H 3.8500 . .
527 . 58 TYR HB2 H 3.2700 . .
528 . 58 TYR HB3 H 2.9900 . .
529 . 58 TYR HD1 H 6.6000 . .
530 . 58 TYR HD2 H 6.7800 . .
531 . 59 SER H H 8.6111 . .
532 . 59 SER N N 114.6805 . .
533 . 59 SER C C 177.7300 . .
534 . 59 SER CA C 62.2600 . .
535 . 59 SER CB C 62.9300 . .
536 . 59 SER HA H 4.2500 . .
537 . 59 SER HB2 H 4.2000 . .
538 . 59 SER HB3 H 4.2700 . .
539 . 60 MET H H 8.2819 . .
540 . 60 MET N N 122.5678 . .
541 . 60 MET C C 177.3300 . .
542 . 60 MET CA C 59.9100 . .
543 . 60 MET CB C 33.7200 . .
544 . 60 MET CG C 33.9300 . .
545 . 60 MET CE C 19.1100 . .
546 . 60 MET HA H 4.2000 . .
547 . 60 MET HB2 H 3.1600 . .
548 . 60 MET HB3 H 2.9200 . .
549 . 60 MET HG2 H 2.1800 . .
550 . 60 MET HE H 2.4300 . .
551 . 61 LEU H H 7.8402 . .
552 . 61 LEU N N 118.9782 . .
553 . 61 LEU C C 178.7100 . .
554 . 61 LEU CA C 57.3800 . .
555 . 61 LEU CB C 42.4600 . .
556 . 61 LEU CG C 27.3933 . .
557 . 61 LEU CD1 C 23.8720 . .
558 . 61 LEU HA H 4.4200 . .
559 . 61 LEU HB2 H 2.0200 . .
560 . 61 LEU HB3 H 1.8000 . .
561 . 61 LEU HD1 H 0.9100 . .
562 . 62 ALA H H 9.2558 . .
563 . 62 ALA N N 123.3473 . .
564 . 62 ALA C C 180.1700 . .
565 . 62 ALA CA C 55.3400 . .
566 . 62 ALA CB C 17.4600 . .
567 . 62 ALA HA H 3.9600 . .
568 . 62 ALA HB H 1.3100 . .
569 . 63 THR H H 8.0486 . .
570 . 63 THR N N 116.3006 . .
571 . 63 THR C C 175.9900 . .
572 . 63 THR CA C 67.1900 . .
573 . 63 THR CB C 68.6200 . .
574 . 63 THR CG2 C 20.8912 . .
575 . 63 THR HA H 3.9800 . .
576 . 63 THR HB H 4.5600 . .
577 . 63 THR HG2 H 1.3100 . .
578 . 64 TRP H H 7.8126 . .
579 . 64 TRP N N 122.3567 . .
580 . 64 TRP C C 178.1800 . .
581 . 64 TRP CA C 61.5800 . .
582 . 64 TRP CB C 27.6100 . .
583 . 64 TRP CD1 C 127.4300 . .
584 . 64 TRP NE1 N 130.6000 . .
585 . 64 TRP CZ2 C 115.0000 . .
586 . 64 TRP CH2 C 122.7060 . .
587 . 64 TRP CZ3 C 119.5200 . .
588 . 64 TRP CE3 C 120.8300 . .
589 . 64 TRP HA H 4.1200 . .
590 . 64 TRP HB2 H 3.7200 . .
591 . 64 TRP HB3 H 3.1800 . .
592 . 64 TRP HD1 H 7.2100 . .
593 . 64 TRP HE1 H 10.0200 . .
594 . 64 TRP HZ2 H 7.4300 . .
595 . 64 TRP HH2 H 7.1100 . .
596 . 64 TRP HZ3 H 6.8800 . .
597 . 64 TRP HE3 H 7.9300 . .
598 . 65 ARG H H 9.0636 . .
599 . 65 ARG N N 121.9736 . .
600 . 65 ARG C C 178.8800 . .
601 . 65 ARG CA C 57.7800 . .
602 . 65 ARG CB C 32.1500 . .
603 . 65 ARG HA H 4.3200 . .
604 . 65 ARG HB2 H 2.2000 . .
605 . 65 ARG HB3 H 2.0100 . .
606 . 66 ARG H H 7.9924 . .
607 . 66 ARG N N 117.9478 . .
608 . 66 ARG C C 177.2500 . .
609 . 66 ARG CA C 58.4100 . .
610 . 66 ARG CB C 30.5600 . .
611 . 66 ARG CG C 28.0200 . .
612 . 66 ARG CD C 43.6200 . .
613 . 66 ARG HA H 4.2200 . .
614 . 66 ARG HB2 H 2.0100 . .
615 . 66 ARG HG2 H 1.9700 . .
616 . 67 ARG H H 7.3390 . .
617 . 67 ARG N N 116.0837 . .
618 . 67 ARG C C 175.4100 . .
619 . 67 ARG CA C 55.8300 . .
620 . 67 ARG CB C 30.7100 . .
621 . 67 ARG CG C 26.0472 . .
622 . 67 ARG CD C 44.0750 . .
623 . 67 ARG HA H 4.5400 . .
624 . 67 ARG HB2 H 1.9100 . .
625 . 67 ARG HG2 H 2.0100 . .
626 . 67 ARG HG3 H 1.7400 . .
627 . 67 ARG HD2 H 3.2000 . .
628 . 68 THR H H 7.1498 . .
629 . 68 THR N N 120.2252 . .
630 . 68 THR CA C 60.5300 . .
631 . 68 THR CB C 69.8000 . .
632 . 68 THR CG2 C 20.6300 . .
633 . 68 THR HA H 4.5200 . .
634 . 68 THR HB H 3.2800 . .
635 . 68 THR HG2 H 1.0800 . .
636 . 69 PRO CA C 63.7100 . .
637 . 69 PRO CB C 32.5200 . .
638 . 69 PRO CG C 27.5100 . .
639 . 69 PRO CD C 51.4200 . .
640 . 69 PRO HA H 4.3800 . .
641 . 69 PRO HB2 H 2.4600 . .
642 . 69 PRO HB3 H 2.1400 . .
643 . 69 PRO HG2 H 1.9200 . .
644 . 69 PRO HD2 H 4.0300 . .
645 . 69 PRO HD3 H 3.7600 . .
646 . 70 ARG H H 8.5505 . .
647 . 70 ARG N N 123.5128 . .
648 . 70 ARG CA C 57.2800 . .
649 . 70 ARG CB C 29.8000 . .
650 . 70 ARG HA H 4.1800 . .
651 . 70 ARG HB2 H 1.9400 . .
652 . 71 ARG C C 176.0700 . .
653 . 71 ARG CA C 56.2400 . .
654 . 71 ARG CB C 30.7000 . .
655 . 71 ARG CG C 27.3294 . .
656 . 71 ARG CD C 43.4019 . .
657 . 71 ARG HA H 4.3300 . .
658 . 71 ARG HB2 H 1.8100 . .
659 . 71 ARG HG2 H 1.6500 . .
660 . 71 ARG HD2 H 3.2700 . .
661 . 72 GLU H H 8.3891 . .
662 . 72 GLU N N 118.6394 . .
663 . 72 GLU CA C 55.2600 . .
664 . 72 GLU CB C 29.1800 . .
665 . 72 GLU HA H 4.3500 . .
666 . 74 THR C C 175.9800 . .
667 . 74 THR CA C 61.9300 . .
668 . 74 THR CB C 69.7700 . .
669 . 74 THR CG2 C 22.0000 . .
670 . 74 THR HA H 4.3800 . .
671 . 74 THR HG2 H 1.8000 . .
672 . 75 LEU H H 9.3641 . .
673 . 75 LEU N N 118.8872 . .
674 . 75 LEU C C 179.4000 . .
675 . 75 LEU CA C 57.9100 . .
676 . 75 LEU CB C 41.1900 . .
677 . 75 LEU CD1 C 24.0911 . .
678 . 75 LEU HA H 4.1500 . .
679 . 75 LEU HB2 H 1.8200 . .
680 . 75 LEU HD1 H 0.9300 . .
681 . 76 GLU H H 7.3681 . .
682 . 76 GLU N N 119.7854 . .
683 . 76 GLU C C 178.8000 . .
684 . 76 GLU CA C 59.2800 . .
685 . 76 GLU CB C 29.3800 . .
686 . 76 GLU CG C 35.6381 . .
687 . 76 GLU HA H 4.2500 . .
688 . 76 GLU HB2 H 2.3000 . .
689 . 76 GLU HG2 H 2.4700 . .
690 . 77 LEU H H 7.7896 . .
691 . 77 LEU N N 120.1094 . .
692 . 77 LEU C C 179.8700 . .
693 . 77 LEU CA C 58.0900 . .
694 . 77 LEU CB C 42.3200 . .
695 . 77 LEU CD1 C 25.8300 . .
696 . 77 LEU HA H 4.2800 . .
697 . 77 LEU HB2 H 2.2500 . .
698 . 77 LEU HB3 H 1.9600 . .
699 . 77 LEU HD1 H 1.1700 . .
700 . 78 LEU H H 8.5491 . .
701 . 78 LEU N N 116.8693 . .
702 . 78 LEU C C 179.0600 . .
703 . 78 LEU CA C 57.7900 . .
704 . 78 LEU CB C 41.6600 . .
705 . 78 LEU CG C 27.0861 . .
706 . 78 LEU CD1 C 27.3500 . .
707 . 78 LEU CD2 C 23.7222 . .
708 . 78 LEU HA H 4.0200 . .
709 . 78 LEU HB2 H 1.9000 . .
710 . 78 LEU HB3 H 1.4000 . .
711 . 78 LEU HG H 2.1000 . .
712 . 78 LEU HD1 H 0.9200 . .
713 . 78 LEU HD2 H 0.4300 . .
714 . 79 GLY H H 8.5083 . .
715 . 79 GLY N N 106.4084 . .
716 . 79 GLY C C 175.3300 . .
717 . 79 GLY CA C 47.8700 . .
718 . 79 GLY HA2 H 4.0900 . .
719 . 79 GLY HA3 H 3.8400 . .
720 . 80 ARG H H 7.4748 . .
721 . 80 ARG N N 121.2626 . .
722 . 80 ARG C C 178.1100 . .
723 . 80 ARG CA C 59.5406 . .
724 . 80 ARG CB C 30.1658 . .
725 . 80 ARG CG C 27.4066 . .
726 . 80 ARG CD C 43.8488 . .
727 . 80 ARG HA H 4.1200 . .
728 . 80 ARG HB2 H 2.1300 . .
729 . 80 ARG HG2 H 1.8600 . .
730 . 80 ARG HD2 H 3.3600 . .
731 . 81 VAL H H 7.2250 . .
732 . 81 VAL N N 119.0111 . .
733 . 81 VAL C C 178.0900 . .
734 . 81 VAL CA C 66.3300 . .
735 . 81 VAL CB C 31.9900 . .
736 . 81 VAL CG1 C 22.9160 . .
737 . 81 VAL CG2 C 22.3289 . .
738 . 81 VAL HA H 3.8300 . .
739 . 81 VAL HB H 2.1300 . .
740 . 81 VAL HG1 H 0.9700 . .
741 . 81 VAL HG2 H 0.9700 . .
742 . 82 LEU H H 8.4645 . .
743 . 82 LEU N N 118.0115 . .
744 . 82 LEU C C 179.8100 . .
745 . 82 LEU CA C 58.3400 . .
746 . 82 LEU CB C 40.6500 . .
747 . 82 LEU CG C 26.5035 . .
748 . 82 LEU CD1 C 26.5700 . .
749 . 82 LEU CD2 C 23.3334 . .
750 . 82 LEU HA H 4.1000 . .
751 . 82 LEU HB2 H 1.9300 . .
752 . 82 LEU HB3 H 1.4100 . .
753 . 82 LEU HD1 H 0.7300 . .
754 . 82 LEU HD2 H 0.7300 . .
755 . 83 ARG H H 8.3448 . .
756 . 83 ARG N N 120.0984 . .
757 . 83 ARG C C 180.3700 . .
758 . 83 ARG CA C 60.4900 . .
759 . 83 ARG CB C 29.9000 . .
760 . 83 ARG CG C 19.6412 . .
761 . 83 ARG CD C 43.4509 . .
762 . 83 ARG HA H 4.0400 . .
763 . 83 ARG HB2 H 2.0700 . .
764 . 83 ARG HB3 H 1.9500 . .
765 . 83 ARG HG2 H 1.6400 . .
766 . 83 ARG HD2 H 3.3200 . .
767 . 84 ASP H H 8.2402 . .
768 . 84 ASP N N 123.2672 . .
769 . 84 ASP C C 177.6800 . .
770 . 84 ASP CA C 57.2320 . .
771 . 84 ASP CB C 40.0200 . .
772 . 84 ASP HA H 4.5500 . .
773 . 84 ASP HB2 H 3.1300 . .
774 . 84 ASP HB3 H 2.7800 . .
775 . 85 MET H H 7.7490 . .
776 . 85 MET N N 116.7250 . .
777 . 85 MET C C 174.5800 . .
778 . 85 MET CA C 56.5800 . .
779 . 85 MET CB C 34.9700 . .
780 . 85 MET CG C 32.2431 . .
781 . 85 MET CE C 16.7400 . .
782 . 85 MET HA H 4.2700 . .
783 . 85 MET HB2 H 2.5500 . .
784 . 85 MET HB3 H 1.9300 . .
785 . 85 MET HG2 H 2.8300 . .
786 . 85 MET HE H 2.1600 . .
787 . 86 ASP H H 8.2662 . .
788 . 86 ASP N N 116.8838 . .
789 . 86 ASP C C 175.5200 . .
790 . 86 ASP CA C 55.0400 . .
791 . 86 ASP CB C 38.4900 . .
792 . 86 ASP HA H 4.5500 . .
793 . 86 ASP HB2 H 3.4600 . .
794 . 86 ASP HB3 H 2.8300 . .
795 . 87 LEU H H 8.3766 . .
796 . 87 LEU N N 120.1850 . .
797 . 87 LEU C C 175.1200 . .
798 . 87 LEU CA C 52.7600 . .
799 . 87 LEU CB C 42.2500 . .
800 . 87 LEU CG C 26.3275 . .
801 . 87 LEU CD1 C 23.3287 . .
802 . 87 LEU HA H 5.0600 . .
803 . 87 LEU HB2 H 1.8500 . .
804 . 87 LEU HB3 H 1.7400 . .
805 . 87 LEU HG H 2.8100 . .
806 . 87 LEU HD1 H 1.0500 . .
807 . 88 LEU H H 8.2524 . .
808 . 88 LEU N N 121.5818 . .
809 . 88 LEU C C 179.5300 . .
810 . 88 LEU CA C 58.3400 . .
811 . 88 LEU CB C 41.3500 . .
812 . 88 LEU CG C 27.4637 . .
813 . 88 LEU CD1 C 24.3712 . .
814 . 88 LEU HA H 4.0100 . .
815 . 88 LEU HB2 H 1.8000 . .
816 . 88 LEU HB3 H 1.7200 . .
817 . 88 LEU HD1 H 1.0200 . .
818 . 89 GLY H H 8.8300 . .
819 . 89 GLY N N 108.1024 . .
820 . 89 GLY C C 175.8600 . .
821 . 89 GLY CA C 47.0200 . .
822 . 89 GLY HA2 H 3.9200 . .
823 . 90 CYS H H 7.5158 . .
824 . 90 CYS N N 120.6426 . .
825 . 90 CYS C C 176.3700 . .
826 . 90 CYS CA C 61.7351 . .
827 . 90 CYS CB C 27.1327 . .
828 . 90 CYS HA H 4.3900 . .
829 . 90 CYS HB2 H 3.1700 . .
830 . 91 LEU H H 7.6850 . .
831 . 91 LEU N N 119.7352 . .
832 . 91 LEU C C 177.9400 . .
833 . 91 LEU CA C 58.0500 . .
834 . 91 LEU CB C 41.3600 . .
835 . 91 LEU CG C 25.9222 . .
836 . 91 LEU CD1 C 26.1000 . .
837 . 91 LEU HA H 4.1100 . .
838 . 91 LEU HB2 H 2.3000 . .
839 . 91 LEU HB3 H 1.4700 . .
840 . 91 LEU HD1 H 1.0400 . .
841 . 92 GLU H H 8.1323 . .
842 . 92 GLU N N 118.7285 . .
843 . 92 GLU C C 178.3800 . .
844 . 92 GLU CA C 59.3100 . .
845 . 92 GLU CB C 28.1100 . .
846 . 92 GLU CG C 34.7696 . .
847 . 92 GLU HA H 4.1400 . .
848 . 92 GLU HB2 H 2.3200 . .
849 . 92 GLU HB3 H 2.2200 . .
850 . 92 GLU HG2 H 2.5500 . .
851 . 93 ASP H H 8.0344 . .
852 . 93 ASP N N 120.3088 . .
853 . 93 ASP C C 178.8100 . .
854 . 93 ASP CA C 59.3200 . .
855 . 93 ASP CB C 39.0954 . .
856 . 93 ASP HA H 4.5200 . .
857 . 93 ASP HB2 H 3.0700 . .
858 . 93 ASP HB3 H 2.8200 . .
859 . 94 ILE H H 8.3838 . .
860 . 94 ILE N N 122.7649 . .
861 . 94 ILE C C 176.9500 . .
862 . 94 ILE CA C 66.0400 . .
863 . 94 ILE CB C 38.5600 . .
864 . 94 ILE CG2 C 17.4396 . .
865 . 94 ILE CD1 C 15.2183 . .
866 . 94 ILE HA H 3.5500 . .
867 . 94 ILE HB H 2.1300 . .
868 . 94 ILE HG2 H 0.9200 . .
869 . 94 ILE HD1 H 0.8800 . .
870 . 95 GLU H H 8.4974 . .
871 . 95 GLU N N 117.5231 . .
872 . 95 GLU C C 179.1900 . .
873 . 95 GLU CA C 59.8000 . .
874 . 95 GLU CB C 28.1300 . .
875 . 95 GLU CG C 34.4760 . .
876 . 95 GLU HA H 3.9700 . .
877 . 95 GLU HB2 H 2.3500 . .
878 . 95 GLU HB3 H 2.1700 . .
879 . 95 GLU HG2 H 2.7200 . .
880 . 95 GLU HG3 H 2.3800 . .
881 . 96 GLU H H 8.4402 . .
882 . 96 GLU N N 118.7636 . .
883 . 96 GLU C C 178.5300 . .
884 . 96 GLU CA C 58.8300 . .
885 . 96 GLU CB C 28.6600 . .
886 . 96 GLU CG C 34.8400 . .
887 . 96 GLU HA H 4.2000 . .
888 . 96 GLU HB2 H 2.2500 . .
889 . 96 GLU HG2 H 2.6700 . .
890 . 96 GLU HG3 H 2.5200 . .
891 . 97 ALA H H 7.9269 . .
892 . 97 ALA N N 122.1008 . .
893 . 97 ALA C C 179.4100 . .
894 . 97 ALA CA C 54.3500 . .
895 . 97 ALA CB C 18.3300 . .
896 . 97 ALA HA H 4.2800 . .
897 . 97 ALA HB H 1.6700 . .
898 . 98 LEU H H 7.7215 . .
899 . 98 LEU N N 116.5207 . .
900 . 98 LEU C C 177.9600 . .
901 . 98 LEU CA C 55.7300 . .
902 . 98 LEU CB C 42.9400 . .
903 . 98 LEU CG C 26.6243 . .
904 . 98 LEU CD1 C 22.6430 . .
905 . 98 LEU HA H 4.4600 . .
906 . 98 LEU HB2 H 1.9300 . .
907 . 98 LEU HB3 H 1.7600 . .
908 . 98 LEU HD1 H 0.9900 . .
909 . 99 CYS H H 8.0401 . .
910 . 99 CYS N N 116.8404 . .
911 . 99 CYS C C 175.0500 . .
912 . 99 CYS CA C 59.4300 . .
913 . 99 CYS CB C 28.4900 . .
914 . 99 CYS HA H 4.6000 . .
915 . 99 CYS HB2 H 3.1100 . .
916 . 100 GLY H H 8.1121 . .
917 . 100 GLY N N 110.2338 . .
918 . 100 GLY CA C 44.9800 . .
919 . 100 GLY HA2 H 4.2500 . .
920 . 101 PRO CA C 63.7000 . .
921 . 101 PRO CB C 32.0500 . .
922 . 101 PRO CG C 27.3000 . .
923 . 101 PRO CD C 50.0800 . .
924 . 101 PRO HA H 4.4900 . .
925 . 101 PRO HB2 H 2.3900 . .
926 . 101 PRO HB3 H 2.1000 . .
927 . 101 PRO HD2 H 3.7800 . .
928 . 102 ALA H H 8.2911 . .
929 . 102 ALA N N 123.2056 . .
930 . 102 ALA C C 177.2800 . .
931 . 102 ALA CA C 52.2300 . .
932 . 102 ALA CB C 19.2200 . .
933 . 102 ALA HA H 4.4200 . .
934 . 102 ALA HB H 1.4900 . .
935 . 103 ALA H H 8.0751 . .
936 . 103 ALA N N 122.4285 . .
937 . 103 ALA C C 177.2900 . .
938 . 103 ALA CA C 52.3100 . .
939 . 103 ALA CB C 19.3600 . .
940 . 103 ALA HA H 4.4100 . .
941 . 103 ALA HB H 1.4800 . .
942 . 104 LEU H H 8.0161 . .
943 . 104 LEU N N 122.2454 . .
944 . 104 LEU CA C 52.6900 . .
945 . 104 LEU CB C 42.0000 . .
946 . 106 PRO CA C 62.7600 . .
947 . 106 PRO CB C 31.9700 . .
948 . 106 PRO CG C 27.5100 . .
949 . 106 PRO HA H 4.5400 . .
950 . 106 PRO HB2 H 2.1300 . .
951 . 106 PRO HB3 H 2.0100 . .
952 . 106 PRO HD2 H 2.3600 . .
953 . 107 ALA H H 8.3589 . .
954 . 107 ALA N N 125.7747 . .
955 . 107 ALA CA C 50.6100 . .
956 . 107 ALA CB C 18.3000 . .
957 . 108 PRO C C 177.0000 . .
958 . 108 PRO CA C 64.0200 . .
959 . 108 PRO CB C 31.9800 . .
960 . 108 PRO CG C 27.4900 . .
961 . 108 PRO CD C 50.4800 . .
962 . 108 PRO HA H 4.4700 . .
963 . 108 PRO HB2 H 2.1300 . .
964 . 108 PRO HB3 H 2.0300 . .
965 . 108 PRO HG2 H 2.4200 . .
966 . 108 PRO HD2 H 3.8500 . .
967 . 108 PRO HD3 H 3.7700 . .
968 . 109 SER H H 8.2765 . .
969 . 109 SER N N 114.3577 . .
970 . 109 SER C C 175.1500 . .
971 . 109 SER CA C 59.0200 . .
972 . 109 SER CB C 63.2700 . .
973 . 109 SER HA H 4.4300 . .
974 . 109 SER HB2 H 3.9900 . .
975 . 110 LEU H H 8.1566 . .
976 . 110 LEU N N 123.5322 . .
977 . 110 LEU C C 177.4500 . .
978 . 110 LEU CA C 55.7900 . .
979 . 110 LEU CB C 42.2400 . .
980 . 110 LEU CG C 27.1187 . .
981 . 110 LEU CD1 C 25.0360 . .
982 . 110 LEU CD2 C 23.6081 . .
983 . 110 LEU HA H 4.4000 . .
984 . 110 LEU HB2 H 1.7400 . .
985 . 110 LEU HD1 H 0.9900 . .
986 . 111 LEU H H 7.9433 . .
987 . 111 LEU N N 121.1357 . .
988 . 111 LEU C C 177.3500 . .
989 . 111 LEU CA C 55.5000 . .
990 . 111 LEU CB C 42.1900 . .
991 . 111 LEU CG C 27.0405 . .
992 . 111 LEU CD1 C 25.0187 . .
993 . 111 LEU CD2 C 23.4911 . .
994 . 111 LEU HA H 4.3600 . .
995 . 111 LEU HB2 H 1.6800 . .
996 . 111 LEU HD1 H 0.9700 . .
997 . 112 ARG H H 8.0834 . .
998 . 112 ARG N N 120.3632 . .
999 . 112 ARG CA C 56.2100 . .
1000 . 112 ARG CB C 30.6800 . .
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