data_4814
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Complete 1H, 15N, and 13C assignments of an exchangeable apolipoprotein, Locusta
migratoria apolipophorin III
;
_BMRB_accession_number 4814
_BMRB_flat_file_name bmr4814.str
_Entry_type original
_Submission_date 2000-08-24
_Accession_date 2000-08-24
_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 Fan Daping . .
2 Reese Leslie . .
3 Ren Xuefeng . .
4 Weers Paul M. .
5 Ryan Robert O .
6 Wang Jianjun . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 894
"13C chemical shifts" 324
"15N chemical shifts" 159
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2001-02-14 original author .
stop_
_Original_release_date 2001-02-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: Complete 1H, 15N, and 13C assignments of an exchangeable
apolipoprotein, Locusta migratoria apolipophorin III
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fan Daping . .
2 Reese Leslie . .
3 Ren Xuefeng . .
4 Weers Paul M.M. .
5 Ryan Robert O .
6 Wang Jianjun . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 19
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 83
_Page_last 84
_Year 2001
_Details .
loop_
_Keyword
NMR
apolipoprotein
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J. and Bax, A. (1995)
NMRpipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol.
NMR 6, 277-293.
;
_Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 8520220
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Delaglio F. . .
2 Grzesiek S. . .
3 Vuister 'G. W.' W. .
4 Zhu G. . .
5 Pfeifer J. . .
6 Bax A. . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_name_full 'Journal of biomolecular NMR'
_Journal_volume 6
_Journal_issue 3
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 277
_Page_last 293
_Year 1995
_Details
;
The NMRPipe system is a UNIX software environment of processing, graphics, and
analysis tools designed to meet current routine and research-oriented
multidimensional processing requirements, and to anticipate and accommodate
future demands and developments. The system is based on UNIX pipes, which allow
programs running simultaneously to exchange streams of data under user control.
In an NMRPipe processing scheme, a stream of spectral data flows through a
pipeline of processing programs, each of which performs one component of the
overall scheme, such as Fourier transformation or linear prediction. Complete
multidimensional processing schemes are constructed as simple UNIX shell
scripts. The processing modules themselves maintain and exploit accurate
records of data sizes, detection modes, and calibration information in all
dimensions, so that schemes can be constructed without the need to explicitly
define or anticipate data sizes or storage details of real and imaginary
channels during processing. The asynchronous pipeline scheme provides other
substantial advantages, including high flexibility, favorable processing
speeds, choice of both all-in-memory and disk-bound processing, easy adaptation
to different data formats, simpler software development and maintenance, and
the ability to distribute processing tasks on multi-CPU computers and computer
networks.
;
save_
##################################
# Molecular system description #
##################################
save_Locust_apoLp-III
_Saveframe_category molecular_system
_Mol_system_name 'Locust apolipophorin-III'
_Abbreviation_common 'Locust apoLp-III'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'exchangeable apolipoprotein' $apoLp-III
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'lipoprotein binding'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_apoLp-III
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common apolipoprotein
_Abbreviation_common apoLp-III
_Molecular_mass 17501.92
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 164
_Mol_residue_sequence
;
RPDAAGHVNIAEAVQQLNHT
IVNAAHELHETLGLPTPDEA
LNLLTEQANAFKTKIAEVTT
SLKQEAEKHQGSVAEQLNAF
ARNLNNSIHDAATSLNLQDQ
LNSLQSALTNVGHQWQDIAT
KTQASAQEAWAPVQSALQEA
AEKTKEAAANLQNSIQSAVQ
KPAN
;
loop_
_Residue_seq_code
_Residue_label
1 ARG 2 PRO 3 ASP 4 ALA 5 ALA
6 GLY 7 HIS 8 VAL 9 ASN 10 ILE
11 ALA 12 GLU 13 ALA 14 VAL 15 GLN
16 GLN 17 LEU 18 ASN 19 HIS 20 THR
21 ILE 22 VAL 23 ASN 24 ALA 25 ALA
26 HIS 27 GLU 28 LEU 29 HIS 30 GLU
31 THR 32 LEU 33 GLY 34 LEU 35 PRO
36 THR 37 PRO 38 ASP 39 GLU 40 ALA
41 LEU 42 ASN 43 LEU 44 LEU 45 THR
46 GLU 47 GLN 48 ALA 49 ASN 50 ALA
51 PHE 52 LYS 53 THR 54 LYS 55 ILE
56 ALA 57 GLU 58 VAL 59 THR 60 THR
61 SER 62 LEU 63 LYS 64 GLN 65 GLU
66 ALA 67 GLU 68 LYS 69 HIS 70 GLN
71 GLY 72 SER 73 VAL 74 ALA 75 GLU
76 GLN 77 LEU 78 ASN 79 ALA 80 PHE
81 ALA 82 ARG 83 ASN 84 LEU 85 ASN
86 ASN 87 SER 88 ILE 89 HIS 90 ASP
91 ALA 92 ALA 93 THR 94 SER 95 LEU
96 ASN 97 LEU 98 GLN 99 ASP 100 GLN
101 LEU 102 ASN 103 SER 104 LEU 105 GLN
106 SER 107 ALA 108 LEU 109 THR 110 ASN
111 VAL 112 GLY 113 HIS 114 GLN 115 TRP
116 GLN 117 ASP 118 ILE 119 ALA 120 THR
121 LYS 122 THR 123 GLN 124 ALA 125 SER
126 ALA 127 GLN 128 GLU 129 ALA 130 TRP
131 ALA 132 PRO 133 VAL 134 GLN 135 SER
136 ALA 137 LEU 138 GLN 139 GLU 140 ALA
141 ALA 142 GLU 143 LYS 144 THR 145 LYS
146 GLU 147 ALA 148 ALA 149 ALA 150 ASN
151 LEU 152 GLN 153 ASN 154 SER 155 ILE
156 GLN 157 SER 158 ALA 159 VAL 160 GLN
161 LYS 162 PRO 163 ALA 164 ASN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-03-03
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 1AEP "Molecular Structure Of An Apolipoprotein Determined At 2.5- Angstroms Resolution" 98.17 161 100.00 100.00 7.23e-106
PDB 1LS4 "Nmr Structure Of Apolipophorin-Iii From Locusta Migratoria" 100.00 180 100.00 100.00 2.47e-109
GB AAA29282 "apolipophorin-III [Locusta migratoria]" 100.00 180 100.00 100.00 2.47e-109
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$apoLp-III . 7004 Eukaryota Metazoa Locusta migratoria
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$apoLp-III 'recombinant technology' 'E. coli' Escherichia coli BL-21 DE3 .
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$apoLp-III . mM 0.6 1.0 '[U-99% 13C; U-99% 15N]'
stop_
save_
############################
# Computer software used #
############################
save_NMRPIPE
_Saveframe_category software
_Name NMRPIPE
_Version 1.7
loop_
_Task
'Spectral processing'
stop_
_Details .
_Citation_label $ref_1
save_
save_PIPP
_Saveframe_category software
_Name PIPP
_Version 4.2.0
loop_
_Task
'Spectral assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_A_5_mm_triple-resonance_probe_with_z-gradient._The_above_pulse_sequences_are_from_Dr._1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'A 5 mm triple-resonance probe with z-gradient. The above pulse sequences are from Dr.'
_Sample_label $sample_1
save_
save_Lewis_Kay's_laboratory_at_the_University_of_Toronto_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Lewis Kay's laboratory at the University of Toronto'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_Normal-Cond
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.4 0.1 n/a
temperature 303 1 K
'ionic strength' 0.25 0.01 M
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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . .
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_apoIII_locust_shift
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Normal-Cond
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'exchangeable apolipoprotein'
_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 ARG N N 125.542 0.05 .
2 . 1 ARG H H 8.175 0.02 .
3 . 1 ARG CA C 53.740 0.05 .
4 . 1 ARG HA H 4.600 0.02 .
5 . 1 ARG CB C 30.460 0.05 .
6 . 1 ARG HB3 H 1.820 0.02 .
7 . 1 ARG HB2 H 1.800 0.02 .
8 . 1 ARG HG3 H 1.700 0.02 .
9 . 1 ARG HG2 H 1.660 0.02 .
10 . 1 ARG HD3 H 3.190 0.02 .
11 . 1 ARG HD2 H 3.180 0.02 .
12 . 2 PRO CA C 63.310 0.05 .
13 . 2 PRO HA H 4.505 0.02 .
14 . 2 PRO CB C 31.885 0.05 .
15 . 2 PRO HB3 H 2.510 0.02 .
16 . 2 PRO HB2 H 2.470 0.02 .
17 . 2 PRO HG3 H 2.440 0.02 .
18 . 2 PRO HG2 H 2.430 0.02 .
19 . 3 ASP N N 119.595 0.05 .
20 . 3 ASP H H 8.341 0.02 .
21 . 3 ASP CA C 54.157 0.05 .
22 . 3 ASP HA H 4.390 0.02 .
23 . 3 ASP CB C 40.967 0.05 .
24 . 3 ASP HB3 H 2.650 0.02 .
25 . 3 ASP HB2 H 2.630 0.02 .
26 . 4 ALA N N 124.192 0.05 .
27 . 4 ALA H H 8.153 0.02 .
28 . 4 ALA CA C 52.610 0.05 .
29 . 4 ALA HA H 4.170 0.02 .
30 . 4 ALA CB C 19.217 0.05 .
31 . 4 ALA HB H 1.480 0.02 .
32 . 5 ALA N N 122.703 0.05 .
33 . 5 ALA H H 8.162 0.02 .
34 . 5 ALA CA C 52.603 0.05 .
35 . 5 ALA HA H 4.265 0.02 .
36 . 5 ALA CB C 19.167 0.05 .
37 . 5 ALA HB H 1.350 0.02 .
38 . 6 GLY N N 107.488 0.05 .
39 . 6 GLY H H 8.184 0.02 .
40 . 6 GLY CA C 45.273 0.05 .
41 . 6 GLY HA3 H 3.860 0.02 .
42 . 6 GLY HA2 H 3.860 0.02 .
43 . 7 HIS N N 118.761 0.05 .
44 . 7 HIS H H 8.118 0.02 .
45 . 7 HIS CA C 55.800 0.05 .
46 . 7 HIS HA H 4.330 0.02 .
47 . 7 HIS CB C 30.370 0.05 .
48 . 7 HIS HB3 H 3.840 0.02 .
49 . 7 HIS HB2 H 3.670 0.02 .
50 . 7 HIS HD2 H 7.530 0.02 .
51 . 8 VAL N N 121.773 0.05 .
52 . 8 VAL H H 8.147 0.02 .
53 . 8 VAL CA C 62.083 0.05 .
54 . 8 VAL HA H 4.055 0.02 .
55 . 8 VAL CB C 33.020 0.05 .
56 . 8 VAL HB H 1.960 0.02 .
57 . 8 VAL HG1 H 0.870 0.02 .
58 . 8 VAL HG2 H 0.830 0.02 .
59 . 9 ASN N N 122.966 0.05 .
60 . 9 ASN H H 8.546 0.02 .
61 . 9 ASN CA C 52.700 0.05 .
62 . 9 ASN HA H 4.720 0.02 .
63 . 9 ASN CB C 39.060 0.05 .
64 . 9 ASN HB3 H 2.925 0.02 .
65 . 9 ASN HB2 H 2.815 0.02 .
66 . 9 ASN HD21 H 7.870 0.02 .
67 . 9 ASN HD22 H 6.640 0.02 .
68 . 10 ILE N N 122.465 0.05 .
69 . 10 ILE H H 8.689 0.02 .
70 . 10 ILE CA C 61.850 0.05 .
71 . 10 ILE HA H 4.085 0.02 .
72 . 10 ILE CB C 37.770 0.05 .
73 . 10 ILE HB H 1.988 0.02 .
74 . 10 ILE HG13 H 1.410 0.02 .
75 . 10 ILE HG12 H 1.305 0.02 .
76 . 10 ILE HD1 H 0.850 0.02 .
77 . 10 ILE HG2 H 0.875 0.02 .
78 . 11 ALA N N 123.815 0.05 .
79 . 11 ALA H H 8.168 0.02 .
80 . 11 ALA CA C 55.860 0.05 .
81 . 11 ALA HA H 3.855 0.02 .
82 . 11 ALA CB C 18.010 0.05 .
83 . 11 ALA HB H 1.400 0.02 .
84 . 12 GLU N N 119.074 0.05 .
85 . 12 GLU H H 7.968 0.02 .
86 . 12 GLU CA C 59.070 0.05 .
87 . 12 GLU HA H 4.010 0.02 .
88 . 12 GLU CB C 29.377 0.05 .
89 . 12 GLU HB3 H 2.000 0.02 .
90 . 12 GLU HB2 H 1.950 0.02 .
91 . 12 GLU HG3 H 2.250 0.02 .
92 . 12 GLU HG2 H 2.210 0.02 .
93 . 13 ALA N N 122.502 0.05 .
94 . 13 ALA H H 7.980 0.02 .
95 . 13 ALA CA C 54.967 0.05 .
96 . 13 ALA HA H 4.015 0.02 .
97 . 13 ALA CB C 17.800 0.05 .
98 . 13 ALA HB H 1.340 0.02 .
99 . 14 VAL N N 118.260 0.05 .
100 . 14 VAL H H 8.449 0.02 .
101 . 14 VAL CA C 66.500 0.05 .
102 . 14 VAL HA H 3.515 0.02 .
103 . 14 VAL CB C 31.380 0.05 .
104 . 14 VAL HB H 2.110 0.02 .
105 . 14 VAL HG1 H 1.115 0.02 .
106 . 14 VAL HG2 H 0.970 0.02 .
107 . 15 GLN N N 123.374 0.05 .
108 . 15 GLN H H 8.100 0.02 .
109 . 15 GLN CA C 59.560 0.05 .
110 . 15 GLN HA H 4.115 0.02 .
111 . 15 GLN CB C 28.163 0.05 .
112 . 15 GLN HB3 H 2.210 0.02 .
113 . 15 GLN HB2 H 2.175 0.02 .
114 . 15 GLN HG3 H 2.425 0.02 .
115 . 15 GLN HG2 H 2.345 0.02 .
116 . 15 GLN HE21 H 7.020 0.02 .
117 . 15 GLN HE22 H 7.445 0.02 .
118 . 16 GLN N N 118.229 0.05 .
119 . 16 GLN H H 7.976 0.02 .
120 . 16 GLN CA C 58.697 0.05 .
121 . 16 GLN HA H 4.085 0.02 .
122 . 16 GLN CB C 28.170 0.05 .
123 . 16 GLN HB3 H 2.070 0.02 .
124 . 16 GLN HB2 H 1.960 0.02 .
125 . 16 GLN HG3 H 2.390 0.02 .
126 . 16 GLN HG2 H 2.270 0.02 .
127 . 16 GLN HE22 H 7.240 0.02 .
128 . 17 LEU N N 122.506 0.05 .
129 . 17 LEU H H 8.157 0.02 .
130 . 17 LEU CA C 58.733 0.05 .
131 . 17 LEU HA H 4.075 0.02 .
132 . 17 LEU CB C 41.755 0.05 .
133 . 17 LEU HB3 H 1.998 0.02 .
134 . 17 LEU HB2 H 1.960 0.02 .
135 . 17 LEU HG H 2.115 0.02 .
136 . 17 LEU HD1 H 0.532 0.02 .
137 . 17 LEU HD2 H 0.385 0.02 .
138 . 18 ASN N N 119.104 0.05 .
139 . 18 ASN H H 8.741 0.02 .
140 . 18 ASN CA C 57.333 0.05 .
141 . 18 ASN HA H 4.365 0.02 .
142 . 18 ASN CB C 38.747 0.05 .
143 . 18 ASN HB3 H 2.777 0.02 .
144 . 18 ASN HB2 H 2.735 0.02 .
145 . 19 HIS N N 118.746 0.05 .
146 . 19 HIS H H 7.999 0.02 .
147 . 19 HIS CA C 59.350 0.05 .
148 . 19 HIS HA H 4.350 0.02 .
149 . 19 HIS CB C 29.773 0.05 .
150 . 19 HIS HB3 H 3.280 0.02 .
151 . 19 HIS HB2 H 3.235 0.02 .
152 . 19 HIS HD1 H 7.250 0.02 .
153 . 20 THR N N 116.205 0.05 .
154 . 20 THR H H 7.859 0.02 .
155 . 20 THR CA C 67.200 0.05 .
156 . 20 THR HA H 4.280 0.02 .
157 . 20 THR CB C 68.665 0.05 .
158 . 20 THR HB H 3.977 0.02 .
159 . 20 THR HG2 H 1.280 0.02 .
160 . 21 ILE N N 122.703 0.05 .
161 . 21 ILE H H 8.586 0.02 .
162 . 21 ILE CA C 66.420 0.05 .
163 . 21 ILE HA H 3.465 0.02 .
164 . 21 ILE CB C 37.570 0.05 .
165 . 21 ILE HB H 2.062 0.02 .
166 . 21 ILE HG12 H 1.015 0.02 .
167 . 21 ILE HD1 H 0.853 0.02 .
168 . 22 VAL N N 119.977 0.05 .
169 . 22 VAL H H 8.197 0.02 .
170 . 22 VAL CA C 66.613 0.05 .
171 . 22 VAL HA H 4.350 0.02 .
172 . 22 VAL CB C 31.485 0.05 .
173 . 22 VAL HB H 2.077 0.02 .
174 . 22 VAL HG1 H 1.025 0.02 .
175 . 22 VAL HG2 H 0.850 0.02 .
176 . 23 ASN N N 119.097 0.05 .
177 . 23 ASN H H 7.608 0.02 .
178 . 23 ASN CA C 56.033 0.05 .
179 . 23 ASN HA H 4.458 0.02 .
180 . 23 ASN CB C 37.730 0.05 .
181 . 23 ASN HB3 H 2.853 0.02 .
182 . 23 ASN HB2 H 2.782 0.02 .
183 . 23 ASN HD21 H 7.480 0.02 .
184 . 23 ASN HD22 H 6.500 0.02 .
185 . 24 ALA N N 124.174 0.05 .
186 . 24 ALA H H 8.645 0.02 .
187 . 24 ALA CA C 55.803 0.05 .
188 . 24 ALA HA H 3.848 0.02 .
189 . 24 ALA CB C 18.113 0.05 .
190 . 24 ALA HB H 1.398 0.02 .
191 . 25 ALA N N 118.720 0.05 .
192 . 25 ALA H H 8.668 0.02 .
193 . 25 ALA CA C 55.107 0.05 .
194 . 25 ALA HA H 3.843 0.02 .
195 . 25 ALA CB C 17.707 0.05 .
196 . 25 ALA HB H 1.477 0.02 .
197 . 26 HIS N N 115.889 0.05 .
198 . 26 HIS H H 7.971 0.02 .
199 . 26 HIS CA C 58.703 0.05 .
200 . 26 HIS HA H 4.420 0.02 .
201 . 26 HIS CB C 29.270 0.05 .
202 . 26 HIS HB3 H 3.363 0.02 .
203 . 26 HIS HB2 H 3.330 0.02 .
204 . 26 HIS HD1 H 7.870 0.02 .
205 . 26 HIS HE1 H 7.190 0.02 .
206 . 27 GLU N N 120.040 0.05 .
207 . 27 GLU H H 8.014 0.02 .
208 . 27 GLU CA C 57.833 0.05 .
209 . 27 GLU HA H 4.067 0.02 .
210 . 27 GLU CB C 29.310 0.05 .
211 . 27 GLU HB3 H 2.180 0.02 .
212 . 27 GLU HB2 H 2.065 0.02 .
213 . 27 GLU HG3 H 2.480 0.02 .
214 . 27 GLU HG2 H 2.440 0.02 .
215 . 28 LEU N N 116.069 0.05 .
216 . 28 LEU H H 7.647 0.02 .
217 . 28 LEU CA C 57.905 0.05 .
218 . 28 LEU HA H 3.838 0.02 .
219 . 28 LEU CB C 41.930 0.05 .
220 . 28 LEU HB3 H 2.037 0.02 .
221 . 28 LEU HB2 H 1.990 0.02 .
222 . 28 LEU HG H 1.893 0.02 .
223 . 28 LEU HD1 H 0.816 0.02 .
224 . 28 LEU HD2 H 0.704 0.02 .
225 . 29 HIS N N 116.209 0.05 .
226 . 29 HIS H H 7.724 0.02 .
227 . 29 HIS CA C 59.257 0.05 .
228 . 29 HIS HA H 4.120 0.02 .
229 . 29 HIS CB C 28.933 0.05 .
230 . 29 HIS HB3 H 3.220 0.02 .
231 . 29 HIS HB2 H 3.197 0.02 .
232 . 29 HIS HD1 H 7.710 0.02 .
233 . 29 HIS HE1 H 7.190 0.02 .
234 . 30 GLU N N 118.378 0.05 .
235 . 30 GLU H H 8.058 0.02 .
236 . 30 GLU CA C 57.800 0.05 .
237 . 30 GLU HA H 4.090 0.02 .
238 . 30 GLU CB C 29.303 0.05 .
239 . 30 GLU HB3 H 2.147 0.02 .
240 . 30 GLU HB2 H 2.030 0.02 .
241 . 30 GLU HG3 H 2.430 0.02 .
242 . 30 GLU HG2 H 2.410 0.02 .
243 . 31 THR N N 110.465 0.05 .
244 . 31 THR H H 7.804 0.02 .
245 . 31 THR CA C 65.200 0.05 .
246 . 31 THR HA H 4.100 0.02 .
247 . 31 THR CB C 68.940 0.05 .
248 . 31 THR HB H 3.797 0.02 .
249 . 31 THR HG2 H 1.270 0.02 .
250 . 32 LEU N N 118.451 0.05 .
251 . 32 LEU H H 7.178 0.02 .
252 . 32 LEU CA C 56.360 0.05 .
253 . 32 LEU HA H 4.075 0.02 .
254 . 32 LEU CB C 40.585 0.05 .
255 . 32 LEU HB3 H 1.583 0.02 .
256 . 32 LEU HB2 H 1.570 0.02 .
257 . 32 LEU HD1 H 0.877 0.02 .
258 . 32 LEU HD2 H 0.780 0.02 .
259 . 33 GLY N N 104.729 0.05 .
260 . 33 GLY H H 7.636 0.02 .
261 . 33 GLY CA C 44.867 0.05 .
262 . 33 GLY HA3 H 4.200 0.02 .
263 . 33 GLY HA2 H 3.740 0.02 .
264 . 34 LEU N N 121.406 0.05 .
265 . 34 LEU H H 7.168 0.02 .
266 . 34 LEU CA C 54.220 0.05 .
267 . 34 LEU HA H 4.525 0.02 .
268 . 34 LEU CB C 40.540 0.05 .
269 . 34 LEU HD2 H 0.870 0.02 .
270 . 34 LEU HD1 H 0.950 0.02 .
271 . 35 PRO CA C 65.210 0.05 .
272 . 35 PRO CB C 32.310 0.05 .
273 . 35 PRO HB3 H 2.290 0.02 .
274 . 35 PRO HB2 H 2.160 0.02 .
275 . 35 PRO HG3 H 2.110 0.02 .
276 . 35 PRO HG2 H 2.070 0.02 .
277 . 35 PRO HD3 H 3.870 0.02 .
278 . 35 PRO HD2 H 3.740 0.02 .
279 . 36 THR N N 106.631 0.05 .
280 . 36 THR H H 7.187 0.02 .
281 . 36 THR CA C 57.970 0.05 .
282 . 36 THR HA H 4.925 0.02 .
283 . 36 THR CB C 70.250 0.05 .
284 . 36 THR HB H 4.443 0.02 .
285 . 36 THR HG2 H 1.270 0.02 .
286 . 37 PRO CA C 64.485 0.05 .
287 . 37 PRO CB C 31.855 0.05 .
288 . 37 PRO HB3 H 2.340 0.02 .
289 . 37 PRO HB2 H 2.150 0.02 .
290 . 37 PRO HG3 H 2.080 0.02 .
291 . 37 PRO HG2 H 2.040 0.02 .
292 . 37 PRO HD3 H 3.940 0.02 .
293 . 37 PRO HD2 H 3.840 0.02 .
294 . 38 ASP N N 116.528 0.05 .
295 . 38 ASP H H 8.317 0.02 .
296 . 38 ASP CA C 57.117 0.05 .
297 . 38 ASP HA H 4.357 0.02 .
298 . 38 ASP CB C 40.293 0.05 .
299 . 38 ASP HB3 H 2.600 0.02 .
300 . 38 ASP HB2 H 2.550 0.02 .
301 . 39 GLU N N 119.226 0.05 .
302 . 39 GLU H H 7.725 0.02 .
303 . 39 GLU CA C 59.130 0.05 .
304 . 39 GLU HA H 4.093 0.02 .
305 . 39 GLU CB C 30.000 0.05 .
306 . 39 GLU HB3 H 2.080 0.02 .
307 . 39 GLU HB2 H 2.037 0.02 .
308 . 39 GLU HG3 H 2.307 0.02 .
309 . 39 GLU HG2 H 2.267 0.02 .
310 . 40 ALA N N 122.489 0.05 .
311 . 40 ALA H H 7.455 0.02 .
312 . 40 ALA CA C 55.287 0.05 .
313 . 40 ALA HA H 3.970 0.02 .
314 . 40 ALA CB C 19.303 0.05 .
315 . 40 ALA HB H 1.530 0.02 .
316 . 41 LEU N N 118.450 0.05 .
317 . 41 LEU H H 8.511 0.02 .
318 . 41 LEU CA C 58.233 0.05 .
319 . 41 LEU HA H 3.930 0.02 .
320 . 41 LEU CB C 41.707 0.05 .
321 . 41 LEU HB3 H 1.575 0.02 .
322 . 41 LEU HB2 H 1.510 0.02 .
323 . 41 LEU HG H 1.920 0.02 .
324 . 41 LEU HD1 H 0.877 0.02 .
325 . 41 LEU HD2 H 0.790 0.02 .
326 . 42 ASN N N 119.161 0.05 .
327 . 42 ASN H H 8.174 0.02 .
328 . 42 ASN CA C 56.537 0.05 .
329 . 42 ASN HA H 4.390 0.02 .
330 . 42 ASN CB C 38.190 0.05 .
331 . 42 ASN HB3 H 2.838 0.02 .
332 . 42 ASN HB2 H 2.810 0.02 .
333 . 43 LEU N N 121.223 0.05 .
334 . 43 LEU H H 7.714 0.02 .
335 . 43 LEU CA C 57.977 0.05 .
336 . 43 LEU HA H 4.268 0.02 .
337 . 43 LEU CB C 41.905 0.05 .
338 . 43 LEU HB3 H 1.720 0.02 .
339 . 43 LEU HB2 H 1.690 0.02 .
340 . 43 LEU HG H 1.867 0.02 .
341 . 43 LEU HD2 H 0.788 0.02 .
342 . 43 LEU HD1 H 0.890 0.02 .
343 . 44 LEU N N 117.844 0.05 .
344 . 44 LEU H H 8.460 0.02 .
345 . 44 LEU CA C 58.083 0.05 .
346 . 44 LEU HA H 4.470 0.02 .
347 . 44 LEU CB C 42.523 0.05 .
348 . 44 LEU HB3 H 1.860 0.02 .
349 . 44 LEU HB2 H 1.830 0.02 .
350 . 44 LEU HG H 1.720 0.02 .
351 . 44 LEU HD1 H 0.880 0.02 .
352 . 44 LEU HD2 H 0.790 0.02 .
353 . 45 THR N N 115.488 0.05 .
354 . 45 THR H H 8.571 0.02 .
355 . 45 THR CA C 67.127 0.05 .
356 . 45 THR HA H 3.875 0.02 .
357 . 45 THR CB C 68.617 0.05 .
358 . 45 THR HB H 3.833 0.02 .
359 . 45 THR HG2 H 1.228 0.02 .
360 . 46 GLU N N 121.787 0.05 .
361 . 46 GLU H H 8.080 0.02 .
362 . 46 GLU CA C 59.753 0.05 .
363 . 46 GLU HA H 4.380 0.02 .
364 . 46 GLU CB C 29.815 0.05 .
365 . 46 GLU HB3 H 2.240 0.02 .
366 . 46 GLU HB2 H 2.155 0.02 .
367 . 46 GLU HG3 H 2.390 0.02 .
368 . 46 GLU HG2 H 2.390 0.02 .
369 . 47 GLN N N 116.996 0.05 .
370 . 47 GLN H H 8.623 0.02 .
371 . 47 GLN CA C 57.420 0.05 .
372 . 47 GLN HA H 4.120 0.02 .
373 . 47 GLN CB C 27.237 0.05 .
374 . 47 GLN HB3 H 2.145 0.02 .
375 . 47 GLN HB2 H 1.890 0.02 .
376 . 47 GLN HG3 H 2.265 0.02 .
377 . 47 GLN HG2 H 2.255 0.02 .
378 . 47 GLN HE21 H 7.550 0.02 .
379 . 47 GLN HE22 H 6.750 0.02 .
380 . 48 ALA N N 125.152 0.05 .
381 . 48 ALA H H 9.182 0.02 .
382 . 48 ALA CA C 55.737 0.05 .
383 . 48 ALA HA H 4.130 0.02 .
384 . 48 ALA CB C 18.830 0.05 .
385 . 48 ALA HB H 1.583 0.02 .
386 . 49 ASN N N 116.694 0.05 .
387 . 49 ASN H H 8.113 0.02 .
388 . 49 ASN CA C 56.340 0.05 .
389 . 49 ASN HA H 3.790 0.02 .
390 . 49 ASN CB C 38.110 0.05 .
391 . 49 ASN HB3 H 2.930 0.02 .
392 . 49 ASN HB2 H 2.850 0.02 .
393 . 49 ASN HD21 H 7.587 0.02 .
394 . 49 ASN HD22 H 6.973 0.02 .
395 . 50 ALA N N 124.239 0.05 .
396 . 50 ALA H H 8.107 0.02 .
397 . 50 ALA CA C 55.433 0.05 .
398 . 50 ALA HA H 4.186 0.02 .
399 . 50 ALA CB C 17.870 0.05 .
400 . 50 ALA HB H 1.563 0.02 .
401 . 51 PHE N N 119.596 0.05 .
402 . 51 PHE H H 8.218 0.02 .
403 . 51 PHE CA C 61.977 0.05 .
404 . 51 PHE HA H 4.310 0.02 .
405 . 51 PHE CB C 39.650 0.05 .
406 . 51 PHE HB3 H 3.287 0.02 .
407 . 51 PHE HB2 H 3.147 0.02 .
408 . 51 PHE HE2 H 7.610 0.02 3
409 . 51 PHE HD2 H 7.060 0.02 3
410 . 52 LYS N N 118.271 0.05 .
411 . 52 LYS H H 8.608 0.02 .
412 . 52 LYS CA C 60.650 0.05 .
413 . 52 LYS HA H 3.652 0.02 .
414 . 52 LYS CB C 32.363 0.05 .
415 . 52 LYS HB3 H 1.990 0.02 .
416 . 52 LYS HB2 H 1.800 0.02 .
417 . 52 LYS HG3 H 1.395 0.02 .
418 . 52 LYS HG2 H 1.355 0.02 .
419 . 52 LYS HD3 H 1.610 0.02 .
420 . 52 LYS HD2 H 1.570 0.02 .
421 . 52 LYS HE3 H 3.110 0.02 .
422 . 52 LYS HE2 H 2.935 0.02 .
423 . 53 THR N N 115.864 0.05 .
424 . 53 THR H H 8.179 0.02 .
425 . 53 THR CA C 66.893 0.05 .
426 . 53 THR HA H 4.307 0.02 .
427 . 53 THR CB C 68.613 0.05 .
428 . 53 THR HB H 3.900 0.02 .
429 . 53 THR HG2 H 1.232 0.02 .
430 . 54 LYS N N 121.651 0.05 .
431 . 54 LYS H H 7.654 0.02 .
432 . 54 LYS CA C 58.400 0.05 .
433 . 54 LYS HA H 4.095 0.02 .
434 . 54 LYS CB C 31.683 0.05 .
435 . 54 LYS HB3 H 1.950 0.02 .
436 . 54 LYS HB2 H 1.680 0.02 .
437 . 54 LYS HG3 H 1.470 0.02 .
438 . 54 LYS HG2 H 1.440 0.02 .
439 . 54 LYS HD3 H 1.600 0.02 .
440 . 54 LYS HD2 H 1.575 0.02 .
441 . 54 LYS HE3 H 3.190 0.02 .
442 . 54 LYS HE2 H 2.950 0.02 .
443 . 55 ILE N N 119.186 0.05 .
444 . 55 ILE H H 8.153 0.02 .
445 . 55 ILE CA C 61.600 0.05 .
446 . 55 ILE HA H 4.070 0.02 .
447 . 55 ILE CB C 33.760 0.05 .
448 . 55 ILE HB H 1.963 0.02 .
449 . 55 ILE HG13 H 1.470 0.02 .
450 . 55 ILE HG12 H 1.065 0.02 .
451 . 55 ILE HG2 H 0.590 0.02 .
452 . 55 ILE HD1 H 0.490 0.02 .
453 . 56 ALA N N 124.198 0.05 .
454 . 56 ALA H H 8.327 0.02 .
455 . 56 ALA CA C 54.990 0.05 .
456 . 56 ALA HA H 4.260 0.02 .
457 . 56 ALA CB C 17.543 0.05 .
458 . 56 ALA HB H 1.500 0.02 .
459 . 57 GLU N N 119.961 0.05 .
460 . 57 GLU H H 7.740 0.02 .
461 . 57 GLU CA C 59.697 0.05 .
462 . 57 GLU HA H 4.060 0.02 .
463 . 57 GLU CB C 29.270 0.05 .
464 . 57 GLU HB3 H 2.592 0.02 .
465 . 57 GLU HB2 H 2.320 0.02 .
466 . 57 GLU HG3 H 2.210 0.02 .
467 . 57 GLU HG2 H 2.110 0.02 .
468 . 58 VAL N N 121.756 0.05 .
469 . 58 VAL H H 7.868 0.02 .
470 . 58 VAL CA C 66.647 0.05 .
471 . 58 VAL HA H 3.785 0.02 .
472 . 58 VAL CB C 31.670 0.05 .
473 . 58 VAL HB H 2.117 0.02 .
474 . 58 VAL HG1 H 0.610 0.02 .
475 . 58 VAL HG2 H 0.480 0.02 .
476 . 59 THR N N 113.653 0.05 .
477 . 59 THR H H 9.065 0.02 .
478 . 59 THR CA C 66.507 0.05 .
479 . 59 THR HA H 3.780 0.02 .
480 . 59 THR CB C 67.710 0.05 .
481 . 59 THR HB H 3.690 0.02 .
482 . 59 THR HG2 H 1.210 0.02 .
483 . 60 THR N N 120.934 0.05 .
484 . 60 THR H H 8.295 0.02 .
485 . 60 THR CA C 67.430 0.05 .
486 . 60 THR HA H 4.340 0.02 .
487 . 60 THR CB C 68.390 0.05 .
488 . 60 THR HB H 3.903 0.02 .
489 . 60 THR HG2 H 1.217 0.02 .
490 . 61 SER N N 118.266 0.05 .
491 . 61 SER H H 7.920 0.02 .
492 . 61 SER CA C 62.563 0.05 .
493 . 61 SER HA H 4.320 0.02 .
494 . 61 SER CB C 66.830 0.05 .
495 . 61 SER HB3 H 4.130 0.02 .
496 . 61 SER HB2 H 4.067 0.02 .
497 . 62 LEU N N 122.499 0.05 .
498 . 62 LEU H H 8.237 0.02 .
499 . 62 LEU CA C 58.113 0.05 .
500 . 62 LEU HA H 4.150 0.02 .
501 . 62 LEU CB C 42.560 0.05 .
502 . 62 LEU HB3 H 1.980 0.02 .
503 . 62 LEU HB2 H 1.930 0.02 .
504 . 62 LEU HG H 1.890 0.02 .
505 . 62 LEU HD2 H 0.682 0.02 .
506 . 62 LEU HD1 H 0.890 0.02 .
507 . 63 LYS N N 119.578 0.05 .
508 . 63 LYS H H 8.124 0.02 .
509 . 63 LYS CA C 59.793 0.05 .
510 . 63 LYS HA H 3.933 0.02 .
511 . 63 LYS CB C 31.893 0.05 .
512 . 63 LYS HB3 H 1.960 0.02 .
513 . 63 LYS HB2 H 1.910 0.02 .
514 . 63 LYS HG3 H 1.470 0.02 .
515 . 63 LYS HG2 H 1.450 0.02 .
516 . 63 LYS HD3 H 1.660 0.02 .
517 . 63 LYS HD2 H 1.600 0.02 .
518 . 64 GLN N N 118.282 0.05 .
519 . 64 GLN H H 7.979 0.02 .
520 . 64 GLN CA C 58.700 0.05 .
521 . 64 GLN HA H 4.210 0.02 .
522 . 64 GLN CB C 28.140 0.05 .
523 . 64 GLN HB3 H 2.100 0.02 .
524 . 64 GLN HB2 H 1.970 0.02 .
525 . 64 GLN HE21 H 7.590 0.02 .
526 . 64 GLN HE22 H 7.390 0.02 .
527 . 64 GLN HG2 H 2.570 0.02 2
528 . 65 GLU N N 120.467 0.05 .
529 . 65 GLU H H 8.038 0.02 .
530 . 65 GLU CA C 58.433 0.05 .
531 . 65 GLU HA H 4.070 0.02 .
532 . 65 GLU CB C 28.583 0.05 .
533 . 65 GLU HB3 H 2.110 0.02 .
534 . 65 GLU HB2 H 2.075 0.02 .
535 . 65 GLU HG3 H 2.283 0.02 .
536 . 65 GLU HG2 H 2.270 0.02 .
537 . 66 ALA N N 120.984 0.05 .
538 . 66 ALA H H 8.305 0.02 .
539 . 66 ALA CA C 55.967 0.05 .
540 . 66 ALA HA H 3.817 0.02 .
541 . 66 ALA CB C 18.453 0.05 .
542 . 66 ALA HB H 1.577 0.02 .
543 . 67 GLU N N 112.491 0.05 .
544 . 67 GLU H H 7.234 0.02 .
545 . 67 GLU CA C 57.930 0.05 .
546 . 67 GLU HA H 4.080 0.02 .
547 . 67 GLU CB C 29.937 0.05 .
548 . 67 GLU HB3 H 2.115 0.02 .
549 . 67 GLU HB2 H 2.080 0.02 .
550 . 67 GLU HG3 H 2.557 0.02 .
551 . 67 GLU HG2 H 2.343 0.02 .
552 . 68 LYS N N 116.670 0.05 .
553 . 68 LYS H H 7.608 0.02 .
554 . 68 LYS CA C 56.760 0.05 .
555 . 68 LYS HA H 4.060 0.02 .
556 . 68 LYS CB C 32.623 0.05 .
557 . 68 LYS HB3 H 1.590 0.02 .
558 . 68 LYS HB2 H 1.473 0.02 .
559 . 68 LYS HG3 H 1.280 0.02 .
560 . 68 LYS HG2 H 1.260 0.02 .
561 . 68 LYS HD3 H 1.437 0.02 .
562 . 68 LYS HD2 H 1.440 0.02 .
563 . 68 LYS HE3 H 3.100 0.02 .
564 . 68 LYS HE2 H 2.885 0.02 .
565 . 69 HIS N N 117.561 0.05 .
566 . 69 HIS H H 7.415 0.02 .
567 . 69 HIS CA C 55.003 0.05 .
568 . 69 HIS HA H 4.733 0.02 .
569 . 69 HIS CB C 33.700 0.05 .
570 . 69 HIS HB3 H 3.097 0.02 .
571 . 69 HIS HB2 H 2.477 0.02 .
572 . 69 HIS HD2 H 7.510 0.02 .
573 . 69 HIS HE1 H 7.320 0.02 .
574 . 70 GLN N N 116.344 0.05 .
575 . 70 GLN H H 8.403 0.02 .
576 . 70 GLN CA C 54.650 0.05 .
577 . 70 GLN HA H 4.650 0.02 .
578 . 70 GLN CB C 31.733 0.05 .
579 . 70 GLN HB3 H 2.150 0.02 .
580 . 70 GLN HB2 H 1.977 0.02 .
581 . 70 GLN HG3 H 2.470 0.02 .
582 . 70 GLN HG2 H 2.327 0.02 .
583 . 70 GLN HE21 H 7.190 0.02 .
584 . 70 GLN HE22 H 8.210 0.02 .
585 . 71 GLY N N 108.594 0.05 .
586 . 71 GLY H H 8.645 0.02 .
587 . 71 GLY CA C 45.903 0.05 .
588 . 71 GLY HA3 H 4.145 0.02 .
589 . 71 GLY HA2 H 3.850 0.02 .
590 . 72 SER N N 118.712 0.05 .
591 . 72 SER H H 7.979 0.02 .
592 . 72 SER CA C 61.615 0.05 .
593 . 72 SER HA H 4.025 0.02 .
594 . 72 SER CB C 62.777 0.05 .
595 . 72 SER HB3 H 3.865 0.02 .
596 . 72 SER HB2 H 3.830 0.02 .
597 . 73 VAL N N 121.301 0.05 .
598 . 73 VAL H H 8.011 0.02 .
599 . 73 VAL CA C 65.823 0.05 .
600 . 73 VAL HA H 4.710 0.02 .
601 . 73 VAL CB C 31.327 0.05 .
602 . 73 VAL HB H 3.225 0.02 .
603 . 73 VAL HG1 H 0.125 0.02 .
604 . 74 ALA N N 120.919 0.05 .
605 . 74 ALA H H 6.684 0.02 .
606 . 74 ALA CA C 55.390 0.05 .
607 . 74 ALA HA H 3.825 0.02 .
608 . 74 ALA CB C 18.553 0.05 .
609 . 74 ALA HB H 1.324 0.02 .
610 . 75 GLU N N 116.546 0.05 .
611 . 75 GLU H H 7.807 0.02 .
612 . 75 GLU CA C 59.270 0.05 .
613 . 75 GLU HA H 4.033 0.02 .
614 . 75 GLU CB C 29.570 0.05 .
615 . 75 GLU HB3 H 2.070 0.02 .
616 . 75 GLU HB2 H 2.040 0.02 .
617 . 75 GLU HG3 H 2.315 0.02 .
618 . 75 GLU HG2 H 2.190 0.02 .
619 . 76 GLN N N 121.663 0.05 .
620 . 76 GLN H H 7.858 0.02 .
621 . 76 GLN CA C 58.663 0.05 .
622 . 76 GLN HA H 3.710 0.02 .
623 . 76 GLN CB C 28.993 0.05 .
624 . 76 GLN HB3 H 1.045 0.02 .
625 . 76 GLN HB2 H 1.980 0.02 .
626 . 76 GLN HG3 H 2.330 0.02 .
627 . 76 GLN HG2 H 2.300 0.02 .
628 . 77 LEU N N 121.355 0.05 .
629 . 77 LEU H H 8.477 0.02 .
630 . 77 LEU CA C 58.470 0.05 .
631 . 77 LEU HA H 4.147 0.02 .
632 . 77 LEU CB C 42.575 0.05 .
633 . 77 LEU HB3 H 1.600 0.02 .
634 . 77 LEU HB2 H 1.570 0.02 .
635 . 77 LEU HG H 1.550 0.02 .
636 . 77 LEU HD1 H 0.940 0.02 .
637 . 77 LEU HD2 H -0.020 0.02 .
638 . 78 ASN N N 117.100 0.05 .
639 . 78 ASN H H 8.218 0.02 .
640 . 78 ASN CA C 56.793 0.05 .
641 . 78 ASN HA H 4.334 0.02 .
642 . 78 ASN CB C 38.690 0.05 .
643 . 78 ASN HB3 H 2.805 0.02 .
644 . 78 ASN HB2 H 2.605 0.02 .
645 . 78 ASN HD21 H 7.170 0.02 .
646 . 78 ASN HD22 H 6.880 0.02 .
647 . 79 ALA N N 122.997 0.05 .
648 . 79 ALA H H 8.095 0.02 .
649 . 79 ALA CA C 55.390 0.05 .
650 . 79 ALA HA H 4.030 0.02 .
651 . 79 ALA CB C 17.850 0.05 .
652 . 79 ALA HB H 1.470 0.02 .
653 . 80 PHE N N 119.166 0.05 .
654 . 80 PHE H H 8.167 0.02 .
655 . 80 PHE CA C 58.763 0.05 .
656 . 80 PHE HA H 4.506 0.02 .
657 . 80 PHE CB C 38.940 0.05 .
658 . 80 PHE HB3 H 3.293 0.02 .
659 . 80 PHE HB2 H 3.017 0.02 .
660 . 80 PHE HZ H 7.260 0.02 .
661 . 80 PHE HE2 H 7.320 0.02 2
662 . 80 PHE HD2 H 7.070 0.02 2
663 . 81 ALA N N 120.072 0.05 .
664 . 81 ALA H H 8.188 0.02 .
665 . 81 ALA CA C 55.377 0.05 .
666 . 81 ALA HA H 3.540 0.02 .
667 . 81 ALA CB C 18.393 0.05 .
668 . 81 ALA HB H 1.460 0.02 .
669 . 82 ARG N N 117.729 0.05 .
670 . 82 ARG H H 7.932 0.02 .
671 . 82 ARG CA C 59.390 0.05 .
672 . 82 ARG HA H 3.980 0.02 .
673 . 82 ARG CB C 30.017 0.05 .
674 . 82 ARG HB3 H 1.895 0.02 .
675 . 82 ARG HB2 H 1.740 0.02 .
676 . 82 ARG HG3 H 1.493 0.02 .
677 . 82 ARG HG2 H 1.450 0.02 .
678 . 82 ARG HD3 H 3.550 0.02 .
679 . 82 ARG HD2 H 3.350 0.02 .
680 . 83 ASN N N 119.570 0.05 .
681 . 83 ASN H H 8.562 0.02 .
682 . 83 ASN CA C 55.593 0.05 .
683 . 83 ASN HA H 4.393 0.02 .
684 . 83 ASN CB C 37.063 0.05 .
685 . 83 ASN HB3 H 2.910 0.02 .
686 . 83 ASN HB2 H 2.705 0.02 .
687 . 83 ASN HD21 H 7.560 0.02 .
688 . 83 ASN HD22 H 6.935 0.02 .
689 . 84 LEU N N 122.996 0.05 .
690 . 84 LEU H H 8.420 0.02 .
691 . 84 LEU CA C 58.163 0.05 .
692 . 84 LEU HA H 3.867 0.02 .
693 . 84 LEU CB C 42.157 0.05 .
694 . 84 LEU HB3 H 1.550 0.02 .
695 . 84 LEU HB2 H 1.470 0.02 .
696 . 84 LEU HG H 1.520 0.02 .
697 . 84 LEU HD2 H 0.165 0.02 .
698 . 84 LEU HD1 H 0.600 0.02 .
699 . 85 ASN N N 117.774 0.05 .
700 . 85 ASN H H 7.937 0.02 .
701 . 85 ASN CA C 56.297 0.05 .
702 . 85 ASN HA H 4.340 0.02 .
703 . 85 ASN CB C 38.547 0.05 .
704 . 85 ASN HB3 H 2.840 0.02 .
705 . 85 ASN HB2 H 2.790 0.02 .
706 . 85 ASN HD21 H 7.480 0.02 .
707 . 85 ASN HD22 H 6.840 0.02 .
708 . 86 ASN N N 117.819 0.05 .
709 . 86 ASN H H 8.472 0.02 .
710 . 86 ASN CA C 55.290 0.05 .
711 . 86 ASN HA H 4.195 0.02 .
712 . 86 ASN CB C 37.987 0.05 .
713 . 86 ASN HB3 H 2.900 0.02 .
714 . 86 ASN HB2 H 2.790 0.02 .
715 . 86 ASN HD21 H 7.530 0.02 .
716 . 86 ASN HD22 H 6.817 0.02 .
717 . 87 SER N N 115.206 0.05 .
718 . 87 SER H H 7.822 0.02 .
719 . 87 SER CA C 61.963 0.05 .
720 . 87 SER HA H 4.333 0.02 .
721 . 87 SER CB C 63.827 0.05 .
722 . 87 SER HB3 H 4.195 0.02 .
723 . 87 SER HB2 H 3.903 0.02 .
724 . 88 ILE N N 112.004 0.05 .
725 . 88 ILE H H 7.090 0.02 .
726 . 88 ILE CA C 60.683 0.05 .
727 . 88 ILE HA H 4.490 0.02 .
728 . 88 ILE CB C 38.757 0.05 .
729 . 88 ILE HB H 2.080 0.02 .
730 . 88 ILE HG13 H 1.400 0.02 .
731 . 88 ILE HG12 H 1.280 0.02 .
732 . 88 ILE HD1 H 0.750 0.02 .
733 . 88 ILE HG2 H 0.900 0.02 .
734 . 89 HIS N N 121.777 0.05 .
735 . 89 HIS H H 7.684 0.02 .
736 . 89 HIS CA C 57.690 0.05 .
737 . 89 HIS HA H 4.460 0.02 .
738 . 89 HIS CB C 29.987 0.05 .
739 . 89 HIS HB3 H 3.190 0.02 .
740 . 89 HIS HB2 H 3.150 0.02 .
741 . 89 HIS HD2 H 7.550 0.02 .
742 . 89 HIS HE1 H 7.060 0.02 .
743 . 90 ASP N N 120.994 0.05 .
744 . 90 ASP H H 8.329 0.02 .
745 . 90 ASP CA C 54.170 0.05 .
746 . 90 ASP HA H 4.560 0.02 .
747 . 90 ASP CB C 41.193 0.05 .
748 . 90 ASP HB3 H 2.690 0.02 .
749 . 90 ASP HB2 H 2.510 0.02 .
750 . 91 ALA N N 123.848 0.05 .
751 . 91 ALA H H 7.944 0.02 .
752 . 91 ALA CA C 52.600 0.05 .
753 . 91 ALA HA H 4.210 0.02 .
754 . 91 ALA CB C 19.110 0.05 .
755 . 91 ALA HB H 1.350 0.02 .
756 . 92 ALA N N 121.828 0.05 .
757 . 92 ALA H H 8.344 0.02 .
758 . 92 ALA CA C 52.277 0.05 .
759 . 92 ALA HA H 4.367 0.02 .
760 . 92 ALA CB C 19.243 0.05 .
761 . 92 ALA HB H 1.350 0.02 .
762 . 93 THR N N 112.525 0.05 .
763 . 93 THR H H 8.076 0.02 .
764 . 93 THR CA C 61.673 0.05 .
765 . 93 THR HA H 4.350 0.02 .
766 . 93 THR CB C 69.560 0.05 .
767 . 93 THR HB H 4.220 0.02 .
768 . 93 THR HG2 H 1.340 0.02 .
769 . 94 SER N N 117.651 0.05 .
770 . 94 SER H H 8.104 0.02 .
771 . 94 SER CA C 58.117 0.05 .
772 . 94 SER HA H 4.470 0.02 .
773 . 94 SER CB C 64.063 0.05 .
774 . 94 SER HB3 H 3.820 0.02 .
775 . 94 SER HB2 H 3.757 0.02 .
776 . 95 LEU N N 122.642 0.05 .
777 . 95 LEU H H 8.446 0.02 .
778 . 95 LEU CA C 54.820 0.05 .
779 . 95 LEU HA H 4.460 0.02 .
780 . 95 LEU CB C 42.267 0.05 .
781 . 95 LEU HB3 H 1.642 0.02 .
782 . 95 LEU HB2 H 1.630 0.02 .
783 . 95 LEU HG H 1.590 0.02 .
784 . 95 LEU HD1 H 0.860 0.02 .
785 . 95 LEU HD2 H 0.790 0.02 .
786 . 96 ASN N N 116.770 0.05 .
787 . 96 ASN H H 7.977 0.02 .
788 . 96 ASN CA C 52.260 0.05 .
789 . 96 ASN HA H 4.400 0.02 .
790 . 96 ASN CB C 40.250 0.05 .
791 . 96 ASN HB3 H 2.866 0.02 .
792 . 96 ASN HB2 H 2.700 0.02 .
793 . 96 ASN HD21 H 7.482 0.02 .
794 . 96 ASN HD22 H 6.980 0.02 .
795 . 97 LEU N N 123.521 0.05 .
796 . 97 LEU H H 8.802 0.02 .
797 . 97 LEU CA C 59.103 0.05 .
798 . 97 LEU HA H 4.705 0.02 .
799 . 97 LEU CB C 41.795 0.05 .
800 . 97 LEU HB3 H 1.530 0.02 .
801 . 97 LEU HB2 H 1.460 0.02 .
802 . 97 LEU HG H 1.750 0.02 .
803 . 97 LEU HD1 H 0.887 0.02 .
804 . 97 LEU HD2 H 0.788 0.02 .
805 . 98 GLN N N 117.463 0.05 .
806 . 98 GLN H H 8.354 0.02 .
807 . 98 GLN CA C 59.490 0.05 .
808 . 98 GLN HA H 3.823 0.02 .
809 . 98 GLN CB C 27.973 0.05 .
810 . 98 GLN HB3 H 2.083 0.02 .
811 . 98 GLN HB2 H 2.037 0.02 .
812 . 98 GLN HG3 H 2.415 0.02 .
813 . 98 GLN HG2 H 2.340 0.02 .
814 . 98 GLN HE21 H 7.440 0.02 .
815 . 98 GLN HE22 H 6.960 0.02 .
816 . 99 ASP N N 119.110 0.05 .
817 . 99 ASP H H 8.230 0.02 .
818 . 99 ASP CA C 57.177 0.05 .
819 . 99 ASP HA H 4.483 0.02 .
820 . 99 ASP CB C 40.310 0.05 .
821 . 99 ASP HB3 H 2.743 0.02 .
822 . 99 ASP HB2 H 2.683 0.02 .
823 . 100 GLN N N 121.693 0.05 .
824 . 100 GLN H H 8.427 0.02 .
825 . 100 GLN CA C 58.418 0.05 .
826 . 100 GLN HA H 4.185 0.02 .
827 . 100 GLN CB C 28.745 0.05 .
828 . 100 GLN HB3 H 2.073 0.02 .
829 . 100 GLN HB2 H 2.023 0.02 .
830 . 100 GLN HG3 H 2.225 0.02 .
831 . 100 GLN HG2 H 2.218 0.02 .
832 . 100 GLN HE21 H 7.970 0.02 .
833 . 100 GLN HE22 H 6.920 0.02 .
834 . 101 LEU N N 122.227 0.05 .
835 . 101 LEU H H 8.557 0.02 .
836 . 101 LEU CA C 59.267 0.05 .
837 . 101 LEU HA H 3.848 0.02 .
838 . 101 LEU CB C 41.733 0.05 .
839 . 101 LEU HB3 H 1.610 0.02 .
840 . 101 LEU HB2 H 1.710 0.02 .
841 . 101 LEU HG H 1.490 0.02 .
842 . 101 LEU HD2 H 0.690 0.02 .
843 . 101 LEU HD1 H 0.780 0.02 .
844 . 102 ASN N N 117.441 0.05 .
845 . 102 ASN H H 8.311 0.02 .
846 . 102 ASN CA C 56.333 0.05 .
847 . 102 ASN HA H 4.444 0.02 .
848 . 102 ASN CB C 38.270 0.05 .
849 . 102 ASN HB3 H 2.930 0.02 .
850 . 102 ASN HB2 H 2.888 0.02 .
851 . 102 ASN HD21 H 7.800 0.02 .
852 . 102 ASN HD22 H 6.915 0.02 .
853 . 103 SER N N 115.879 0.05 .
854 . 103 SER H H 8.475 0.02 .
855 . 103 SER CA C 61.473 0.05 .
856 . 103 SER HA H 4.260 0.02 .
857 . 103 SER CB C 62.860 0.05 .
858 . 103 SER HB3 H 4.013 0.02 .
859 . 103 SER HB2 H 3.980 0.02 .
860 . 104 LEU N N 123.388 0.05 .
861 . 104 LEU H H 8.093 0.02 .
862 . 104 LEU CA C 57.597 0.05 .
863 . 104 LEU HA H 4.310 0.02 .
864 . 104 LEU CB C 41.670 0.05 .
865 . 104 LEU HB3 H 1.845 0.02 .
866 . 104 LEU HB2 H 1.837 0.02 .
867 . 104 LEU HG H 1.760 0.02 .
868 . 104 LEU HD1 H 0.864 0.02 .
869 . 104 LEU HD2 H 0.710 0.02 .
870 . 105 GLN N N 118.757 0.05 .
871 . 105 GLN H H 8.569 0.02 .
872 . 105 GLN CA C 60.467 0.05 .
873 . 105 GLN HA H 3.795 0.02 .
874 . 105 GLN CB C 28.670 0.05 .
875 . 105 GLN HB3 H 2.225 0.02 .
876 . 105 GLN HB2 H 2.208 0.02 .
877 . 105 GLN HG3 H 2.377 0.02 .
878 . 105 GLN HG2 H 2.350 0.02 .
879 . 106 SER N N 114.825 0.05 .
880 . 106 SER H H 8.288 0.02 .
881 . 106 SER CA C 61.650 0.05 .
882 . 106 SER HA H 4.230 0.02 .
883 . 106 SER CB C 62.735 0.05 .
884 . 106 SER HB3 H 4.053 0.02 .
885 . 106 SER HB2 H 3.975 0.02 .
886 . 107 ALA N N 124.647 0.05 .
887 . 107 ALA H H 8.117 0.02 .
888 . 107 ALA CA C 55.780 0.05 .
889 . 107 ALA HA H 4.350 0.02 .
890 . 107 ALA CB C 18.517 0.05 .
891 . 107 ALA HB H 1.652 0.02 .
892 . 108 LEU N N 116.682 0.05 .
893 . 108 LEU H H 8.114 0.02 .
894 . 108 LEU CA C 58.93 0.05 .
895 . 108 LEU CB C 42.085 0.05 .
896 . 108 LEU HB3 H 1.640 0.02 .
897 . 108 LEU HB2 H 1.570 0.02 .
898 . 108 LEU HG H 1.413 0.02 .
899 . 108 LEU HD1 H 0.550 0.02 .
900 . 108 LEU HD2 H 0.360 0.02 .
901 . 109 THR N N 112.674 0.05 .
902 . 109 THR H H 8.088 0.02 .
903 . 109 THR CA C 66.260 0.05 .
904 . 109 THR HA H 4.210 0.02 .
905 . 109 THR CB C 68.527 0.05 .
906 . 109 THR HB H 3.787 0.02 .
907 . 109 THR HG2 H 1.147 0.02 .
908 . 110 ASN N N 122.104 0.05 .
909 . 110 ASN H H 8.883 0.02 .
910 . 110 ASN CA C 56.540 0.05 .
911 . 110 ASN HA H 4.620 0.02 .
912 . 110 ASN CB C 37.843 0.05 .
913 . 110 ASN HB3 H 3.175 0.02 .
914 . 110 ASN HB2 H 2.950 0.02 .
915 . 110 ASN HD21 H 7.640 0.02 .
916 . 110 ASN HD22 H 7.010 0.02 .
917 . 111 VAL N N 121.947 0.05 .
918 . 111 VAL H H 8.555 0.02 .
919 . 111 VAL CA C 67.553 0.05 .
920 . 111 VAL HA H 3.740 0.02 .
921 . 111 VAL CB C 31.740 0.05 .
922 . 111 VAL HB H 2.650 0.02 .
923 . 111 VAL HG2 H 0.780 0.02 .
924 . 111 VAL HG1 H 0.875 0.02 .
925 . 112 GLY N N 106.346 0.05 .
926 . 112 GLY H H 8.315 0.02 .
927 . 112 GLY CA C 48.453 0.05 .
928 . 112 GLY HA3 H 4.097 0.02 .
929 . 112 GLY HA2 H 3.907 0.02 .
930 . 113 HIS N N 120.983 0.05 .
931 . 113 HIS H H 8.527 0.02 .
932 . 113 HIS CA C 58.840 0.05 .
933 . 113 HIS HA H 4.512 0.02 .
934 . 113 HIS CB C 29.417 0.05 .
935 . 113 HIS HB3 H 3.430 0.02 .
936 . 113 HIS HB2 H 3.368 0.02 .
937 . 113 HIS HD2 H 8.040 0.02 .
938 . 113 HIS HE1 H 7.110 0.02 .
939 . 114 GLN N N 118.752 0.05 .
940 . 114 GLN H H 8.070 0.02 .
941 . 114 GLN CA C 59.300 0.05 .
942 . 114 GLN HA H 4.320 0.02 .
943 . 114 GLN CB C 29.600 0.05 .
944 . 114 GLN HB3 H 2.140 0.02 .
945 . 114 GLN HB2 H 2.040 0.02 .
946 . 114 GLN HG3 H 2.380 0.02 .
947 . 114 GLN HG2 H 2.350 0.02 .
948 . 114 GLN HE21 H 7.540 0.02 .
949 . 114 GLN HE22 H 7.330 0.02 .
950 . 115 TRP N N 118.737 0.05 .
951 . 115 TRP H H 8.378 0.02 .
952 . 115 TRP CA C 58.533 0.05 .
953 . 115 TRP HA H 4.070 0.02 .
954 . 115 TRP CB C 28.597 0.05 .
955 . 115 TRP HB3 H 3.230 0.02 .
956 . 115 TRP HB2 H 3.210 0.02 .
957 . 115 TRP HD1 H 7.040 0.02 .
958 . 115 TRP HE3 H 7.810 0.02 .
959 . 115 TRP HZ2 H 7.300 0.02 .
960 . 115 TRP HZ3 H 6.690 0.02 .
961 . 115 TRP HH2 H 6.780 0.02 .
962 . 116 GLN N N 119.576 0.05 .
963 . 116 GLN H H 8.150 0.02 .
964 . 116 GLN CA C 59.233 0.05 .
965 . 116 GLN HA H 4.045 0.02 .
966 . 116 GLN CB C 28.323 0.05 .
967 . 116 GLN HB3 H 2.183 0.02 .
968 . 116 GLN HB2 H 2.087 0.02 .
969 . 116 GLN HG3 H 2.470 0.02 .
970 . 116 GLN HG2 H 2.260 0.02 .
971 . 116 GLN HE21 H 7.360 0.02 .
972 . 116 GLN HE22 H 7.397 0.02 .
973 . 117 ASP N N 120.120 0.05 .
974 . 117 ASP H H 7.852 0.02 .
975 . 117 ASP CA C 57.527 0.05 .
976 . 117 ASP HA H 4.338 0.02 .
977 . 117 ASP CB C 41.230 0.05 .
978 . 117 ASP HB3 H 2.690 0.02 .
979 . 117 ASP HB2 H 2.630 0.02 .
980 . 118 ILE N N 119.627 0.05 .
981 . 118 ILE H H 7.715 0.02 .
982 . 118 ILE CA C 62.617 0.05 .
983 . 118 ILE HA H 4.065 0.02 .
984 . 118 ILE CB C 36.820 0.05 .
985 . 118 ILE HB H 2.130 0.02 .
986 . 118 ILE HG13 H 1.480 0.02 .
987 . 118 ILE HG12 H 1.240 0.02 .
988 . 118 ILE HD1 H -0.040 0.02 .
989 . 118 ILE HG2 H 0.270 0.02 .
990 . 119 ALA N N 124.207 0.05 .
991 . 119 ALA H H 8.049 0.02 .
992 . 119 ALA CA C 55.327 0.05 .
993 . 119 ALA HA H 4.225 0.02 .
994 . 119 ALA CB C 18.017 0.05 .
995 . 119 ALA HB H 1.470 0.02 .
996 . 120 THR N N 114.130 0.05 .
997 . 120 THR H H 7.976 0.02 .
998 . 120 THR CA C 65.870 0.05 .
999 . 120 THR CB C 68.763 0.05 .
1000 . 120 THR HB H 3.875 0.02 .
1001 . 120 THR HG2 H 1.210 0.02 .
1002 . 121 LYS N N 121.611 0.05 .
1003 . 121 LYS H H 7.948 0.02 .
1004 . 121 LYS CA C 59.173 0.05 .
1005 . 121 LYS HA H 3.980 0.02 .
1006 . 121 LYS CB C 32.707 0.05 .
1007 . 121 LYS HB3 H 1.710 0.02 .
1008 . 121 LYS HB2 H 1.610 0.02 .
1009 . 121 LYS HG3 H 1.380 0.02 .
1010 . 121 LYS HG2 H 1.210 0.02 .
1011 . 121 LYS HD3 H 1.480 0.02 .
1012 . 121 LYS HD2 H 1.460 0.02 .
1013 . 121 LYS HE3 H 3.510 0.02 .
1014 . 121 LYS HE2 H 3.255 0.02 .
1015 . 122 THR N N 108.547 0.05 .
1016 . 122 THR H H 7.629 0.02 .
1017 . 122 THR CA C 63.757 0.05 .
1018 . 122 THR HA H 3.260 0.02 .
1019 . 122 THR CB C 69.157 0.05 .
1020 . 122 THR HB H 3.633 0.02 .
1021 . 122 THR HG2 H 0.283 0.02 .
1022 . 123 GLN N N 118.666 0.05 .
1023 . 123 GLN H H 7.178 0.02 .
1024 . 123 GLN CA C 56.590 0.05 .
1025 . 123 GLN HA H 4.215 0.02 .
1026 . 123 GLN CB C 29.593 0.05 .
1027 . 123 GLN HB3 H 2.150 0.02 .
1028 . 123 GLN HB2 H 1.985 0.02 .
1029 . 123 GLN HG3 H 2.390 0.02 .
1030 . 123 GLN HG2 H 2.315 0.02 .
1031 . 123 GLN HE21 H 7.800 0.02 .
1032 . 123 GLN HE22 H 6.840 0.02 .
1033 . 124 ALA N N 121.766 0.05 .
1034 . 124 ALA H H 7.600 0.02 .
1035 . 124 ALA CA C 52.947 0.05 .
1036 . 124 ALA HA H 4.340 0.02 .
1037 . 124 ALA CB C 19.277 0.05 .
1038 . 124 ALA HB H 1.445 0.02 .
1039 . 125 SER N N 113.116 0.05 .
1040 . 125 SER H H 7.618 0.02 .
1041 . 125 SER CA C 58.410 0.05 .
1042 . 125 SER HA H 4.508 0.02 .
1043 . 125 SER CB C 64.063 0.05 .
1044 . 125 SER HB3 H 3.945 0.02 .
1045 . 125 SER HB2 H 3.930 0.02 .
1046 . 126 ALA N N 124.713 0.05 .
1047 . 126 ALA H H 8.354 0.02 .
1048 . 126 ALA CA C 52.743 0.05 .
1049 . 126 ALA HA H 4.423 0.02 .
1050 . 126 ALA CB C 18.697 0.05 .
1051 . 126 ALA HB H 1.485 0.02 .
1052 . 127 GLN N N 120.035 0.05 .
1053 . 127 GLN H H 8.477 0.02 .
1054 . 127 GLN CA C 58.343 0.05 .
1055 . 127 GLN HA H 4.210 0.02 .
1056 . 127 GLN CB C 28.770 0.05 .
1057 . 127 GLN HB3 H 2.150 0.02 .
1058 . 127 GLN HB2 H 2.100 0.02 .
1059 . 127 GLN HG3 H 2.435 0.02 .
1060 . 127 GLN HG2 H 2.425 0.02 .
1061 . 127 GLN HE22 H 7.360 0.02 .
1062 . 128 GLU N N 119.609 0.05 .
1063 . 128 GLU H H 8.935 0.02 .
1064 . 128 GLU CA C 58.833 0.05 .
1065 . 128 GLU HA H 4.155 0.02 .
1066 . 128 GLU CB C 29.143 0.05 .
1067 . 128 GLU HB3 H 2.050 0.02 .
1068 . 128 GLU HB2 H 2.030 0.02 .
1069 . 128 GLU HG3 H 2.325 0.02 .
1070 . 128 GLU HG2 H 2.300 0.02 .
1071 . 129 ALA N N 121.783 0.05 .
1072 . 129 ALA H H 7.833 0.02 .
1073 . 129 ALA CA C 53.843 0.05 .
1074 . 129 ALA HA H 4.145 0.02 .
1075 . 129 ALA CB C 18.537 0.05 .
1076 . 129 ALA HB H 1.308 0.02 .
1077 . 130 TRP N N 114.054 0.05 .
1078 . 130 TRP H H 7.517 0.02 .
1079 . 130 TRP CA C 57.757 0.05 .
1080 . 130 TRP HA H 4.315 0.02 .
1081 . 130 TRP CB C 29.843 0.05 .
1082 . 130 TRP HB3 H 3.283 0.02 .
1083 . 130 TRP HB2 H 3.017 0.02 .
1084 . 130 TRP HD1 H 7.250 0.02 .
1085 . 130 TRP HE1 H 10.010 0.02 .
1086 . 130 TRP HE3 H 7.460 0.02 .
1087 . 130 TRP HZ2 H 7.360 0.02 .
1088 . 130 TRP HZ3 H 6.890 0.02 .
1089 . 130 TRP HH2 H 7.300 0.02 .
1090 . 131 ALA N N 125.049 0.05 .
1091 . 131 ALA H H 7.907 0.02 .
1092 . 131 ALA CA C 56.900 0.05 .
1093 . 131 ALA HA H 4.315 0.02 .
1094 . 131 ALA CB C 16.040 0.05 .
1095 . 131 ALA HB H 1.564 0.02 .
1096 . 132 PRO CA C 65.310 0.05 .
1097 . 132 PRO CB C 32.120 0.05 .
1098 . 132 PRO HG3 H 2.050 0.02 .
1099 . 132 PRO HG2 H 1.930 0.02 .
1100 . 132 PRO HD3 H 3.728 0.02 .
1101 . 132 PRO HD2 H 3.537 0.02 .
1102 . 133 VAL N N 111.215 0.05 .
1103 . 133 VAL H H 7.525 0.02 .
1104 . 133 VAL CA C 60.687 0.05 .
1105 . 133 VAL HA H 4.473 0.02 .
1106 . 133 VAL CB C 32.645 0.05 .
1107 . 133 VAL HB H 2.327 0.02 .
1108 . 133 VAL HG1 H 0.837 0.02 .
1109 . 133 VAL HG2 H 0.687 0.02 .
1110 . 134 GLN N N 120.771 0.05 .
1111 . 134 GLN H H 7.685 0.02 .
1112 . 134 GLN CA C 60.305 0.05 .
1113 . 134 GLN HA H 3.940 0.02 .
1114 . 134 GLN CB C 28.420 0.05 .
1115 . 134 GLN HB3 H 2.230 0.02 .
1116 . 134 GLN HB2 H 2.190 0.02 .
1117 . 134 GLN HG3 H 2.610 0.02 .
1118 . 134 GLN HG2 H 2.530 0.02 .
1119 . 134 GLN HE21 H 6.850 0.02 .
1120 . 134 GLN HE22 H 7.280 0.02 .
1121 . 135 SER N N 114.586 0.05 .
1122 . 135 SER H H 8.808 0.02 .
1123 . 135 SER CA C 60.160 0.05 .
1124 . 135 SER HA H 4.710 0.02 .
1125 . 135 SER CB C 62.143 0.05 .
1126 . 135 SER HB3 H 4.193 0.02 .
1127 . 135 SER HB2 H 3.945 0.02 .
1128 . 136 ALA N N 124.835 0.05 .
1129 . 136 ALA H H 7.927 0.02 .
1130 . 136 ALA CA C 54.810 0.05 .
1131 . 136 ALA HA H 4.282 0.02 .
1132 . 136 ALA CB C 17.867 0.05 .
1133 . 136 ALA HB H 1.485 0.02 .
1134 . 137 LEU N N 118.660 0.05 .
1135 . 137 LEU H H 8.289 0.02 .
1136 . 137 LEU CA C 58.193 0.05 .
1137 . 137 LEU HA H 4.273 0.02 .
1138 . 137 LEU CB C 42.710 0.05 .
1139 . 137 LEU HB3 H 1.490 0.02 .
1140 . 137 LEU HB2 H 1.465 0.02 .
1141 . 137 LEU HG H 1.900 0.02 .
1142 . 137 LEU HD1 H 0.850 0.02 .
1143 . 137 LEU HD2 H 0.695 0.02 .
1144 . 138 GLN N N 120.033 0.05 .
1145 . 138 GLN H H 8.697 0.02 .
1146 . 138 GLN CA C 59.873 0.05 .
1147 . 138 GLN HA H 3.690 0.02 .
1148 . 138 GLN CB C 27.873 0.05 .
1149 . 138 GLN HB3 H 2.180 0.02 .
1150 . 138 GLN HB2 H 2.140 0.02 .
1151 . 138 GLN HG3 H 2.260 0.02 .
1152 . 138 GLN HG2 H 2.225 0.02 .
1153 . 138 GLN HE21 H 6.740 0.02 .
1154 . 138 GLN HE22 H 7.457 0.02 .
1155 . 139 GLU N N 119.241 0.05 .
1156 . 139 GLU H H 8.139 0.02 .
1157 . 139 GLU CA C 59.327 0.05 .
1158 . 139 GLU HA H 4.074 0.02 .
1159 . 139 GLU CB C 29.673 0.05 .
1160 . 139 GLU HB3 H 2.195 0.02 .
1161 . 139 GLU HB2 H 2.130 0.02 .
1162 . 139 GLU HG3 H 2.460 0.02 .
1163 . 139 GLU HG2 H 2.290 0.02 .
1164 . 140 ALA N N 121.339 0.05 .
1165 . 140 ALA H H 8.049 0.02 .
1166 . 140 ALA CA C 54.835 0.05 .
1167 . 140 ALA HA H 4.357 0.02 .
1168 . 140 ALA CB C 18.573 0.05 .
1169 . 140 ALA HB H 1.910 0.02 .
1170 . 141 ALA N N 126.879 0.05 .
1171 . 141 ALA H H 8.750 0.02 .
1172 . 141 ALA CA C 55.283 0.05 .
1173 . 141 ALA HA H 2.805 0.02 .
1174 . 141 ALA CB C 16.567 0.05 .
1175 . 141 ALA HB H 0.690 0.02 .
1176 . 142 GLU N N 120.072 0.05 .
1177 . 142 GLU H H 8.226 0.02 .
1178 . 142 GLU CA C 59.587 0.05 .
1179 . 142 GLU HA H 3.876 0.02 .
1180 . 142 GLU CB C 29.050 0.05 .
1181 . 142 GLU HB3 H 2.190 0.02 .
1182 . 142 GLU HB2 H 2.083 0.02 .
1183 . 142 GLU HG3 H 2.380 0.02 .
1184 . 142 GLU HG2 H 2.270 0.02 .
1185 . 143 LYS N N 119.627 0.05 .
1186 . 143 LYS H H 8.397 0.02 .
1187 . 143 LYS CA C 59.433 0.05 .
1188 . 143 LYS HA H 4.095 0.02 .
1189 . 143 LYS CB C 32.547 0.05 .
1190 . 143 LYS HB3 H 1.813 0.02 .
1191 . 143 LYS HB2 H 1.795 0.02 .
1192 . 143 LYS HG3 H 1.410 0.02 .
1193 . 143 LYS HD3 H 1.750 0.02 .
1194 . 143 LYS HD2 H 119.620 0.02 .
1195 . 143 LYS HE3 H 2.940 0.02 .
1196 . 143 LYS HE2 H 2.820 0.02 .
1197 . 144 THR N N 118.295 0.05 .
1198 . 144 THR H H 8.001 0.02 .
1199 . 144 THR CA C 67.540 0.05 .
1200 . 144 THR HA H 4.120 0.02 .
1201 . 144 THR CB C 68.150 0.05 .
1202 . 144 THR HB H 3.646 0.02 .
1203 . 144 THR HG2 H 1.180 0.02 .
1204 . 145 LYS N N 123.839 0.05 .
1205 . 145 LYS H H 8.289 0.02 .
1206 . 145 LYS CA C 60.730 0.05 .
1207 . 145 LYS HA H 3.992 0.02 .
1208 . 145 LYS CB C 31.740 0.05 .
1209 . 145 LYS HB3 H 1.670 0.02 .
1210 . 145 LYS HB2 H 1.625 0.02 .
1211 . 145 LYS HG3 H 1.435 0.02 .
1212 . 145 LYS HG2 H 1.393 0.02 .
1213 . 145 LYS HD3 H 1.500 0.02 .
1214 . 145 LYS HD2 H 1.467 0.02 .
1215 . 145 LYS HE3 H 2.895 0.02 .
1216 . 145 LYS HE2 H 2.810 0.02 .
1217 . 146 GLU N N 119.160 0.05 .
1218 . 146 GLU H H 8.377 0.02 .
1219 . 146 GLU CA C 59.155 0.05 .
1220 . 146 GLU HA H 4.053 0.02 .
1221 . 146 GLU CB C 29.490 0.05 .
1222 . 146 GLU HB3 H 2.150 0.02 .
1223 . 146 GLU HB2 H 2.108 0.02 .
1224 . 146 GLU HG3 H 2.387 0.02 .
1225 . 146 GLU HG2 H 2.220 0.02 .
1226 . 147 ALA N N 121.317 0.05 .
1227 . 147 ALA H H 7.916 0.02 .
1228 . 147 ALA CA C 55.155 0.05 .
1229 . 147 ALA HA H 4.190 0.02 .
1230 . 147 ALA CB C 18.080 0.05 .
1231 . 147 ALA HB H 1.588 0.02 .
1232 . 148 ALA N N 121.745 0.05 .
1233 . 148 ALA H H 8.224 0.02 .
1234 . 148 ALA CA C 55.195 0.05 .
1235 . 148 ALA HA H 4.088 0.02 .
1236 . 148 ALA CB C 18.195 0.05 .
1237 . 148 ALA HB H 1.390 0.02 .
1238 . 149 ALA N N 122.491 0.05 .
1239 . 149 ALA H H 8.987 0.02 .
1240 . 149 ALA CA C 54.893 0.05 .
1241 . 149 ALA HA H 4.115 0.02 .
1242 . 149 ALA CB C 18.117 0.05 .
1243 . 149 ALA HB H 1.482 0.02 .
1244 . 150 ASN N N 117.730 0.05 .
1245 . 150 ASN H H 8.747 0.02 .
1246 . 150 ASN CA C 56.040 0.05 .
1247 . 150 ASN HA H 4.482 0.02 .
1248 . 150 ASN CB C 38.360 0.05 .
1249 . 150 ASN HB3 H 2.975 0.02 .
1250 . 150 ASN HB2 H 2.926 0.02 .
1251 . 150 ASN HD21 H 7.720 0.02 .
1252 . 150 ASN HD22 H 7.087 0.02 .
1253 . 151 LEU N N 123.744 0.05 .
1254 . 151 LEU H H 7.534 0.02 .
1255 . 151 LEU CA C 58.790 0.05 .
1256 . 151 LEU HA H 4.320 0.02 .
1257 . 151 LEU CB C 41.350 0.05 .
1258 . 151 LEU HB3 H 2.080 0.02 .
1259 . 151 LEU HB2 H 2.040 0.02 .
1260 . 151 LEU HG H 1.920 0.02 .
1261 . 151 LEU HD1 H 0.815 0.02 .
1262 . 151 LEU HD2 H 0.620 0.02 .
1263 . 152 GLN N N 119.097 0.05 .
1264 . 152 GLN H H 8.074 0.02 .
1265 . 152 GLN CA C 59.640 0.05 .
1266 . 152 GLN HA H 4.323 0.02 .
1267 . 152 GLN CB C 27.950 0.05 .
1268 . 152 GLN HB3 H 1.920 0.02 .
1269 . 152 GLN HB2 H 1.880 0.02 .
1270 . 152 GLN HG3 H 2.380 0.02 .
1271 . 152 GLN HG2 H 2.360 0.02 .
1272 . 152 GLN HE21 H 7.460 0.02 .
1273 . 152 GLN HE22 H 6.350 0.02 .
1274 . 153 ASN N N 119.142 0.05 .
1275 . 153 ASN H H 8.177 0.02 .
1276 . 153 ASN CA C 55.993 0.05 .
1277 . 153 ASN HA H 4.077 0.02 .
1278 . 153 ASN CB C 38.230 0.05 .
1279 . 153 ASN HB3 H 2.940 0.02 .
1280 . 153 ASN HB2 H 2.710 0.02 .
1281 . 153 ASN HD21 H 7.580 0.02 .
1282 . 153 ASN HD22 H 6.860 0.02 .
1283 . 154 SER N N 117.918 0.05 .
1284 . 154 SER H H 8.459 0.02 .
1285 . 154 SER CA C 61.930 0.05 .
1286 . 154 SER HA H 4.147 0.02 .
1287 . 154 SER CB C 62.730 0.05 .
1288 . 154 SER HB3 H 3.890 0.02 .
1289 . 154 SER HB2 H 3.817 0.02 .
1290 . 155 ILE N N 121.913 0.05 .
1291 . 155 ILE H H 7.847 0.02 .
1292 . 155 ILE CA C 64.140 0.05 .
1293 . 155 ILE HA H 3.736 0.02 .
1294 . 155 ILE CB C 36.587 0.05 .
1295 . 155 ILE HB H 1.980 0.02 .
1296 . 155 ILE HG13 H 1.485 0.02 .
1297 . 155 ILE HG12 H 1.333 0.02 .
1298 . 155 ILE HG2 H 0.825 0.02 .
1299 . 155 ILE HD1 H 0.607 0.02 .
1300 . 156 GLN N N 118.329 0.05 .
1301 . 156 GLN H H 8.192 0.02 .
1302 . 156 GLN CA C 59.420 0.05 .
1303 . 156 GLN HA H 3.965 0.02 .
1304 . 156 GLN CB C 28.657 0.05 .
1305 . 156 GLN HB3 H 2.160 0.02 .
1306 . 156 GLN HB2 H 2.017 0.02 .
1307 . 156 GLN HG3 H 2.470 0.02 .
1308 . 156 GLN HG2 H 2.300 0.02 .
1309 . 156 GLN HE21 H 6.960 0.02 .
1310 . 156 GLN HE22 H 7.740 0.02 .
1311 . 157 SER N N 111.652 0.05 .
1312 . 157 SER H H 8.071 0.02 .
1313 . 157 SER CA C 60.930 0.05 .
1314 . 157 SER HA H 4.175 0.02 .
1315 . 157 SER CB C 63.147 0.05 .
1316 . 157 SER HB3 H 3.938 0.02 .
1317 . 157 SER HB2 H 3.915 0.02 .
1318 . 158 ALA N N 122.342 0.05 .
1319 . 158 ALA H H 7.449 0.02 .
1320 . 158 ALA CA C 54.120 0.05 .
1321 . 158 ALA HA H 4.248 0.02 .
1322 . 158 ALA CB C 20.140 0.05 .
1323 . 158 ALA HB H 1.523 0.02 .
1324 . 159 VAL N N 112.620 0.05 .
1325 . 159 VAL H H 7.746 0.02 .
1326 . 159 VAL CA C 62.883 0.05 .
1327 . 159 VAL HA H 4.040 0.02 .
1328 . 159 VAL CB C 32.227 0.05 .
1329 . 159 VAL HB H 2.210 0.02 .
1330 . 159 VAL HG2 H 0.854 0.02 .
1331 . 159 VAL HG1 H 0.916 0.02 .
1332 . 160 GLN N N 120.028 0.05 .
1333 . 160 GLN H H 7.768 0.02 .
1334 . 160 GLN CA C 55.777 0.05 .
1335 . 160 GLN HA H 4.250 0.02 .
1336 . 160 GLN CB C 28.677 0.05 .
1337 . 160 GLN HB3 H 2.070 0.02 .
1338 . 160 GLN HB2 H 2.000 0.02 .
1339 . 160 GLN HG3 H 2.385 0.02 .
1340 . 160 GLN HG2 H 2.200 0.02 .
1341 . 160 GLN HE22 H 7.560 0.02 .
1342 . 161 LYS N N 123.379 0.05 .
1343 . 161 LYS H H 7.981 0.02 .
1344 . 161 LYS CA C 54.240 0.05 .
1345 . 161 LYS HA H 4.550 0.02 .
1346 . 161 LYS CB C 32.190 0.05 .
1347 . 161 LYS HB3 H 1.800 0.02 .
1348 . 161 LYS HB2 H 1.740 0.02 .
1349 . 161 LYS HG3 H 1.480 0.02 .
1350 . 161 LYS HG2 H 1.435 0.02 .
1351 . 161 LYS HD3 H 2.080 0.02 .
1352 . 161 LYS HD2 H 2.030 0.02 .
1353 . 161 LYS HE3 H 3.820 0.02 .
1354 . 161 LYS HE2 H 3.610 0.02 .
1355 . 162 PRO CA C 63.113 0.05 .
1356 . 162 PRO CB C 32.165 0.05 .
1357 . 162 PRO HB3 H 2.290 0.02 .
1358 . 162 PRO HB2 H 1.930 0.02 .
1359 . 162 PRO HG3 H 1.990 0.02 .
1360 . 162 PRO HG2 H 1.950 0.02 .
1361 . 162 PRO HD3 H 3.930 0.02 .
1362 . 162 PRO HD2 H 3.800 0.02 .
1363 . 163 ALA N N 124.811 0.05 .
1364 . 163 ALA H H 8.375 0.02 .
1365 . 163 ALA CA C 52.305 0.05 .
1366 . 163 ALA HA H 4.300 0.02 .
1367 . 163 ALA CB C 19.315 0.05 .
1368 . 163 ALA HB H 1.370 0.02 .
1369 . 164 ASN N N 123.012 0.05 .
1370 . 164 ASN H H 7.881 0.02 .
1371 . 164 ASN CA C 54.610 0.05 .
1372 . 164 ASN HA H 4.410 0.02 .
1373 . 164 ASN CB C 40.440 0.05 .
1374 . 164 ASN HB3 H 2.640 0.02 .
1375 . 164 ASN HB2 H 2.635 0.02 .
1376 . 164 ASN HD21 H 6.940 0.02 .
1377 . 164 ASN HD22 H 7.570 0.02 .
stop_
save_