data_4636
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the N-terminal domain of the TNFR1 associated protein,
TRADD
;
_BMRB_accession_number 4636
_BMRB_flat_file_name bmr4636.str
_Entry_type original
_Submission_date 2000-05-24
_Accession_date 2001-03-10
_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 Tsao D. . .
2 McDonaugh T. . .
3 Malakian K. . .
4 Xu G.-Y. . .
5 Telliez J.-B. . .
6 Hsu H. . .
7 Lin L.-L. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 868
"13C chemical shifts" 539
"15N chemical shifts" 171
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2001-07-30 original author .
stop_
_Original_release_date 2001-07-30
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the N-terminal domain of the TNFR1 associated protein,
TRADD
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 10911999
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tsao D. . .
2 McDonaugh T. . .
3 Malakian K. . .
4 Xu G.-Y. . .
5 Telliez J.-B. . .
6 Hsu H. . .
7 Lin L.-L. . .
stop_
_Journal_abbreviation 'Mol. Cell'
_Journal_volume 5
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1051
_Page_last 1057
_Year 2000
_Details .
loop_
_Keyword
'TNFR-1 associated protein'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_TRADD
_Saveframe_category molecular_system
_Mol_system_name 'Tumor necrosis factor receptor type 1 associated death domain protein'
_Abbreviation_common TRADD
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
TRADD $TRADD
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_TRADD
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'TUMOR NECROSIS FACTOR RECEPTOR TYPE 1 ASSOCIATED DEATH DOMAIN PROTEIN'
_Abbreviation_common TRADD
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 169
_Mol_residue_sequence
;
MAAGQNGHEEWVGSAYLFVE
SSLDKVVLSDAYAHPQQKVA
VYRALQAALAESGGSPDVLQ
MLKIHRSDPQLIVQLRFCGR
QPCGRFLRAYREGALRAALQ
RSLAAALAQHSVPLQLELRA
GAERLDALLADEERCLSCIL
AQQPDRLRDEELAELEDALR
NLKCGSGAR
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 ALA 4 GLY 5 GLN
6 ASN 7 GLY 8 HIS 9 GLU 10 GLU
11 TRP 12 VAL 13 GLY 14 SER 15 ALA
16 TYR 17 LEU 18 PHE 19 VAL 20 GLU
21 SER 22 SER 23 LEU 24 ASP 25 LYS
26 VAL 27 VAL 28 LEU 29 SER 30 ASP
31 ALA 32 TYR 33 ALA 34 HIS 35 PRO
36 GLN 37 GLN 38 LYS 39 VAL 40 ALA
41 VAL 42 TYR 43 ARG 44 ALA 45 LEU
46 GLN 47 ALA 48 ALA 49 LEU 50 ALA
51 GLU 52 SER 53 GLY 54 GLY 55 SER
56 PRO 57 ASP 58 VAL 59 LEU 60 GLN
61 MET 62 LEU 63 LYS 64 ILE 65 HIS
66 ARG 67 SER 68 ASP 69 PRO 70 GLN
71 LEU 72 ILE 73 VAL 74 GLN 75 LEU
76 ARG 77 PHE 78 CYS 79 GLY 80 ARG
81 GLN 82 PRO 83 CYS 84 GLY 85 ARG
86 PHE 87 LEU 88 ARG 89 ALA 90 TYR
91 ARG 92 GLU 93 GLY 94 ALA 95 LEU
96 ARG 97 ALA 98 ALA 99 LEU 100 GLN
101 ARG 102 SER 103 LEU 104 ALA 105 ALA
106 ALA 107 LEU 108 ALA 109 GLN 110 HIS
111 SER 112 VAL 113 PRO 114 LEU 115 GLN
116 LEU 117 GLU 118 LEU 119 ARG 120 ALA
121 GLY 122 ALA 123 GLU 124 ARG 125 LEU
126 ASP 127 ALA 128 LEU 129 LEU 130 ALA
131 ASP 132 GLU 133 GLU 134 ARG 135 CYS
136 LEU 137 SER 138 CYS 139 ILE 140 LEU
141 ALA 142 GLN 143 GLN 144 PRO 145 ASP
146 ARG 147 LEU 148 ARG 149 ASP 150 GLU
151 GLU 152 LEU 153 ALA 154 GLU 155 LEU
156 GLU 157 ASP 158 ALA 159 LEU 160 ARG
161 ASN 162 LEU 163 LYS 164 CYS 165 GLY
166 SER 167 GLY 168 ALA 169 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-20
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 1F2H "Solution Structure Of The N-Terminal Domain Of The Tnfr1 Associated Protein, Tradd" 100.00 169 100.00 100.00 3.76e-114
PDB 1F3V "Crystal Structure Of The Complex Between The N-Terminal Domain Of Tradd And The Traf Domain Of Traf2" 100.00 179 100.00 100.00 5.66e-114
DBJ BAG38020 "unnamed protein product [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
DBJ BAG52211 "unnamed protein product [Homo sapiens]" 64.50 252 100.00 100.00 6.51e-66
DBJ BAJ20315 "TNFRSF1A-associated via death domain [synthetic construct]" 100.00 312 100.00 100.00 2.76e-112
EMBL CAC38018 "TNFRSF1A-associated via death domain, TRADD [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
GB AAA98482 "tumor necrosis factor receptor type 1 associated protein, partial [Homo sapiens]" 100.00 328 100.00 100.00 3.60e-112
GB AAH04491 "TNFRSF1A-associated via death domain [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
GB AAP35580 "TNFRSF1A-associated via death domain [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
GB AAP36466 "Homo sapiens TNFRSF1A-associated via death domain [synthetic construct]" 100.00 313 100.00 100.00 2.43e-112
GB AAS68637 "TNFRSF1A-associated via death domain [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
REF NP_003780 "tumor necrosis factor receptor type 1-associated DEATH domain protein [Homo sapiens]" 100.00 312 100.00 100.00 2.76e-112
REF XP_003262922 "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein [Nomascus leucogenys]" 100.00 311 98.82 99.41 2.57e-110
REF XP_004057845 "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein [Gorilla gorilla gorilla]" 100.00 311 99.41 100.00 1.60e-111
REF XP_005256270 "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein isoform X2 [Homo sapiens]" 64.50 252 100.00 100.00 6.51e-66
REF XP_007992208 "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein isoform X1 [Chlorocebus sabaeus]" 100.00 366 97.04 98.22 3.62e-107
SP Q15628 "RecName: Full=Tumor necrosis factor receptor type 1-associated DEATH domain protein; Short=TNFR1-associated DEATH domain protei" 100.00 312 100.00 100.00 2.76e-112
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$TRADD 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
$TRADD 'recombinant technology' Bacteria . . . Prsetb
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
$TRADD 1.0 mM [U-15N]
NaCl 200 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TRADD 1.1 mM [U-13C]
NaCl 200 mM .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TRADD 0.8 mM '[U-15N; U-13C]'
NaCl 200 mM .
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 3.851
loop_
_Task
refinement
stop_
_Details 'Brunger et al'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UNITYplus
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label .
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_HNHA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_HN(CO)CACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CACB
_Sample_label .
save_
save_C(CO)NH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name C(CO)NH-TOCSY
_Sample_label .
save_
save_HCCH_TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_Sample_label .
save_
save_HAHB(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HAHB(CO)NH
_Sample_label .
save_
save_15N-edited_TOCSY-HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N-edited TOCSY-HSQC'
_Sample_label .
save_
save_methyl-methyl_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'methyl-methyl NOESY'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.6 . pH
temperature 298 . K
'ionic strength' 0.2 . M
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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
. H 1 . ppm . . . . . . $entry_citation $entry_citation
. N 15 . ppm . . . . . . $entry_citation $entry_citation
. C 13 . ppm . . . . . . $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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name TRADD
_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 . 3 ALA N N 118.00 . .
2 . 3 ALA H H 7.83 . .
3 . 3 ALA CA C 52.20 . .
4 . 3 ALA HA H 4.10 . .
5 . 3 ALA CB C 18.91 . .
6 . 3 ALA HB H 1.41 . .
7 . 4 GLY N N 109.30 . .
8 . 4 GLY H H 8.50 . .
9 . 4 GLY CA C 45.00 . .
10 . 4 GLY HA2 H 3.99 . .
11 . 5 GLN N N 120.20 . .
12 . 5 GLN H H 8.28 . .
13 . 5 GLN CA C 55.40 . .
14 . 5 GLN HA H 4.38 . .
15 . 5 GLN CB C 29.00 . .
16 . 5 GLN HB2 H 2.12 . .
17 . 5 GLN HB3 H 1.99 . .
18 . 5 GLN CG C 33.50 . .
19 . 5 GLN HG2 H 2.34 . .
20 . 5 GLN NE2 N 112.80 . .
21 . 5 GLN HE21 H 6.86 . .
22 . 5 GLN HE22 H 7.54 . .
23 . 6 ASN N N 120.20 . .
24 . 6 ASN H H 8.64 . .
25 . 6 ASN CA C 52.90 . .
26 . 6 ASN HA H 4.59 . .
27 . 6 ASN CB C 38.40 . .
28 . 6 ASN HB2 H 2.61 . .
29 . 6 ASN HB3 H 2.52 . .
30 . 6 ASN ND2 N 113.63 . .
31 . 6 ASN HD21 H 6.94 . .
32 . 6 ASN HD22 H 7.63 . .
33 . 7 GLY N N 109.60 . .
34 . 7 GLY H H 8.43 . .
35 . 7 GLY CA C 45.00 . .
36 . 7 GLY HA2 H 3.95 . .
37 . 8 HIS N N 119.00 . .
38 . 8 HIS H H 8.41 . .
39 . 8 HIS CA C 55.43 . .
40 . 8 HIS HA H 4.68 . .
41 . 8 HIS CB C 29.50 . .
42 . 8 HIS HB2 H 3.23 . .
43 . 8 HIS HB3 H 3.15 . .
44 . 8 HIS CD2 C 119.20 . .
45 . 8 HIS HD2 H 7.14 . .
46 . 9 GLU N N 122.80 . .
47 . 9 GLU H H 8.54 . .
48 . 9 GLU CA C 56.20 . .
49 . 9 GLU HA H 4.30 . .
50 . 9 GLU CB C 29.70 . .
51 . 9 GLU HB2 H 1.93 . .
52 . 9 GLU HB3 H 2.05 . .
53 . 9 GLU HG2 H 2.24 . .
54 . 10 GLU N N 123.30 . .
55 . 10 GLU H H 8.48 . .
56 . 10 GLU CA C 56.00 . .
57 . 10 GLU HA H 4.30 . .
58 . 10 GLU CB C 30.10 . .
59 . 10 GLU HB2 H 1.94 . .
60 . 10 GLU HB3 H 2.04 . .
61 . 10 GLU HG2 H 2.27 . .
62 . 11 TRP CB C 42.65 . .
63 . 11 TRP HB2 H 2.90 . .
64 . 11 TRP CD1 C 127.40 . .
65 . 11 TRP HD1 H 7.30 . .
66 . 11 TRP NE1 N 129.60 . .
67 . 11 TRP HE1 H 10.20 . .
68 . 11 TRP CZ2 C 114.50 . .
69 . 11 TRP HZ2 H 7.42 . .
70 . 11 TRP CZ3 C 120.50 . .
71 . 11 TRP HZ3 H 6.54 . .
72 . 11 TRP CE3 C 122.00 . .
73 . 11 TRP HE3 H 7.45 . .
74 . 11 TRP CH2 C 123.80 . .
75 . 11 TRP HH2 H 7.05 . .
76 . 12 VAL CA C 60.00 . .
77 . 12 VAL HA H 5.22 . .
78 . 12 VAL CB C 34.95 . .
79 . 12 VAL HB H 1.93 . .
80 . 12 VAL CG1 C 21.20 . .
81 . 12 VAL HG1 H 0.94 . .
82 . 13 GLY N N 110.00 . .
83 . 13 GLY H H 8.33 . .
84 . 13 GLY CA C 44.60 . .
85 . 13 GLY HA2 H 4.57 . .
86 . 13 GLY HA3 H 3.59 . .
87 . 14 SER CA C 56.50 . .
88 . 14 SER HA H 5.53 . .
89 . 14 SER CB C 65.80 . .
90 . 14 SER HB2 H 3.60 . .
91 . 14 SER HB3 H 3.70 . .
92 . 15 ALA N N 119.30 . .
93 . 15 ALA H H 8.08 . .
94 . 15 ALA CA C 50.60 . .
95 . 15 ALA HA H 4.94 . .
96 . 15 ALA CB C 23.10 . .
97 . 15 ALA HB H 1.42 . .
98 . 16 TYR N N 117.80 . .
99 . 16 TYR H H 9.53 . .
100 . 16 TYR CA C 56.30 . .
101 . 16 TYR HA H 5.25 . .
102 . 16 TYR CB C 41.20 . .
103 . 16 TYR HB3 H 2.94 . .
104 . 16 TYR HB2 H 2.58 . .
105 . 16 TYR CD1 C 132.10 . .
106 . 16 TYR CD2 C 132.10 . .
107 . 16 TYR HD1 H 6.92 . .
108 . 16 TYR HD2 H 6.92 . .
109 . 16 TYR CE1 C 118.20 . .
110 . 16 TYR CE2 C 118.20 . .
111 . 16 TYR HE1 H 6.74 . .
112 . 16 TYR HE2 H 6.74 . .
113 . 17 LEU N N 125.90 . .
114 . 17 LEU H H 9.44 . .
115 . 17 LEU CA C 52.60 . .
116 . 17 LEU HA H 5.44 . .
117 . 17 LEU CB C 44.90 . .
118 . 17 LEU HB3 H 2.06 . .
119 . 17 LEU HB2 H 1.27 . .
120 . 17 LEU CG C 24.40 . .
121 . 17 LEU HG H 1.27 . .
122 . 17 LEU CD1 C 25.70 . .
123 . 17 LEU HD1 H 0.89 . .
124 . 17 LEU CD2 C 26.71 . .
125 . 17 LEU HD2 H 0.51 . .
126 . 18 PHE N N 130.40 . .
127 . 18 PHE H H 10.06 . .
128 . 18 PHE CA C 56.40 . .
129 . 18 PHE HA H 5.07 . .
130 . 18 PHE CB C 39.50 . .
131 . 18 PHE HB3 H 3.28 . .
132 . 18 PHE HB2 H 2.88 . .
133 . 18 PHE CD1 C 131.60 . .
134 . 18 PHE CD2 C 131.60 . .
135 . 18 PHE HD1 H 7.27 . .
136 . 18 PHE HD2 H 7.27 . .
137 . 18 PHE CE1 C 130.20 . .
138 . 18 PHE CE2 C 130.20 . .
139 . 18 PHE HE2 H 7.11 . .
140 . 18 PHE HE1 H 7.11 . .
141 . 18 PHE CZ C 128.80 . .
142 . 18 PHE HZ H 7.11 . .
143 . 19 VAL N N 120.50 . .
144 . 19 VAL H H 9.15 . .
145 . 19 VAL CA C 60.78 . .
146 . 19 VAL HA H 4.69 . .
147 . 19 VAL CB C 34.17 . .
148 . 19 VAL HB H 1.92 . .
149 . 19 VAL CG1 C 22.43 . .
150 . 19 VAL HG1 H 0.80 . .
151 . 19 VAL CG2 C 20.41 . .
152 . 19 VAL HG2 H 0.80 . .
153 . 20 GLU N N 125.50 . .
154 . 20 GLU H H 8.36 . .
155 . 20 GLU CA C 54.42 . .
156 . 20 GLU HA H 4.69 . .
157 . 20 GLU CB C 34.15 . .
158 . 20 GLU HB2 H 2.11 . .
159 . 20 GLU CG C 35.70 . .
160 . 20 GLU HG2 H 2.36 . .
161 . 20 GLU HG3 H 2.03 . .
162 . 21 SER N N 118.40 . .
163 . 21 SER H H 8.59 . .
164 . 21 SER CA C 56.23 . .
165 . 21 SER HA H 5.13 . .
166 . 21 SER CB C 63.74 . .
167 . 21 SER HB2 H 4.20 . .
168 . 21 SER HB3 H 3.61 . .
169 . 22 SER N N 123.91 . .
170 . 22 SER H H 8.83 . .
171 . 22 SER CA C 57.72 . .
172 . 22 SER HA H 4.67 . .
173 . 22 SER CB C 62.80 . .
174 . 22 SER HB2 H 3.84 . .
175 . 22 SER HB3 H 3.71 . .
176 . 23 LEU N N 124.40 . .
177 . 23 LEU H H 8.37 . .
178 . 23 LEU CA C 53.09 . .
179 . 23 LEU HA H 4.65 . .
180 . 23 LEU CB C 43.47 . .
181 . 23 LEU HB2 H 1.81 . .
182 . 23 LEU HB3 H 1.50 . .
183 . 23 LEU CG C 27.10 . .
184 . 23 LEU HG H 1.55 . .
185 . 23 LEU CD1 C 23.70 . .
186 . 23 LEU HD1 H 1.07 . .
187 . 23 LEU CD2 C 24.70 . .
188 . 23 LEU HD2 H 1.02 . .
189 . 24 ASP N N 127.30 . .
190 . 24 ASP H H 8.77 . .
191 . 24 ASP CA C 55.90 . .
192 . 24 ASP HA H 4.24 . .
193 . 24 ASP CB C 39.80 . .
194 . 24 ASP HB2 H 2.70 . .
195 . 25 LYS N N 115.30 . .
196 . 25 LYS H H 7.60 . .
197 . 25 LYS CA C 56.20 . .
198 . 25 LYS HA H 4.14 . .
199 . 25 LYS CB C 32.30 . .
200 . 25 LYS HB3 H 1.83 . .
201 . 25 LYS HB2 H 1.98 . .
202 . 25 LYS CG C 24.70 . .
203 . 25 LYS HG2 H 1.45 . .
204 . 25 LYS HG3 H 1.53 . .
205 . 25 LYS CD C 28.70 . .
206 . 25 LYS HD2 H 1.71 . .
207 . 25 LYS CE C 41.90 . .
208 . 25 LYS HE2 H 3.04 . .
209 . 26 VAL N N 120.50 . .
210 . 26 VAL H H 7.72 . .
211 . 26 VAL CA C 61.40 . .
212 . 26 VAL HA H 4.19 . .
213 . 26 VAL CB C 32.70 . .
214 . 26 VAL HB H 2.03 . .
215 . 26 VAL CG1 C 20.75 . .
216 . 26 VAL HG1 H 0.85 . .
217 . 26 VAL HG2 H 0.82 . .
218 . 27 VAL N N 128.40 . .
219 . 27 VAL H H 8.73 . .
220 . 27 VAL CA C 64.80 . .
221 . 27 VAL HA H 3.94 . .
222 . 27 VAL CB C 27.60 . .
223 . 27 VAL HB H 2.30 . .
224 . 27 VAL CG1 C 25.60 . .
225 . 27 VAL HG1 H 0.74 . .
226 . 28 LEU N N 119.30 . .
227 . 28 LEU H H 8.70 . .
228 . 28 LEU CA C 58.30 . .
229 . 28 LEU HA H 3.98 . .
230 . 28 LEU CB C 41.30 . .
231 . 28 LEU HB2 H 1.77 . .
232 . 28 LEU HB3 H 1.44 . .
233 . 28 LEU CD2 C 25.80 . .
234 . 28 LEU HD2 H 0.78 . .
235 . 28 LEU CD1 C 22.90 . .
236 . 28 LEU HD1 H 0.75 . .
237 . 29 SER N N 109.90 . .
238 . 29 SER H H 7.33 . .
239 . 29 SER CA C 61.50 . .
240 . 29 SER HA H 3.91 . .
241 . 29 SER CB C 60.50 . .
242 . 29 SER HB2 H 3.93 . .
243 . 29 SER HB3 H 3.52 . .
244 . 30 ASP N N 122.60 . .
245 . 30 ASP H H 6.86 . .
246 . 30 ASP CA C 56.48 . .
247 . 30 ASP HA H 4.56 . .
248 . 30 ASP CB C 39.70 . .
249 . 30 ASP HB2 H 2.88 . .
250 . 30 ASP HB3 H 2.76 . .
251 . 31 ALA N N 123.80 . .
252 . 31 ALA H H 7.76 . .
253 . 31 ALA CA C 54.37 . .
254 . 31 ALA HA H 4.31 . .
255 . 31 ALA CB C 17.74 . .
256 . 31 ALA HB H 1.43 . .
257 . 32 TYR N N 114.00 . .
258 . 32 TYR H H 7.78 . .
259 . 32 TYR CA C 59.38 . .
260 . 32 TYR HA H 4.05 . .
261 . 32 TYR CB C 40.30 . .
262 . 32 TYR HB2 H 2.71 . .
263 . 32 TYR HB3 H 2.99 . .
264 . 32 TYR CD1 C 132.00 . .
265 . 32 TYR CD2 C 132.00 . .
266 . 32 TYR HD1 H 6.82 . .
267 . 32 TYR HD2 H 6.82 . .
268 . 32 TYR CE1 C 118.20 . .
269 . 32 TYR CE2 C 118.20 . .
270 . 32 TYR HE1 H 6.82 . .
271 . 32 TYR HE2 H 6.82 . .
272 . 33 ALA N N 117.20 . .
273 . 33 ALA H H 7.22 . .
274 . 33 ALA CA C 51.60 . .
275 . 33 ALA HA H 4.16 . .
276 . 33 ALA CB C 18.87 . .
277 . 33 ALA HB H 1.46 . .
278 . 34 HIS N N 123.40 . .
279 . 34 HIS H H 7.58 . .
280 . 34 HIS CA C 54.28 . .
281 . 34 HIS HA H 4.73 . .
282 . 34 HIS CB C 31.14 . .
283 . 34 HIS HB2 H 3.43 . .
284 . 34 HIS HB3 H 3.23 . .
285 . 34 HIS CD2 C 119.00 . .
286 . 34 HIS HD2 H 7.24 . .
287 . 35 PRO CA C 65.27 . .
288 . 35 PRO HA H 4.12 . .
289 . 35 PRO CB C 31.79 . .
290 . 35 PRO HB2 H 2.33 . .
291 . 35 PRO HB3 H 1.93 . .
292 . 35 PRO CG C 27.50 . .
293 . 35 PRO HG2 H 1.95 . .
294 . 35 PRO CD C 49.80 . .
295 . 35 PRO HD2 H 3.75 . .
296 . 35 PRO HD3 H 3.03 . .
297 . 36 GLN N N 116.40 . .
298 . 36 GLN H H 9.32 . .
299 . 36 GLN CA C 57.40 . .
300 . 36 GLN HA H 4.53 . .
301 . 36 GLN CB C 29.08 . .
302 . 36 GLN HB3 H 2.24 . .
303 . 36 GLN CG C 34.40 . .
304 . 36 GLN HG2 H 2.51 . .
305 . 36 GLN NE2 N 112.90 . .
306 . 36 GLN HE21 H 6.54 . .
307 . 36 GLN HE22 H 7.07 . .
308 . 37 GLN N N 121.10 . .
309 . 37 GLN H H 8.58 . .
310 . 37 GLN CA C 57.70 . .
311 . 37 GLN HA H 4.33 . .
312 . 37 GLN CB C 28.86 . .
313 . 37 GLN HB3 H 2.56 . .
314 . 37 GLN HB2 H 2.03 . .
315 . 37 GLN CG C 34.20 . .
316 . 37 GLN HG2 H 2.20 . .
317 . 37 GLN HG3 H 2.06 . .
318 . 37 GLN NE2 N 109.26 . .
319 . 37 GLN HE21 H 6.54 . .
320 . 37 GLN HE22 H 7.07 . .
321 . 38 LYS N N 120.83 . .
322 . 38 LYS H H 8.38 . .
323 . 38 LYS CA C 60.45 . .
324 . 38 LYS HA H 3.77 . .
325 . 38 LYS CB C 32.08 . .
326 . 38 LYS HB2 H 1.78 . .
327 . 38 LYS HB3 H 1.49 . .
328 . 38 LYS CG C 23.37 . .
329 . 38 LYS HG2 H 0.90 . .
330 . 38 LYS HG3 H 0.70 . .
331 . 38 LYS CD C 29.29 . .
332 . 38 LYS HD2 H 1.29 . .
333 . 38 LYS HD3 H 1.40 . .
334 . 38 LYS CE C 41.06 . .
335 . 38 LYS HE2 H 2.61 . .
336 . 38 LYS HE3 H 2.51 . .
337 . 39 VAL N N 117.10 . .
338 . 39 VAL H H 7.34 . .
339 . 39 VAL CA C 65.50 . .
340 . 39 VAL HA H 3.68 . .
341 . 39 VAL CB C 31.33 . .
342 . 39 VAL HB H 2.12 . .
343 . 39 VAL CG1 C 22.52 . .
344 . 39 VAL HG1 H 1.06 . .
345 . 39 VAL CG2 C 21.19 . .
346 . 39 VAL HG2 H 1.01 . .
347 . 40 ALA N N 122.82 . .
348 . 40 ALA H H 7.27 . .
349 . 40 ALA CA C 54.55 . .
350 . 40 ALA HA H 4.18 . .
351 . 40 ALA CB C 17.91 . .
352 . 40 ALA HB H 1.59 . .
353 . 41 VAL N N 119.40 . .
354 . 41 VAL H H 8.66 . .
355 . 41 VAL CA C 66.60 . .
356 . 41 VAL HA H 3.40 . .
357 . 41 VAL CB C 31.06 . .
358 . 41 VAL HB H 2.45 . .
359 . 41 VAL CG1 C 21.26 . .
360 . 41 VAL HG1 H 0.88 . .
361 . 41 VAL CG2 C 23.42 . .
362 . 41 VAL HG2 H 0.98 . .
363 . 42 TYR N N 121.50 . .
364 . 42 TYR H H 8.61 . .
365 . 42 TYR CA C 62.50 . .
366 . 42 TYR HA H 3.95 . .
367 . 42 TYR CB C 38.74 . .
368 . 42 TYR HB3 H 3.27 . .
369 . 42 TYR CD1 C 132.20 . .
370 . 42 TYR CD2 C 132.20 . .
371 . 42 TYR HD1 H 6.95 . .
372 . 42 TYR HD2 H 6.95 . .
373 . 42 TYR CE1 C 117.80 . .
374 . 42 TYR CE2 C 117.80 . .
375 . 42 TYR HE1 H 6.75 . .
376 . 42 TYR HE2 H 6.75 . .
377 . 43 ARG N N 118.20 . .
378 . 43 ARG H H 8.76 . .
379 . 43 ARG CA C 58.70 . .
380 . 43 ARG HA H 3.91 . .
381 . 43 ARG CB C 29.73 . .
382 . 43 ARG HB3 H 2.05 . .
383 . 43 ARG CG C 27.40 . .
384 . 43 ARG HG2 H 1.77 . .
385 . 43 ARG HG3 H 1.94 . .
386 . 43 ARG CD C 43.40 . .
387 . 43 ARG HD2 H 3.24 . .
388 . 44 ALA N N 122.96 . .
389 . 44 ALA H H 8.08 . .
390 . 44 ALA CA C 54.47 . .
391 . 44 ALA HA H 4.17 . .
392 . 44 ALA CB C 17.99 . .
393 . 44 ALA HB H 1.44 . .
394 . 45 LEU N N 121.00 . .
395 . 45 LEU H H 8.28 . .
396 . 45 LEU CA C 57.88 . .
397 . 45 LEU HA H 3.80 . .
398 . 45 LEU CB C 41.42 . .
399 . 45 LEU HB3 H 1.89 . .
400 . 45 LEU HB2 H 1.34 . .
401 . 45 LEU CG C 26.40 . .
402 . 45 LEU HG H 1.72 . .
403 . 45 LEU CD1 C 23.10 . .
404 . 45 LEU HD1 H 0.72 . .
405 . 45 LEU CD2 C 25.70 . .
406 . 45 LEU HD2 H 0.75 . .
407 . 46 GLN N N 117.80 . .
408 . 46 GLN H H 8.22 . .
409 . 46 GLN CA C 59.06 . .
410 . 46 GLN HA H 3.76 . .
411 . 46 GLN CB C 28.93 . .
412 . 46 GLN HB2 H 1.97 . .
413 . 46 GLN HB3 H 1.76 . .
414 . 46 GLN CG C 33.95 . .
415 . 46 GLN HG2 H 2.21 . .
416 . 46 GLN HG3 H 2.02 . .
417 . 46 GLN NE2 N 112.70 . .
418 . 46 GLN HE21 H 7.09 . .
419 . 46 GLN HE22 H 7.30 . .
420 . 47 ALA N N 121.70 . .
421 . 47 ALA H H 8.44 . .
422 . 47 ALA CA C 54.50 . .
423 . 47 ALA HA H 4.15 . .
424 . 47 ALA CB C 17.85 . .
425 . 47 ALA HB H 1.53 . .
426 . 48 ALA N N 120.90 . .
427 . 48 ALA H H 7.90 . .
428 . 48 ALA CA C 54.41 . .
429 . 48 ALA HA H 4.14 . .
430 . 48 ALA CB C 18.08 . .
431 . 48 ALA HB H 1.44 . .
432 . 49 LEU N N 119.00 . .
433 . 49 LEU H H 8.33 . .
434 . 49 LEU CA C 57.90 . .
435 . 49 LEU HA H 3.92 . .
436 . 49 LEU CB C 40.32 . .
437 . 49 LEU HB2 H 1.49 . .
438 . 49 LEU HB3 H 1.93 . .
439 . 49 LEU CG C 27.37 . .
440 . 49 LEU HG H 1.88 . .
441 . 49 LEU CD1 C 25.60 . .
442 . 49 LEU HD1 H 0.73 . .
443 . 49 LEU CD2 C 23.10 . .
444 . 49 LEU HD2 H 0.88 . .
445 . 50 ALA N N 121.70 . .
446 . 50 ALA H H 7.98 . .
447 . 50 ALA CA C 53.75 . .
448 . 50 ALA HA H 4.41 . .
449 . 50 ALA CB C 17.32 . .
450 . 50 ALA HB H 1.51 . .
451 . 51 GLU N N 118.50 . .
452 . 51 GLU H H 8.00 . .
453 . 51 GLU CA C 58.18 . .
454 . 51 GLU HA H 4.12 . .
455 . 51 GLU CB C 29.65 . .
456 . 51 GLU HB2 H 2.06 . .
457 . 51 GLU HB3 H 2.15 . .
458 . 51 GLU CG C 35.85 . .
459 . 51 GLU HG2 H 2.25 . .
460 . 51 GLU HG3 H 2.38 . .
461 . 52 SER N N 111.30 . .
462 . 52 SER H H 7.57 . .
463 . 52 SER CA C 58.27 . .
464 . 52 SER HA H 4.55 . .
465 . 52 SER CB C 64.29 . .
466 . 52 SER HB3 H 3.75 . .
467 . 53 GLY N N 108.20 . .
468 . 53 GLY H H 8.01 . .
469 . 53 GLY CA C 45.44 . .
470 . 53 GLY HA2 H 4.00 . .
471 . 53 GLY HA3 H 4.10 . .
472 . 54 GLY N N 110.20 . .
473 . 54 GLY H H 8.18 . .
474 . 54 GLY CA C 45.39 . .
475 . 54 GLY HA2 H 4.08 . .
476 . 54 GLY HA3 H 3.82 . .
477 . 55 SER N N 117.50 . .
478 . 55 SER H H 7.97 . .
479 . 55 SER CA C 56.70 . .
480 . 55 SER HA H 4.68 . .
481 . 55 SER CB C 61.90 . .
482 . 55 SER HB2 H 4.28 . .
483 . 55 SER HB3 H 3.99 . .
484 . 56 PRO CA C 64.40 . .
485 . 56 PRO HA H 4.84 . .
486 . 56 PRO CB C 31.30 . .
487 . 56 PRO HB2 H 2.44 . .
488 . 56 PRO HB3 H 2.00 . .
489 . 56 PRO CG C 27.50 . .
490 . 56 PRO HG2 H 2.10 . .
491 . 56 PRO CD C 50.70 . .
492 . 56 PRO HD2 H 3.84 . .
493 . 57 ASP N N 114.90 . .
494 . 57 ASP H H 8.58 . .
495 . 57 ASP CA C 55.13 . .
496 . 57 ASP HA H 4.44 . .
497 . 57 ASP CB C 39.43 . .
498 . 57 ASP HB2 H 2.73 . .
499 . 57 ASP HB3 H 2.58 . .
500 . 58 VAL N N 111.60 . .
501 . 58 VAL H H 7.80 . .
502 . 58 VAL CA C 60.51 . .
503 . 58 VAL HA H 4.76 . .
504 . 58 VAL CB C 32.88 . .
505 . 58 VAL HB H 2.56 . .
506 . 58 VAL CG1 C 18.40 . .
507 . 58 VAL HG1 H 1.05 . .
508 . 58 VAL CG2 C 21.50 . .
509 . 58 VAL HG2 H 0.92 . .
510 . 59 LEU N N 126.70 . .
511 . 59 LEU H H 7.97 . .
512 . 59 LEU CA C 54.20 . .
513 . 59 LEU HA H 4.99 . .
514 . 59 LEU CB C 42.99 . .
515 . 59 LEU HB3 H 1.45 . .
516 . 59 LEU HB2 H 1.18 . .
517 . 59 LEU CG C 27.40 . .
518 . 59 LEU HG H 1.13 . .
519 . 59 LEU CD2 C 25.73 . .
520 . 59 LEU HD2 H 0.38 . .
521 . 59 LEU CD1 C 26.03 . .
522 . 59 LEU HD1 H 0.62 . .
523 . 60 GLN N N 122.90 . .
524 . 60 GLN H H 8.51 . .
525 . 60 GLN CA C 53.82 . .
526 . 60 GLN HA H 4.72 . .
527 . 60 GLN CB C 31.41 . .
528 . 60 GLN HB3 H 1.76 . .
529 . 60 GLN HG2 H 2.24 . .
530 . 61 MET N N 122.40 . .
531 . 61 MET H H 8.73 . .
532 . 61 MET CA C 55.04 . .
533 . 61 MET HA H 4.48 . .
534 . 61 MET CB C 34.41 . .
535 . 61 MET HB2 H 2.03 . .
536 . 61 MET HB3 H 1.64 . .
537 . 61 MET CG C 31.60 . .
538 . 61 MET HG2 H 2.15 . .
539 . 61 MET HG3 H 1.93 . .
540 . 61 MET CE C 16.90 . .
541 . 61 MET HE H 1.67 . .
542 . 62 LEU N N 123.40 . .
543 . 62 LEU H H 8.86 . .
544 . 62 LEU CA C 55.10 . .
545 . 62 LEU HA H 4.31 . .
546 . 62 LEU CB C 43.30 . .
547 . 62 LEU HB3 H 1.38 . .
548 . 62 LEU CG C 26.40 . .
549 . 62 LEU HG H 1.38 . .
550 . 62 LEU CD1 C 22.20 . .
551 . 62 LEU HD1 H 0.68 . .
552 . 62 LEU CD2 C 22.20 . .
553 . 62 LEU HD2 H 0.55 . .
554 . 63 LYS N N 114.60 . .
555 . 63 LYS H H 7.07 . .
556 . 63 LYS CA C 55.50 . .
557 . 63 LYS HA H 4.42 . .
558 . 63 LYS CB C 35.81 . .
559 . 63 LYS HB2 H 1.78 . .
560 . 63 LYS HB3 H 1.60 . .
561 . 63 LYS CG C 24.40 . .
562 . 63 LYS HG2 H 1.13 . .
563 . 63 LYS HG3 H 1.24 . .
564 . 63 LYS CD C 28.90 . .
565 . 63 LYS HD2 H 1.64 . .
566 . 63 LYS CE C 41.40 . .
567 . 63 LYS HE2 H 2.82 . .
568 . 63 LYS HE3 H 2.91 . .
569 . 64 ILE N N 124.60 . .
570 . 64 ILE H H 8.78 . .
571 . 64 ILE CA C 60.76 . .
572 . 64 ILE HA H 4.66 . .
573 . 64 ILE CB C 38.99 . .
574 . 64 ILE HB H 1.63 . .
575 . 64 ILE CG1 C 28.20 . .
576 . 64 ILE HG12 H 1.60 . .
577 . 64 ILE HG13 H 0.90 . .
578 . 64 ILE CG2 C 17.70 . .
579 . 64 ILE HG2 H 0.07 . .
580 . 64 ILE CD1 C 13.50 . .
581 . 64 ILE HD1 H 0.89 . .
582 . 65 HIS N N 126.70 . .
583 . 65 HIS H H 9.42 . .
584 . 65 HIS CA C 53.56 . .
585 . 65 HIS HA H 4.90 . .
586 . 65 HIS CB C 33.00 . .
587 . 65 HIS HB2 H 3.00 . .
588 . 65 HIS HB3 H 2.88 . .
589 . 65 HIS CD2 C 119.10 . .
590 . 65 HIS HD2 H 6.73 . .
591 . 66 ARG N N 123.70 . .
592 . 66 ARG H H 8.81 . .
593 . 66 ARG CA C 55.67 . .
594 . 66 ARG HA H 4.32 . .
595 . 66 ARG CB C 31.00 . .
596 . 66 ARG HB3 H 1.80 . .
597 . 66 ARG HB2 H 1.93 . .
598 . 66 ARG CG C 27.50 . .
599 . 66 ARG HG2 H 1.59 . .
600 . 66 ARG HG3 H 1.80 . .
601 . 66 ARG CD C 43.70 . .
602 . 66 ARG HD2 H 3.37 . .
603 . 66 ARG HD3 H 3.46 . .
604 . 67 SER N N 121.20 . .
605 . 67 SER H H 8.18 . .
606 . 67 SER CA C 55.48 . .
607 . 67 SER HA H 4.57 . .
608 . 67 SER CB C 61.89 . .
609 . 67 SER HB2 H 3.71 . .
610 . 67 SER HB3 H 3.30 . .
611 . 68 ASP N N 123.50 . .
612 . 68 ASP H H 8.63 . .
613 . 68 ASP CA C 53.15 . .
614 . 68 ASP HA H 4.57 . .
615 . 68 ASP CB C 40.40 . .
616 . 68 ASP HB2 H 2.55 . .
617 . 68 ASP HB3 H 2.61 . .
618 . 69 PRO CA C 64.70 . .
619 . 69 PRO HA H 5.13 . .
620 . 69 PRO CB C 33.89 . .
621 . 69 PRO HB2 H 2.53 . .
622 . 69 PRO HB3 H 2.28 . .
623 . 69 PRO CG C 24.50 . .
624 . 69 PRO HG2 H 1.70 . .
625 . 69 PRO HG3 H 2.14 . .
626 . 69 PRO CD C 49.30 . .
627 . 69 PRO HD2 H 3.55 . .
628 . 70 GLN N N 127.20 . .
629 . 70 GLN H H 8.98 . .
630 . 70 GLN CA C 55.50 . .
631 . 70 GLN HA H 4.81 . .
632 . 70 GLN CB C 30.65 . .
633 . 70 GLN HB2 H 2.29 . .
634 . 70 GLN HB3 H 1.97 . .
635 . 70 GLN CG C 34.34 . .
636 . 70 GLN HG2 H 2.29 . .
637 . 70 GLN NE2 N 111.80 . .
638 . 70 GLN HE21 H 7.67 . .
639 . 70 GLN HE22 H 6.72 . .
640 . 71 LEU N N 117.60 . .
641 . 71 LEU H H 8.55 . .
642 . 71 LEU CA C 52.94 . .
643 . 71 LEU HA H 4.84 . .
644 . 71 LEU CB C 44.08 . .
645 . 71 LEU HB2 H 1.00 . .
646 . 71 LEU HB3 H 1.37 . .
647 . 71 LEU CG C 26.30 . .
648 . 71 LEU HG H 1.39 . .
649 . 71 LEU CD1 C 24.79 . .
650 . 71 LEU HD1 H 0.52 . .
651 . 71 LEU CD2 C 22.40 . .
652 . 71 LEU HD2 H 0.56 . .
653 . 72 ILE N N 121.70 . .
654 . 72 ILE H H 8.72 . .
655 . 72 ILE CA C 60.19 . .
656 . 72 ILE HA H 4.39 . .
657 . 72 ILE CB C 38.82 . .
658 . 72 ILE HB H 1.38 . .
659 . 72 ILE CG1 C 26.10 . .
660 . 72 ILE HG12 H 1.02 . .
661 . 72 ILE HG13 H 0.14 . .
662 . 72 ILE CG2 C 17.70 . .
663 . 72 ILE HG2 H 0.07 . .
664 . 72 ILE CD1 C 14.90 . .
665 . 72 ILE HD1 H 0.52 . .
666 . 73 VAL N N 129.60 . .
667 . 73 VAL H H 9.67 . .
668 . 73 VAL CA C 60.09 . .
669 . 73 VAL HA H 4.63 . .
670 . 73 VAL CB C 33.31 . .
671 . 73 VAL HB H 2.23 . .
672 . 73 VAL CG1 C 21.23 . .
673 . 73 VAL HG1 H 0.81 . .
674 . 73 VAL CG2 C 20.47 . .
675 . 73 VAL HG2 H 0.83 . .
676 . 74 GLN N N 128.80 . .
677 . 74 GLN H H 8.96 . .
678 . 74 GLN CA C 54.83 . .
679 . 74 GLN HA H 4.63 . .
680 . 74 GLN CB C 29.16 . .
681 . 74 GLN HB3 H 1.78 . .
682 . 74 GLN HB2 H 2.14 . .
683 . 74 GLN CG C 33.30 . .
684 . 74 GLN HG2 H 2.23 . .
685 . 74 GLN NE2 N 110.20 . .
686 . 74 GLN HE21 H 6.21 . .
687 . 74 GLN HE22 H 7.21 . .
688 . 75 LEU N N 128.80 . .
689 . 75 LEU H H 8.96 . .
690 . 75 LEU CA C 52.60 . .
691 . 75 LEU HA H 4.90 . .
692 . 75 LEU CB C 44.00 . .
693 . 75 LEU HB2 H 1.21 . .
694 . 75 LEU HB3 H 0.35 . .
695 . 75 LEU CG C 26.40 . .
696 . 75 LEU HG H 1.51 . .
697 . 75 LEU CD1 C 21.40 . .
698 . 75 LEU HD1 H 0.82 . .
699 . 75 LEU CD2 C 23.80 . .
700 . 75 LEU HD2 H 0.49 . .
701 . 76 ARG CA C 53.77 . .
702 . 76 ARG HA H 4.82 . .
703 . 76 ARG CB C 33.33 . .
704 . 76 ARG HB2 H 1.77 . .
705 . 76 ARG HB3 H 1.43 . .
706 . 77 PHE CA C 55.90 . .
707 . 77 PHE HA H 5.15 . .
708 . 77 PHE CB C 42.20 . .
709 . 77 PHE HB2 H 3.23 . .
710 . 77 PHE HB3 H 2.72 . .
711 . 77 PHE CD1 C 132.50 . .
712 . 77 PHE CD2 C 132.50 . .
713 . 77 PHE HD1 H 6.92 . .
714 . 77 PHE HD2 H 6.92 . .
715 . 77 PHE CE1 C 130.70 . .
716 . 77 PHE CE2 C 130.70 . .
717 . 77 PHE HE2 H 6.62 . .
718 . 77 PHE HE1 H 6.62 . .
719 . 77 PHE CZ C 128.10 . .
720 . 77 PHE HZ H 6.10 . .
721 . 78 CYS N N 122.80 . .
722 . 78 CYS H H 8.97 . .
723 . 78 CYS CA C 57.50 . .
724 . 78 CYS HA H 5.10 . .
725 . 78 CYS CB C 27.00 . .
726 . 78 CYS HB2 H 3.04 . .
727 . 78 CYS HB3 H 2.78 . .
728 . 79 GLY N N 114.50 . .
729 . 79 GLY H H 8.34 . .
730 . 79 GLY CA C 45.00 . .
731 . 79 GLY HA2 H 3.93 . .
732 . 79 GLY HA3 H 4.43 . .
733 . 80 ARG N N 118.80 . .
734 . 80 ARG H H 8.26 . .
735 . 80 ARG CA C 55.30 . .
736 . 80 ARG HA H 4.26 . .
737 . 80 ARG CB C 29.60 . .
738 . 80 ARG HB3 H 1.90 . .
739 . 80 ARG HG2 H 1.40 . .
740 . 81 GLN N N 118.20 . .
741 . 81 GLN H H 8.91 . .
742 . 81 GLN CA C 60.10 . .
743 . 81 GLN HA H 4.20 . .
744 . 81 GLN CB C 25.20 . .
745 . 81 GLN HB3 H 2.14 . .
746 . 81 GLN CG C 34.00 . .
747 . 81 GLN HG2 H 2.36 . .
748 . 81 GLN HG3 H 2.44 . .
749 . 81 GLN NE2 N 112.53 . .
750 . 81 GLN HE21 H 6.91 . .
751 . 81 GLN HE22 H 7.53 . .
752 . 82 PRO CA C 65.27 . .
753 . 82 PRO HA H 4.32 . .
754 . 82 PRO CB C 30.43 . .
755 . 82 PRO HB2 H 1.97 . .
756 . 82 PRO HB3 H 2.37 . .
757 . 82 PRO CG C 27.90 . .
758 . 82 PRO HG2 H 2.07 . .
759 . 82 PRO HG3 H 2.35 . .
760 . 82 PRO CD C 49.70 . .
761 . 82 PRO HD2 H 3.56 . .
762 . 82 PRO HD3 H 3.71 . .
763 . 83 CYS N N 119.50 . .
764 . 83 CYS H H 7.17 . .
765 . 83 CYS CA C 62.65 . .
766 . 83 CYS HA H 3.79 . .
767 . 83 CYS CB C 26.30 . .
768 . 83 CYS HB2 H 2.34 . .
769 . 83 CYS HB3 H 2.65 . .
770 . 84 GLY N N 107.50 . .
771 . 84 GLY H H 8.43 . .
772 . 84 GLY CA C 46.86 . .
773 . 84 GLY HA2 H 3.60 . .
774 . 84 GLY HA3 H 3.99 . .
775 . 85 ARG N N 122.30 . .
776 . 85 ARG H H 8.12 . .
777 . 85 ARG CA C 59.47 . .
778 . 85 ARG HA H 4.07 . .
779 . 85 ARG CB C 29.58 . .
780 . 85 ARG HB3 H 2.05 . .
781 . 85 ARG CG C 27.79 . .
782 . 85 ARG HG2 H 1.83 . .
783 . 85 ARG HG3 H 1.69 . .
784 . 85 ARG CD C 43.39 . .
785 . 85 ARG HD2 H 3.26 . .
786 . 86 PHE N N 122.90 . .
787 . 86 PHE H H 8.16 . .
788 . 86 PHE CA C 61.25 . .
789 . 86 PHE HA H 4.33 . .
790 . 86 PHE CB C 38.31 . .
791 . 86 PHE HB2 H 3.59 . .
792 . 86 PHE HB3 H 3.30 . .
793 . 86 PHE CD1 C 132.20 . .
794 . 86 PHE CD2 C 132.20 . .
795 . 86 PHE HD1 H 7.12 . .
796 . 86 PHE HD2 H 7.12 . .
797 . 86 PHE CE1 C 130.20 . .
798 . 86 PHE CE2 C 130.20 . .
799 . 86 PHE HE1 H 7.06 . .
800 . 86 PHE HE2 H 7.06 . .
801 . 86 PHE CZ C 128.20 . .
802 . 86 PHE HZ H 6.95 . .
803 . 87 LEU N N 120.80 . .
804 . 87 LEU H H 8.82 . .
805 . 87 LEU CA C 57.42 . .
806 . 87 LEU HA H 3.75 . .
807 . 87 LEU CB C 41.03 . .
808 . 87 LEU HB2 H 2.02 . .
809 . 87 LEU HB3 H 1.46 . .
810 . 87 LEU CG C 26.20 . .
811 . 87 LEU HG H 1.92 . .
812 . 87 LEU CD1 C 26.20 . .
813 . 87 LEU HD1 H 0.73 . .
814 . 87 LEU CD2 C 22.30 . .
815 . 87 LEU HD2 H 0.68 . .
816 . 88 ARG N N 119.80 . .
817 . 88 ARG H H 8.09 . .
818 . 88 ARG CA C 59.53 . .
819 . 88 ARG HA H 3.95 . .
820 . 88 ARG CB C 29.27 . .
821 . 88 ARG HB3 H 1.95 . .
822 . 88 ARG CG C 27.47 . .
823 . 88 ARG HG2 H 1.56 . .
824 . 88 ARG HG3 H 1.78 . .
825 . 88 ARG CD C 43.38 . .
826 . 88 ARG HD2 H 3.26 . .
827 . 88 ARG HD3 H 3.14 . .
828 . 89 ALA N N 122.40 . .
829 . 89 ALA H H 7.97 . .
830 . 89 ALA CA C 54.42 . .
831 . 89 ALA HA H 4.24 . .
832 . 89 ALA CB C 17.72 . .
833 . 89 ALA HB H 1.49 . .
834 . 90 TYR N N 120.80 . .
835 . 90 TYR H H 8.90 . .
836 . 90 TYR CA C 61.19 . .
837 . 90 TYR HA H 3.87 . .
838 . 90 TYR CB C 37.96 . .
839 . 90 TYR HB2 H 3.07 . .
840 . 90 TYR HB3 H 2.27 . .
841 . 90 TYR CD1 C 131.60 . .
842 . 90 TYR CD2 C 131.60 . .
843 . 90 TYR HD1 H 6.76 . .
844 . 90 TYR HD2 H 6.76 . .
845 . 90 TYR CE1 C 118.00 . .
846 . 90 TYR CE2 C 118.00 . .
847 . 90 TYR HE1 H 6.70 . .
848 . 90 TYR HE2 H 6.70 . .
849 . 91 ARG N N 122.60 . .
850 . 91 ARG H H 9.15 . .
851 . 91 ARG CA C 58.78 . .
852 . 91 ARG HA H 3.97 . .
853 . 91 ARG CB C 30.69 . .
854 . 91 ARG HB3 H 2.06 . .
855 . 91 ARG CG C 26.60 . .
856 . 91 ARG HG2 H 1.82 . .
857 . 91 ARG CD C 43.39 . .
858 . 91 ARG HD2 H 3.20 . .
859 . 91 ARG HD3 H 3.07 . .
860 . 92 GLU N N 115.50 . .
861 . 92 GLU H H 8.41 . .
862 . 92 GLU CA C 56.55 . .
863 . 92 GLU HA H 4.28 . .
864 . 92 GLU CB C 29.48 . .
865 . 92 GLU HB2 H 2.08 . .
866 . 92 GLU HB3 H 2.24 . .
867 . 92 GLU CG C 36.70 . .
868 . 92 GLU HG2 H 2.53 . .
869 . 92 GLU HG3 H 2.39 . .
870 . 93 GLY N N 106.20 . .
871 . 93 GLY H H 7.42 . .
872 . 93 GLY CA C 44.92 . .
873 . 93 GLY HA2 H 4.35 . .
874 . 93 GLY HA3 H 3.94 . .
875 . 94 ALA N N 125.50 . .
876 . 94 ALA H H 7.74 . .
877 . 94 ALA CA C 54.40 . .
878 . 94 ALA HA H 4.23 . .
879 . 94 ALA CB C 18.24 . .
880 . 94 ALA HB H 1.54 . .
881 . 95 LEU N N 119.80 . .
882 . 95 LEU H H 7.15 . .
883 . 95 LEU CA C 56.90 . .
884 . 95 LEU HA H 4.23 . .
885 . 95 LEU CB C 40.20 . .
886 . 95 LEU HB3 H 1.71 . .
887 . 95 LEU HB2 H 1.15 . .
888 . 95 LEU CG C 27.50 . .
889 . 95 LEU HG H 1.52 . .
890 . 95 LEU CD2 C 27.00 . .
891 . 95 LEU CD1 C 23.50 . .
892 . 95 LEU HD2 H 0.97 . .
893 . 95 LEU HD1 H 0.91 . .
894 . 96 ARG N N 119.30 . .
895 . 96 ARG H H 8.22 . .
896 . 96 ARG CA C 60.30 . .
897 . 96 ARG HA H 3.63 . .
898 . 96 ARG CB C 29.12 . .
899 . 96 ARG HB3 H 1.75 . .
900 . 96 ARG CG C 27.30 . .
901 . 96 ARG HG2 H 1.30 . .
902 . 96 ARG HG3 H 1.47 . .
903 . 96 ARG CD C 43.20 . .
904 . 96 ARG HD2 H 3.37 . .
905 . 96 ARG HD3 H 3.14 . .
906 . 97 ALA N N 119.90 . .
907 . 97 ALA H H 7.84 . .
908 . 97 ALA CA C 55.00 . .
909 . 97 ALA HA H 4.08 . .
910 . 97 ALA CB C 17.77 . .
911 . 97 ALA HB H 1.52 . .
912 . 98 ALA N N 120.80 . .
913 . 98 ALA H H 7.98 . .
914 . 98 ALA CA C 54.70 . .
915 . 98 ALA HA H 4.17 . .
916 . 98 ALA CB C 18.03 . .
917 . 98 ALA HB H 1.57 . .
918 . 99 LEU N N 121.70 . .
919 . 99 LEU H H 8.72 . .
920 . 99 LEU CA C 56.70 . .
921 . 99 LEU HA H 4.16 . .
922 . 99 LEU CB C 42.50 . .
923 . 99 LEU HB2 H 1.67 . .
924 . 99 LEU HB3 H 1.36 . .
925 . 99 LEU CG C 26.90 . .
926 . 99 LEU HG H 1.64 . .
927 . 99 LEU CD1 C 25.70 . .
928 . 99 LEU CD2 C 27.70 . .
929 . 99 LEU HD1 H 0.84 . .
930 . 99 LEU HD2 H 0.79 . .
931 . 100 GLN N N 119.60 . .
932 . 100 GLN H H 8.70 . .
933 . 100 GLN CA C 59.60 . .
934 . 100 GLN HA H 3.96 . .
935 . 100 GLN CB C 35.80 . .
936 . 100 GLN HB2 H 3.04 . .
937 . 100 GLN HB3 H 2.75 . .
938 . 100 GLN CG C 27.80 . .
939 . 100 GLN HG2 H 2.18 . .
940 . 100 GLN NE2 N 109.70 . .
941 . 100 GLN HE21 H 6.92 . .
942 . 100 GLN HE22 H 7.20 . .
943 . 101 ARG N N 118.80 . .
944 . 101 ARG H H 7.63 . .
945 . 101 ARG CA C 59.20 . .
946 . 101 ARG HA H 4.16 . .
947 . 101 ARG CB C 30.40 . .
948 . 101 ARG HB2 H 2.07 . .
949 . 101 ARG HB3 H 1.92 . .
950 . 101 ARG CG C 27.80 . .
951 . 101 ARG HG2 H 1.63 . .
952 . 101 ARG HG3 H 1.87 . .
953 . 101 ARG CD C 43.20 . .
954 . 101 ARG HD2 H 3.33 . .
955 . 101 ARG HD3 H 3.24 . .
956 . 102 SER N N 117.20 . .
957 . 102 SER H H 8.73 . .
958 . 102 SER CA C 61.60 . .
959 . 102 SER HA H 4.35 . .
960 . 102 SER CB C 61.70 . .
961 . 102 SER HB3 H 4.05 . .
962 . 103 LEU N N 124.20 . .
963 . 103 LEU H H 8.98 . .
964 . 103 LEU CA C 57.46 . .
965 . 103 LEU HA H 4.05 . .
966 . 103 LEU CB C 40.76 . .
967 . 103 LEU HB3 H 2.07 . .
968 . 103 LEU HB2 H 1.15 . .
969 . 103 LEU CG C 27.50 . .
970 . 103 LEU HG H 1.70 . .
971 . 103 LEU CD2 C 23.90 . .
972 . 103 LEU HD2 H 0.82 . .
973 . 103 LEU CD1 C 26.30 . .
974 . 103 LEU HD1 H 0.81 . .
975 . 104 ALA N N 121.60 . .
976 . 104 ALA H H 7.65 . .
977 . 104 ALA CA C 55.93 . .
978 . 104 ALA HA H 3.80 . .
979 . 104 ALA CB C 16.83 . .
980 . 104 ALA HB H 1.46 . .
981 . 105 ALA N N 118.00 . .
982 . 105 ALA H H 7.27 . .
983 . 105 ALA CA C 54.13 . .
984 . 105 ALA HA H 4.20 . .
985 . 105 ALA CB C 17.59 . .
986 . 105 ALA HB H 1.53 . .
987 . 106 ALA N N 120.50 . .
988 . 106 ALA H H 7.96 . .
989 . 106 ALA CA C 54.09 . .
990 . 106 ALA HA H 4.17 . .
991 . 106 ALA CB C 19.50 . .
992 . 106 ALA HB H 1.47 . .
993 . 107 LEU N N 114.00 . .
994 . 107 LEU H H 7.88 . .
995 . 107 LEU CA C 53.40 . .
996 . 107 LEU HA H 4.34 . .
997 . 107 LEU CB C 40.90 . .
998 . 107 LEU HB2 H 1.50 . .
999 . 107 LEU HB3 H 1.70 . .
1000 . 107 LEU CG C 28.68 . .
1001 . 107 LEU HG H 1.71 . .
1002 . 107 LEU CD1 C 21.70 . .
1003 . 107 LEU HD1 H 0.71 . .
1004 . 107 LEU CD2 C 25.30 . .
1005 . 107 LEU HD2 H 0.71 . .
1006 . 108 ALA N N 123.10 . .
1007 . 108 ALA H H 7.76 . .
1008 . 108 ALA CA C 52.61 . .
1009 . 108 ALA HA H 4.05 . .
1010 . 108 ALA CB C 15.82 . .
1011 . 108 ALA HB H 1.37 . .
1012 . 109 GLN N N 115.70 . .
1013 . 109 GLN H H 8.27 . .
1014 . 109 GLN CA C 52.40 . .
1015 . 109 GLN HA H 4.56 . .
1016 . 109 GLN CB C 31.70 . .
1017 . 109 GLN HB2 H 1.25 . .
1018 . 109 GLN HB3 H 2.19 . .
1019 . 109 GLN CG C 31.80 . .
1020 . 109 GLN HG2 H 1.94 . .
1021 . 109 GLN HG3 H 2.25 . .
1022 . 109 GLN NE2 N 113.30 . .
1023 . 109 GLN HE21 H 6.83 . .
1024 . 109 GLN HE22 H 7.28 . .
1025 . 110 HIS N N 127.10 . .
1026 . 110 HIS H H 8.62 . .
1027 . 110 HIS CA C 58.30 . .
1028 . 110 HIS HA H 4.32 . .
1029 . 110 HIS CB C 29.40 . .
1030 . 110 HIS HB2 H 3.16 . .
1031 . 110 HIS CD2 C 119.20 . .
1032 . 110 HIS HD2 H 7.16 . .
1033 . 111 SER N N 110.10 . .
1034 . 111 SER H H 7.62 . .
1035 . 111 SER CA C 56.75 . .
1036 . 111 SER HA H 4.40 . .
1037 . 111 SER CB C 63.89 . .
1038 . 111 SER HB3 H 3.62 . .
1039 . 112 VAL N N 123.80 . .
1040 . 112 VAL H H 8.40 . .
1041 . 112 VAL CA C 59.00 . .
1042 . 112 VAL HA H 4.35 . .
1043 . 112 VAL CB C 33.01 . .
1044 . 112 VAL HB H 2.12 . .
1045 . 112 VAL CG2 C 21.40 . .
1046 . 112 VAL HG2 H 0.83 . .
1047 . 112 VAL CG1 C 21.10 . .
1048 . 112 VAL HG1 H 0.70 . .
1049 . 113 PRO CA C 61.80 . .
1050 . 113 PRO HA H 4.32 . .
1051 . 113 PRO CB C 31.00 . .
1052 . 113 PRO HB2 H 2.16 . .
1053 . 113 PRO HB3 H 1.88 . .
1054 . 113 PRO CG C 29.30 . .
1055 . 113 PRO CD C 49.67 . .
1056 . 113 PRO HD2 H 3.50 . .
1057 . 113 PRO HD3 H 3.60 . .
1058 . 114 LEU N N 121.50 . .
1059 . 114 LEU H H 8.38 . .
1060 . 114 LEU CA C 52.90 . .
1061 . 114 LEU HA H 5.42 . .
1062 . 114 LEU CB C 47.12 . .
1063 . 114 LEU HB2 H 1.53 . .
1064 . 114 LEU HB3 H 1.31 . .
1065 . 114 LEU CG C 25.30 . .
1066 . 114 LEU HG H 2.15 . .
1067 . 114 LEU CD1 C 23.80 . .
1068 . 114 LEU HD1 H 0.71 . .
1069 . 114 LEU CD2 C 27.60 . .
1070 . 114 LEU HD2 H 0.78 . .
1071 . 115 GLN N N 119.80 . .
1072 . 115 GLN H H 8.94 . .
1073 . 115 GLN CA C 54.54 . .
1074 . 115 GLN HA H 4.62 . .
1075 . 115 GLN CB C 31.03 . .
1076 . 115 GLN HB2 H 2.04 . .
1077 . 115 GLN HB3 H 1.86 . .
1078 . 115 GLN CG C 33.47 . .
1079 . 115 GLN HG2 H 2.29 . .
1080 . 115 GLN NE2 N 112.60 . .
1081 . 115 GLN HE21 H 6.78 . .
1082 . 115 GLN HE22 H 7.48 . .
1083 . 116 LEU N N 124.70 . .
1084 . 116 LEU H H 8.53 . .
1085 . 116 LEU CA C 52.63 . .
1086 . 116 LEU HA H 5.86 . .
1087 . 116 LEU CB C 45.07 . .
1088 . 116 LEU HB2 H 1.86 . .
1089 . 116 LEU HB3 H 1.89 . .
1090 . 116 LEU CG C 28.30 . .
1091 . 116 LEU HG H 1.61 . .
1092 . 116 LEU CD2 C 25.50 . .
1093 . 116 LEU HD2 H 1.03 . .
1094 . 116 LEU CD1 C 25.70 . .
1095 . 116 LEU HD1 H 0.83 . .
1096 . 117 GLU N N 120.00 . .
1097 . 117 GLU H H 8.47 . .
1098 . 117 GLU CA C 55.42 . .
1099 . 117 GLU HA H 4.96 . .
1100 . 117 GLU CB C 33.81 . .
1101 . 117 GLU HB2 H 1.85 . .
1102 . 117 GLU CG C 36.80 . .
1103 . 117 GLU HG2 H 2.06 . .
1104 . 117 GLU HG3 H 2.30 . .
1105 . 118 LEU N N 128.40 . .
1106 . 118 LEU H H 9.65 . .
1107 . 118 LEU CA C 52.96 . .
1108 . 118 LEU HA H 5.62 . .
1109 . 118 LEU CB C 45.46 . .
1110 . 118 LEU HB2 H 1.43 . .
1111 . 118 LEU HB3 H 0.91 . .
1112 . 118 LEU CG C 26.85 . .
1113 . 118 LEU HG H 1.22 . .
1114 . 118 LEU CD1 C 23.10 . .
1115 . 118 LEU HD1 H 0.83 . .
1116 . 118 LEU CD2 C 26.00 . .
1117 . 118 LEU HD2 H 0.36 . .
1118 . 119 ARG N N 124.40 . .
1119 . 119 ARG H H 9.54 . .
1120 . 119 ARG CA C 54.25 . .
1121 . 119 ARG HA H 5.43 . .
1122 . 119 ARG CB C 34.88 . .
1123 . 119 ARG HB3 H 1.89 . .
1124 . 119 ARG CG C 27.68 . .
1125 . 119 ARG HG2 H 1.44 . .
1126 . 119 ARG CD C 43.26 . .
1127 . 119 ARG HD2 H 2.88 . .
1128 . 120 ALA N N 124.20 . .
1129 . 120 ALA H H 8.54 . .
1130 . 120 ALA CA C 50.85 . .
1131 . 120 ALA HA H 4.91 . .
1132 . 120 ALA CB C 20.94 . .
1133 . 120 ALA HB H 1.38 . .
1134 . 121 GLY N N 115.90 . .
1135 . 121 GLY H H 9.03 . .
1136 . 121 GLY CA C 46.74 . .
1137 . 121 GLY HA2 H 3.96 . .
1138 . 121 GLY HA3 H 3.68 . .
1139 . 122 ALA N N 127.80 . .
1140 . 122 ALA H H 8.97 . .
1141 . 122 ALA CA C 51.86 . .
1142 . 122 ALA HA H 4.31 . .
1143 . 122 ALA CB C 18.74 . .
1144 . 122 ALA HB H 1.44 . .
1145 . 123 GLU N N 119.60 . .
1146 . 123 GLU H H 7.99 . .
1147 . 123 GLU CA C 55.23 . .
1148 . 123 GLU HA H 4.44 . .
1149 . 123 GLU CB C 31.01 . .
1150 . 123 GLU HB2 H 2.08 . .
1151 . 123 GLU CG C 35.50 . .
1152 . 123 GLU HG2 H 2.25 . .
1153 . 123 GLU HG3 H 2.28 . .
1154 . 124 ARG N N 126.00 . .
1155 . 124 ARG H H 8.64 . .
1156 . 124 ARG CA C 55.73 . .
1157 . 124 ARG HA H 4.48 . .
1158 . 124 ARG CB C 29.44 . .
1159 . 124 ARG HB2 H 1.75 . .
1160 . 124 ARG HB3 H 2.09 . .
1161 . 124 ARG CG C 27.91 . .
1162 . 124 ARG HG2 H 1.60 . .
1163 . 124 ARG HG3 H 1.73 . .
1164 . 124 ARG CD C 43.30 . .
1165 . 124 ARG HD2 H 3.18 . .
1166 . 125 LEU N N 126.00 . .
1167 . 125 LEU H H 9.29 . .
1168 . 125 LEU CA C 55.94 . .
1169 . 125 LEU HA H 4.31 . .
1170 . 125 LEU CB C 40.78 . .
1171 . 125 LEU HB3 H 1.52 . .
1172 . 125 LEU CG C 27.10 . .
1173 . 125 LEU HG H 1.75 . .
1174 . 125 LEU CD1 C 22.92 . .
1175 . 125 LEU HD1 H 0.89 . .
1176 . 125 LEU CD2 C 25.30 . .
1177 . 125 LEU HD2 H 0.76 . .
1178 . 126 ASP N N 117.20 . .
1179 . 126 ASP H H 8.43 . .
1180 . 126 ASP CA C 58.07 . .
1181 . 126 ASP HA H 4.24 . .
1182 . 126 ASP CB C 40.62 . .
1183 . 126 ASP HB2 H 2.76 . .
1184 . 126 ASP HB3 H 2.52 . .
1185 . 127 ALA N N 117.60 . .
1186 . 127 ALA H H 7.84 . .
1187 . 127 ALA CA C 52.73 . .
1188 . 127 ALA HA H 4.42 . .
1189 . 127 ALA CB C 18.42 . .
1190 . 127 ALA HB H 1.50 . .
1191 . 128 LEU N N 118.40 . .
1192 . 128 LEU H H 8.01 . .
1193 . 128 LEU CA C 53.90 . .
1194 . 128 LEU HA H 4.63 . .
1195 . 128 LEU CB C 43.42 . .
1196 . 128 LEU HB2 H 1.71 . .
1197 . 128 LEU HB3 H 1.81 . .
1198 . 128 LEU CG C 26.30 . .
1199 . 128 LEU HG H 1.68 . .
1200 . 128 LEU CD1 C 22.90 . .
1201 . 128 LEU HD1 H 0.87 . .
1202 . 128 LEU CD2 C 25.30 . .
1203 . 128 LEU HD2 H 0.90 . .
1204 . 129 LEU N N 117.10 . .
1205 . 129 LEU H H 6.91 . .
1206 . 129 LEU CA C 56.98 . .
1207 . 129 LEU HA H 4.02 . .
1208 . 129 LEU CB C 42.04 . .
1209 . 129 LEU HB2 H 1.44 . .
1210 . 129 LEU HB3 H 1.86 . .
1211 . 129 LEU CG C 25.73 . .
1212 . 129 LEU HG H 2.27 . .
1213 . 129 LEU CD2 C 23.03 . .
1214 . 129 LEU HD2 H 0.90 . .
1215 . 129 LEU CD1 C 26.20 . .
1216 . 129 LEU HD1 H 1.16 . .
1217 . 130 ALA N N 118.50 . .
1218 . 130 ALA H H 8.26 . .
1219 . 130 ALA CA C 53.20 . .
1220 . 130 ALA HA H 4.23 . .
1221 . 130 ALA CB C 18.20 . .
1222 . 130 ALA HB H 1.40 . .
1223 . 131 ASP N N 120.80 . .
1224 . 131 ASP H H 8.39 . .
1225 . 131 ASP CA C 51.04 . .
1226 . 131 ASP HA H 4.86 . .
1227 . 131 ASP CB C 39.89 . .
1228 . 131 ASP HB2 H 2.37 . .
1229 . 131 ASP HB3 H 3.24 . .
1230 . 132 GLU N N 125.20 . .
1231 . 132 GLU H H 8.29 . .
1232 . 132 GLU CA C 60.32 . .
1233 . 132 GLU HA H 3.80 . .
1234 . 132 GLU CB C 30.03 . .
1235 . 132 GLU HB2 H 2.05 . .
1236 . 132 GLU HB3 H 2.13 . .
1237 . 132 GLU CG C 36.80 . .
1238 . 132 GLU HG2 H 2.21 . .
1239 . 132 GLU HG3 H 2.15 . .
1240 . 133 GLU N N 117.40 . .
1241 . 133 GLU H H 8.55 . .
1242 . 133 GLU CA C 59.19 . .
1243 . 133 GLU HA H 3.98 . .
1244 . 133 GLU CB C 28.56 . .
1245 . 133 GLU HB2 H 2.11 . .
1246 . 133 GLU CG C 35.93 . .
1247 . 133 GLU HG2 H 2.35 . .
1248 . 134 ARG N N 121.86 . .
1249 . 134 ARG H H 7.78 . .
1250 . 134 ARG CA C 57.70 . .
1251 . 134 ARG HA H 4.15 . .
1252 . 134 ARG CB C 30.14 . .
1253 . 134 ARG HB3 H 1.94 . .
1254 . 134 ARG CG C 26.90 . .
1255 . 134 ARG HG2 H 1.74 . .
1256 . 134 ARG CD C 43.70 . .
1257 . 134 ARG HD2 H 3.26 . .
1258 . 135 CYS N N 117.70 . .
1259 . 135 CYS H H 7.97 . .
1260 . 135 CYS CA C 64.70 . .
1261 . 135 CYS HA H 3.95 . .
1262 . 135 CYS CB C 27.40 . .
1263 . 135 CYS HB2 H 3.25 . .
1264 . 135 CYS HB3 H 2.30 . .
1265 . 136 LEU N N 119.30 . .
1266 . 136 LEU H H 8.70 . .
1267 . 136 LEU CA C 58.30 . .
1268 . 136 LEU HA H 4.00 . .
1269 . 136 LEU CB C 41.40 . .
1270 . 136 LEU HB2 H 2.00 . .
1271 . 136 LEU HB3 H 1.50 . .
1272 . 136 LEU CG C 26.70 . .
1273 . 136 LEU HG H 1.71 . .
1274 . 136 LEU CD1 C 23.90 . .
1275 . 136 LEU HD1 H 0.67 . .
1276 . 136 LEU CD2 C 25.50 . .
1277 . 136 LEU HD2 H 0.71 . .
1278 . 137 SER N N 114.90 . .
1279 . 137 SER H H 8.20 . .
1280 . 137 SER CA C 62.10 . .
1281 . 137 SER HA H 4.25 . .
1282 . 137 SER HB2 H 4.05 . .
1283 . 137 SER HB3 H 4.12 . .
1284 . 138 CYS N N 120.50 . .
1285 . 138 CYS H H 7.97 . .
1286 . 138 CYS CA C 62.96 . .
1287 . 138 CYS HA H 4.20 . .
1288 . 138 CYS CB C 26.75 . .
1289 . 138 CYS HB3 H 3.09 . .
1290 . 138 CYS HB2 H 2.85 . .
1291 . 139 ILE N N 121.90 . .
1292 . 139 ILE H H 7.80 . .
1293 . 139 ILE CA C 64.43 . .
1294 . 139 ILE HA H 3.97 . .
1295 . 139 ILE CB C 38.85 . .
1296 . 139 ILE HB H 1.88 . .
1297 . 139 ILE CG1 C 30.50 . .
1298 . 139 ILE HG12 H 1.85 . .
1299 . 139 ILE HG13 H 0.85 . .
1300 . 139 ILE CG2 C 17.90 . .
1301 . 139 ILE HG2 H 0.87 . .
1302 . 139 ILE CD1 C 14.00 . .
1303 . 139 ILE HD1 H 0.39 . .
1304 . 140 LEU N N 121.30 . .
1305 . 140 LEU H H 8.20 . .
1306 . 140 LEU CA C 56.20 . .
1307 . 140 LEU HA H 3.63 . .
1308 . 140 LEU CB C 41.20 . .
1309 . 140 LEU HB2 H 1.61 . .
1310 . 140 LEU HB3 H 1.35 . .
1311 . 140 LEU HG H 1.34 . .
1312 . 140 LEU CD1 C 24.50 . .
1313 . 140 LEU HD1 H 0.68 . .
1314 . 140 LEU CD2 C 21.50 . .
1315 . 140 LEU HD2 H 0.10 . .
1316 . 141 ALA N N 118.20 . .
1317 . 141 ALA H H 7.32 . .
1318 . 141 ALA CA C 52.51 . .
1319 . 141 ALA HA H 4.18 . .
1320 . 141 ALA CB C 18.16 . .
1321 . 141 ALA HB H 1.50 . .
1322 . 142 GLN N N 119.20 . .
1323 . 142 GLN H H 7.56 . .
1324 . 142 GLN CA C 53.37 . .
1325 . 142 GLN HA H 4.36 . .
1326 . 142 GLN CB C 27.82 . .
1327 . 142 GLN HB3 H 2.20 . .
1328 . 142 GLN CG C 33.14 . .
1329 . 142 GLN HG2 H 2.52 . .
1330 . 142 GLN HG3 H 2.26 . .
1331 . 142 GLN NE2 N 114.40 . .
1332 . 142 GLN HE21 H 6.67 . .
1333 . 142 GLN HE22 H 7.64 . .
1334 . 143 GLN N N 124.20 . .
1335 . 143 GLN H H 8.25 . .
1336 . 143 GLN CA C 53.12 . .
1337 . 143 GLN HA H 4.50 . .
1338 . 143 GLN CB C 28.21 . .
1339 . 143 GLN HB3 H 1.97 . .
1340 . 143 GLN CG C 33.20 . .
1341 . 143 GLN HG2 H 2.33 . .
1342 . 143 GLN NE2 N 114.90 . .
1343 . 143 GLN HE21 H 6.95 . .
1344 . 143 GLN HE22 H 7.61 . .
1345 . 144 PRO CA C 62.51 . .
1346 . 144 PRO HA H 4.37 . .
1347 . 144 PRO CB C 31.52 . .
1348 . 144 PRO HB2 H 2.02 . .
1349 . 144 PRO CG C 27.01 . .
1350 . 144 PRO HG2 H 1.78 . .
1351 . 144 PRO CD C 49.76 . .
1352 . 144 PRO HD2 H 3.60 . .
1353 . 144 PRO HD3 H 3.64 . .
1354 . 145 ASP N N 121.20 . .
1355 . 145 ASP H H 8.31 . .
1356 . 145 ASP CA C 53.68 . .
1357 . 145 ASP HA H 4.52 . .
1358 . 145 ASP CB C 40.56 . .
1359 . 145 ASP HB2 H 2.68 . .
1360 . 146 ARG N N 118.60 . .
1361 . 146 ARG H H 7.92 . .
1362 . 146 ARG CA C 55.52 . .
1363 . 146 ARG HA H 4.32 . .
1364 . 146 ARG CB C 30.54 . .
1365 . 146 ARG HB2 H 1.90 . .
1366 . 146 ARG HB3 H 1.76 . .
1367 . 146 ARG CG C 26.40 . .
1368 . 146 ARG HG2 H 1.57 . .
1369 . 146 ARG HG3 H 1.62 . .
1370 . 146 ARG CD C 43.00 . .
1371 . 146 ARG HD2 H 3.19 . .
1372 . 147 LEU N N 121.20 . .
1373 . 147 LEU H H 7.99 . .
1374 . 147 LEU CA C 53.88 . .
1375 . 147 LEU HA H 4.39 . .
1376 . 147 LEU CB C 42.22 . .
1377 . 147 LEU HB2 H 1.59 . .
1378 . 147 LEU HB3 H 1.64 . .
1379 . 147 LEU CG C 27.00 . .
1380 . 147 LEU HG H 1.63 . .
1381 . 147 LEU CD1 C 24.85 . .
1382 . 147 LEU HD1 H 0.89 . .
1383 . 147 LEU CD2 C 23.06 . .
1384 . 147 LEU HD2 H 0.84 . .
1385 . 148 ARG N N 121.60 . .
1386 . 148 ARG H H 8.37 . .
1387 . 148 ARG CA C 55.85 . .
1388 . 148 ARG HA H 4.32 . .
1389 . 148 ARG CB C 26.75 . .
1390 . 148 ARG HB3 H 1.76 . .
1391 . 148 ARG CG C 30.50 . .
1392 . 148 ARG HG2 H 1.85 . .
1393 . 148 ARG CD C 43.63 . .
1394 . 148 ARG HD2 H 3.17 . .
1395 . 149 ASP N N 124.60 . .
1396 . 149 ASP H H 8.62 . .
1397 . 149 ASP CA C 54.93 . .
1398 . 149 ASP HA H 4.52 . .
1399 . 149 ASP CB C 41.82 . .
1400 . 149 ASP HB2 H 2.82 . .
1401 . 149 ASP HB3 H 2.72 . .
1402 . 150 GLU N N 125.50 . .
1403 . 150 GLU H H 8.95 . .
1404 . 150 GLU CA C 58.64 . .
1405 . 150 GLU HA H 4.10 . .
1406 . 150 GLU CB C 29.00 . .
1407 . 150 GLU HB2 H 2.08 . .
1408 . 150 GLU CG C 36.17 . .
1409 . 150 GLU HG2 H 2.37 . .
1410 . 151 GLU N N 120.20 . .
1411 . 151 GLU H H 8.40 . .
1412 . 151 GLU CA C 58.45 . .
1413 . 151 GLU HA H 4.12 . .
1414 . 151 GLU CB C 29.49 . .
1415 . 151 GLU HB2 H 2.08 . .
1416 . 151 GLU HB3 H 2.14 . .
1417 . 151 GLU CG C 36.68 . .
1418 . 151 GLU HG2 H 2.30 . .
1419 . 151 GLU HG3 H 2.18 . .
1420 . 152 LEU N N 119.20 . .
1421 . 152 LEU H H 7.84 . .
1422 . 152 LEU CA C 56.55 . .
1423 . 152 LEU HA H 4.01 . .
1424 . 152 LEU CB C 40.08 . .
1425 . 152 LEU HB3 H 1.78 . .
1426 . 152 LEU HB2 H 1.59 . .
1427 . 152 LEU CG C 27.20 . .
1428 . 152 LEU HG H 1.76 . .
1429 . 152 LEU CD1 C 25.30 . .
1430 . 152 LEU HD1 H 0.85 . .
1431 . 152 LEU CD2 C 23.45 . .
1432 . 152 LEU HD2 H 0.85 . .
1433 . 153 ALA N N 122.40 . .
1434 . 153 ALA H H 7.70 . .
1435 . 153 ALA CA C 54.39 . .
1436 . 153 ALA HA H 4.03 . .
1437 . 153 ALA CB C 17.65 . .
1438 . 153 ALA HB H 1.47 . .
1439 . 154 GLU N N 118.30 . .
1440 . 154 GLU H H 7.84 . .
1441 . 154 GLU CA C 58.25 . .
1442 . 154 GLU HA H 4.08 . .
1443 . 154 GLU CB C 29.03 . .
1444 . 154 GLU HB2 H 2.10 . .
1445 . 154 GLU CG C 36.03 . .
1446 . 154 GLU HG2 H 2.24 . .
1447 . 154 GLU HG3 H 2.41 . .
1448 . 155 LEU N N 122.40 . .
1449 . 155 LEU H H 7.70 . .
1450 . 155 LEU CA C 56.90 . .
1451 . 155 LEU HA H 4.04 . .
1452 . 155 LEU CB C 40.90 . .
1453 . 155 LEU HB2 H 1.44 . .
1454 . 155 LEU HB3 H 1.09 . .
1455 . 155 LEU CG C 26.40 . .
1456 . 155 LEU HG H 1.70 . .
1457 . 155 LEU CD1 C 23.50 . .
1458 . 155 LEU HD1 H 0.67 . .
1459 . 155 LEU CD2 C 25.60 . .
1460 . 155 LEU HD2 H 0.71 . .
1461 . 156 GLU N N 119.40 . .
1462 . 156 GLU H H 8.16 . .
1463 . 156 GLU CA C 58.80 . .
1464 . 156 GLU HA H 4.00 . .
1465 . 156 GLU CB C 29.10 . .
1466 . 156 GLU HB2 H 2.10 . .
1467 . 156 GLU HB3 H 2.17 . .
1468 . 156 GLU CG C 36.20 . .
1469 . 156 GLU HG2 H 2.34 . .
1470 . 157 ASP N N 120.30 . .
1471 . 157 ASP H H 8.04 . .
1472 . 157 ASP CA C 56.60 . .
1473 . 157 ASP HA H 4.40 . .
1474 . 157 ASP CB C 40.60 . .
1475 . 157 ASP HB2 H 2.74 . .
1476 . 157 ASP HB3 H 2.68 . .
1477 . 158 ALA N N 123.10 . .
1478 . 158 ALA H H 8.00 . .
1479 . 158 ALA CA C 54.30 . .
1480 . 158 ALA HA H 4.18 . .
1481 . 158 ALA CB C 17.80 . .
1482 . 158 ALA HB H 1.54 . .
1483 . 159 LEU N N 118.50 . .
1484 . 159 LEU H H 8.09 . .
1485 . 159 LEU CA C 56.38 . .
1486 . 159 LEU HA H 4.14 . .
1487 . 159 LEU CB C 41.23 . .
1488 . 159 LEU HB2 H 1.69 . .
1489 . 159 LEU HB3 H 1.89 . .
1490 . 159 LEU CG C 26.70 . .
1491 . 159 LEU HG H 1.84 . .
1492 . 159 LEU CD2 C 25.10 . .
1493 . 159 LEU HD2 H 0.98 . .
1494 . 159 LEU HD1 H 0.91 . .
1495 . 159 LEU CD1 C 23.60 . .
1496 . 160 ARG N N 119.80 . .
1497 . 160 ARG H H 7.88 . .
1498 . 160 ARG CA C 57.94 . .
1499 . 160 ARG HA H 4.15 . .
1500 . 160 ARG CB C 29.88 . .
1501 . 160 ARG HB3 H 1.95 . .
1502 . 160 ARG CG C 27.44 . .
1503 . 160 ARG HG2 H 1.67 . .
1504 . 160 ARG CD C 43.22 . .
1505 . 160 ARG HD2 H 3.26 . .
1506 . 161 ASN N N 117.50 . .
1507 . 161 ASN H H 8.01 . .
1508 . 161 ASN CA C 53.70 . .
1509 . 161 ASN HA H 4.72 . .
1510 . 161 ASN CB C 38.38 . .
1511 . 161 ASN HB2 H 2.91 . .
1512 . 161 ASN HB3 H 2.78 . .
1513 . 161 ASN ND2 N 113.90 . .
1514 . 161 ASN HD21 H 6.89 . .
1515 . 161 ASN HD22 H 7.57 . .
1516 . 162 LEU N N 121.70 . .
1517 . 162 LEU H H 7.83 . .
1518 . 162 LEU CA C 55.61 . .
1519 . 162 LEU HA H 4.30 . .
1520 . 162 LEU CB C 41.85 . .
1521 . 162 LEU HB2 H 1.80 . .
1522 . 162 LEU HB3 H 1.66 . .
1523 . 162 LEU CG C 26.60 . .
1524 . 162 LEU HG H 1.51 . .
1525 . 162 LEU CD1 C 24.80 . .
1526 . 162 LEU HD1 H 0.93 . .
1527 . 162 LEU CD2 C 23.40 . .
1528 . 162 LEU HD2 H 0.91 . .
1529 . 163 LYS N N 121.00 . .
1530 . 163 LYS H H 8.15 . .
1531 . 163 LYS CA C 56.30 . .
1532 . 163 LYS HA H 4.32 . .
1533 . 163 LYS CB C 32.17 . .
1534 . 163 LYS HB2 H 1.88 . .
1535 . 163 LYS HB3 H 1.92 . .
1536 . 163 LYS CG C 24.66 . .
1537 . 163 LYS HG2 H 1.52 . .
1538 . 163 LYS HG3 H 1.48 . .
1539 . 163 LYS CD C 28.85 . .
1540 . 163 LYS HD2 H 1.69 . .
1541 . 163 LYS CE C 41.90 . .
1542 . 163 LYS HE2 H 3.01 . .
1543 . 164 CYS N N 119.40 . .
1544 . 164 CYS H H 8.23 . .
1545 . 164 CYS CA C 58.33 . .
1546 . 164 CYS HA H 4.54 . .
1547 . 164 CYS CB C 27.65 . .
1548 . 164 CYS HB3 H 2.99 . .
1549 . 165 GLY N N 111.60 . .
1550 . 165 GLY H H 8.42 . .
1551 . 165 GLY CA C 45.00 . .
1552 . 165 GLY HA2 H 4.06 . .
1553 . 166 SER N N 116.20 . .
1554 . 166 SER H H 8.33 . .
1555 . 166 SER CA C 58.14 . .
1556 . 166 SER HA H 4.47 . .
1557 . 166 SER CB C 63.40 . .
1558 . 166 SER HB3 H 3.91 . .
1559 . 167 GLY N N 111.50 . .
1560 . 167 GLY H H 8.48 . .
1561 . 167 GLY CA C 44.80 . .
1562 . 167 GLY HA2 H 3.98 . .
1563 . 168 ALA N N 124.70 . .
1564 . 168 ALA H H 8.09 . .
1565 . 168 ALA CA C 52.03 . .
1566 . 168 ALA HA H 4.35 . .
1567 . 168 ALA CB C 18.94 . .
1568 . 168 ALA HB H 1.40 . .
1569 . 169 ARG N N 126.00 . .
1570 . 169 ARG H H 7.93 . .
1571 . 169 ARG CA C 56.88 . .
1572 . 169 ARG HA H 4.19 . .
1573 . 169 ARG CB C 31.12 . .
1574 . 169 ARG HB2 H 1.69 . .
1575 . 169 ARG HB3 H 1.85 . .
1576 . 169 ARG HG2 H 1.73 . .
1577 . 169 ARG HG3 H 1.52 . .
1578 . 169 ARG HE H 3.20 . .
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