data_16494
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor
;
_BMRB_accession_number 16494
_BMRB_flat_file_name bmr16494.str
_Entry_type original
_Submission_date 2009-09-15
_Accession_date 2009-09-15
_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 Pineda-Lucena Antonio . .
2 Jimenez 'M. Angeles' . .
3 Lozano Rosa M. .
4 Nieto Jose L. .
5 Santoro Jorge . .
6 Rico Manuel . .
7 Gimenez-Gallego Guillermo . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 728
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-10-06 original BMRB .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
16493 'Entry containing chemical shifts for aFGF in its complex with MIHS'
stop_
_Original_release_date 2009-09-15
save_
#############################
# Citation for this entry #
#############################
save_entry_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
1H-NMR assignment and solution structure of human acidic fibroblast growth factor activated by inositol hexasulfate
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 7521397
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Pineda-Lucena Antonio . .
2 Jimenez 'M. Angeles' . .
3 Nieto Jose L. .
4 Santoro Jorge . .
5 Rico Manuel . .
6 Gimenez-Gallego Guillermo . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 242
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 81
_Page_last 98
_Year 1994
_Details .
loop_
_Keyword
'acidic fibroblast growth factor'
heparin
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_entry_citation_2
_Saveframe_category citation
_Citation_full .
_Citation_title
;
Three-dimensional structure of acidic fibroblast growth factor in solution: effects of binding to a heparin functional analog.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 8950275
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Pineda-Lucena Antonio . .
2 Jimenez 'M. Angeles' . .
3 Lozano Rosa M. .
4 Nieto Jose L. .
5 Santoro Jorge . .
6 Rico Manuel . .
7 Gimenez-Gallego Guillermo . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full .
_Journal_volume 264
_Journal_issue 1
_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 162
_Page_last 178
_Year 1996
_Details .
loop_
_Keyword
'FGF activation'
'acidic fibroblast growth factor'
'heparin functional analog'
'mitogenic activity regulation'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name aFGF
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'acidic fibroblast growth factor' $aFGF
stop_
_System_molecular_weight 15000
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
loop_
_Biological_function
'Growth factor'
stop_
_Database_query_date .
_Details 'acidic fibroblast growth factor'
save_
########################
# Monomeric polymers #
########################
save_aFGF
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common aFGF
_Molecular_mass .
_Mol_thiol_state 'all free'
loop_
_Biological_function
'Growth Factor'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 132
_Mol_residue_sequence
;
KKPKLLYCSNGGHFLRILPD
GTVDGTRDRSDQHIQLQLSA
ESVGEVYIKSTETGQYLAMD
TDGLLYGSQTPNEECLFLER
LEENHYNTYISKKHAEKNWF
VGLKKNGSCKRGPRTHYGQK
AILFLPLPVSSD
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 23 LYS 2 24 LYS 3 25 PRO 4 26 LYS 5 27 LEU
6 28 LEU 7 29 TYR 8 30 CYS 9 31 SER 10 32 ASN
11 33 GLY 12 34 GLY 13 35 HIS 14 36 PHE 15 37 LEU
16 38 ARG 17 39 ILE 18 40 LEU 19 41 PRO 20 42 ASP
21 43 GLY 22 44 THR 23 45 VAL 24 46 ASP 25 47 GLY
26 48 THR 27 49 ARG 28 50 ASP 29 51 ARG 30 52 SER
31 53 ASP 32 54 GLN 33 55 HIS 34 56 ILE 35 57 GLN
36 58 LEU 37 59 GLN 38 60 LEU 39 61 SER 40 62 ALA
41 63 GLU 42 64 SER 43 65 VAL 44 66 GLY 45 67 GLU
46 68 VAL 47 69 TYR 48 70 ILE 49 71 LYS 50 72 SER
51 73 THR 52 74 GLU 53 75 THR 54 76 GLY 55 77 GLN
56 78 TYR 57 79 LEU 58 80 ALA 59 81 MET 60 82 ASP
61 83 THR 62 84 ASP 63 85 GLY 64 86 LEU 65 87 LEU
66 88 TYR 67 89 GLY 68 90 SER 69 91 GLN 70 92 THR
71 93 PRO 72 94 ASN 73 95 GLU 74 96 GLU 75 97 CYS
76 98 LEU 77 99 PHE 78 100 LEU 79 101 GLU 80 102 ARG
81 103 LEU 82 104 GLU 83 105 GLU 84 106 ASN 85 107 HIS
86 108 TYR 87 109 ASN 88 110 THR 89 111 TYR 90 112 ILE
91 113 SER 92 114 LYS 93 115 LYS 94 116 HIS 95 117 ALA
96 118 GLU 97 119 LYS 98 120 ASN 99 121 TRP 100 122 PHE
101 123 VAL 102 124 GLY 103 125 LEU 104 126 LYS 105 127 LYS
106 128 ASN 107 129 GLY 108 130 SER 109 131 CYS 110 132 LYS
111 133 ARG 112 134 GLY 113 135 PRO 114 136 ARG 115 137 THR
116 138 HIS 117 139 TYR 118 140 GLY 119 141 GLN 120 142 LYS
121 143 ALA 122 144 ILE 123 145 LEU 124 146 PHE 125 147 LEU
126 148 PRO 127 149 LEU 128 150 PRO 129 151 VAL 130 152 SER
131 153 SER 132 154 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$aFGF 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
$aFGF 'recombinant technology' . Escherichia coli . pMG47
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
$aFGF . mM 1 2 'natural abundance'
'sodium phosphate' 10 mM . . 'natural abundance'
TSP . mM 0.1 0.2 'natural abundance'
H2O 90 % . . 'natural abundance'
D2O 10 % . . 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$aFGF . mM 1 2 'natural abundance'
'sodium phosphate' 10 mM . . 'natural abundance'
TSP . mM 0.1 0.2 'natural abundance'
D2O 100 % . . 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_UXNMR
_Saveframe_category software
_Name UXNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AMX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-1H_COSY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H COSY'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_2D_1H-1H_COSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H COSY'
_Sample_label $sample_2
save_
save_2D_1H-1H_TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_2
save_
save_2D_1H-1H_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 10 . mM
pH 6 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-1H COSY'
'2D 1H-1H TOCSY'
'2D 1H-1H NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'acidic fibroblast growth factor'
_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 23 1 LYS HA H 4.26 0.01 1
2 23 1 LYS HB2 H 1.96 0.01 2
3 23 1 LYS HB3 H 1.96 0.01 2
4 23 1 LYS HG2 H 1.66 0.01 2
5 23 1 LYS HG3 H 1.66 0.01 2
6 24 2 LYS HA H 4.69 0.01 1
7 24 2 LYS HB2 H 1.84 0.01 2
8 24 2 LYS HB3 H 1.84 0.01 2
9 25 3 PRO HA H 4.27 0.01 1
10 25 3 PRO HB2 H 2.21 0.01 2
11 25 3 PRO HB3 H 2.21 0.01 2
12 25 3 PRO HD2 H 3.88 0.01 2
13 25 3 PRO HD3 H 3.67 0.01 2
14 26 4 LYS H H 9.40 0.01 1
15 26 4 LYS HA H 5.00 0.01 1
16 26 4 LYS HB2 H 1.82 0.01 2
17 26 4 LYS HB3 H 1.50 0.01 2
18 26 4 LYS HD2 H 1.83 0.01 2
19 26 4 LYS HD3 H 1.83 0.01 2
20 26 4 LYS HE2 H 3.22 0.01 2
21 26 4 LYS HE3 H 3.22 0.01 2
22 26 4 LYS HG2 H 1.50 0.01 2
23 26 4 LYS HG3 H 1.50 0.01 2
24 26 4 LYS HZ H 6.90 0.01 1
25 27 5 LEU H H 9.09 0.01 1
26 27 5 LEU HA H 4.92 0.01 1
27 27 5 LEU HB2 H 1.79 0.01 2
28 27 5 LEU HB3 H 1.62 0.01 2
29 27 5 LEU HD1 H 0.60 0.01 2
30 27 5 LEU HD2 H 0.50 0.01 2
31 27 5 LEU HG H 1.52 0.01 1
32 28 6 LEU H H 10.42 0.01 1
33 28 6 LEU HA H 4.99 0.01 1
34 28 6 LEU HB2 H 1.66 0.01 2
35 28 6 LEU HB3 H 1.36 0.01 2
36 28 6 LEU HD1 H 0.66 0.01 2
37 28 6 LEU HD2 H 0.40 0.01 2
38 28 6 LEU HG H 1.44 0.01 1
39 29 7 TYR H H 8.63 0.01 1
40 29 7 TYR HA H 4.57 0.01 1
41 29 7 TYR HB2 H 3.40 0.01 2
42 29 7 TYR HB3 H 2.94 0.01 2
43 29 7 TYR HD1 H 6.44 0.01 3
44 29 7 TYR HD2 H 6.44 0.01 3
45 29 7 TYR HE1 H 6.50 0.01 3
46 29 7 TYR HE2 H 6.50 0.01 3
47 30 8 CYS H H 9.36 0.01 1
48 30 8 CYS HA H 4.17 0.01 1
49 30 8 CYS HB2 H 2.60 0.01 2
50 30 8 CYS HB3 H 2.52 0.01 2
51 31 9 SER H H 8.28 0.01 1
52 31 9 SER HA H 3.90 0.01 1
53 32 10 ASN H H 7.47 0.01 1
54 32 10 ASN HA H 4.35 0.01 1
55 32 10 ASN HB2 H 2.87 0.01 2
56 32 10 ASN HB3 H 2.87 0.01 2
57 32 10 ASN HD21 H 7.63 0.01 2
58 32 10 ASN HD22 H 6.47 0.01 2
59 33 11 GLY H H 8.52 0.01 1
60 33 11 GLY HA2 H 4.65 0.01 2
61 34 12 GLY H H 7.22 0.01 1
62 34 12 GLY HA2 H 3.58 0.01 2
63 34 12 GLY HA3 H 3.19 0.01 2
64 35 13 HIS H H 6.42 0.01 1
65 35 13 HIS HA H 4.06 0.01 1
66 35 13 HIS HB2 H 2.63 0.01 2
67 35 13 HIS HB3 H 2.47 0.01 2
68 35 13 HIS HD1 H 6.45 0.01 1
69 35 13 HIS HE2 H 7.70 0.01 1
70 36 14 PHE H H 9.38 0.01 1
71 36 14 PHE HA H 5.41 0.01 1
72 36 14 PHE HB2 H 3.55 0.01 2
73 36 14 PHE HB3 H 2.93 0.01 2
74 36 14 PHE HD1 H 7.28 0.01 3
75 36 14 PHE HD2 H 7.28 0.01 3
76 36 14 PHE HE1 H 7.20 0.01 3
77 36 14 PHE HE2 H 7.20 0.01 3
78 37 15 LEU H H 8.56 0.01 1
79 37 15 LEU HA H 4.34 0.01 1
80 37 15 LEU HB2 H 1.88 0.01 2
81 37 15 LEU HB3 H 1.35 0.01 2
82 37 15 LEU HD1 H 0.66 0.01 2
83 37 15 LEU HD2 H 0.42 0.01 2
84 37 15 LEU HG H 1.46 0.01 1
85 38 16 ARG H H 9.46 0.01 1
86 38 16 ARG HA H 4.68 0.01 1
87 38 16 ARG HB2 H 2.58 0.01 2
88 38 16 ARG HB3 H 2.58 0.01 2
89 38 16 ARG HD2 H 3.36 0.01 2
90 38 16 ARG HD3 H 2.75 0.01 2
91 38 16 ARG HE H 9.80 0.01 1
92 38 16 ARG HG2 H 1.35 0.01 2
93 38 16 ARG HG3 H 1.23 0.01 2
94 39 17 ILE H H 7.09 0.01 1
95 39 17 ILE HA H 4.55 0.01 1
96 39 17 ILE HB H 1.67 0.01 1
97 39 17 ILE HG2 H 0.61 0.01 1
98 40 18 LEU H H 9.03 0.01 1
99 40 18 LEU HA H 4.14 0.01 1
100 40 18 LEU HB2 H 2.01 0.01 2
101 40 18 LEU HB3 H 1.37 0.01 2
102 40 18 LEU HD1 H 0.80 0.01 2
103 40 18 LEU HD2 H 0.66 0.01 2
104 41 19 PRO HA H 4.28 0.01 1
105 41 19 PRO HB2 H 2.33 0.01 2
106 41 19 PRO HB3 H 1.96 0.01 2
107 41 19 PRO HD2 H 3.48 0.01 2
108 41 19 PRO HD3 H 2.45 0.01 2
109 41 19 PRO HG2 H 1.77 0.01 2
110 41 19 PRO HG3 H 1.77 0.01 2
111 42 20 ASP H H 7.53 0.01 1
112 42 20 ASP HA H 4.51 0.01 1
113 42 20 ASP HB2 H 3.08 0.01 2
114 42 20 ASP HB3 H 2.59 0.01 2
115 43 21 GLY H H 8.50 0.01 1
116 44 22 THR H H 7.99 0.01 1
117 44 22 THR HA H 4.46 0.01 1
118 44 22 THR HB H 4.20 0.01 1
119 44 22 THR HG2 H 1.17 0.01 1
120 45 23 VAL H H 7.92 0.01 1
121 45 23 VAL HA H 5.08 0.01 1
122 45 23 VAL HB H 1.59 0.01 1
123 45 23 VAL HG1 H 0.88 0.01 2
124 45 23 VAL HG2 H 0.76 0.01 2
125 46 24 ASP H H 9.04 0.01 1
126 46 24 ASP HA H 4.30 0.01 1
127 46 24 ASP HB2 H 2.99 0.01 2
128 46 24 ASP HB3 H 2.72 0.01 2
129 47 25 GLY H H 8.00 0.01 1
130 47 25 GLY HA2 H 5.51 0.01 2
131 47 25 GLY HA3 H 3.01 0.01 2
132 48 26 THR H H 8.63 0.01 1
133 48 26 THR HA H 5.18 0.01 1
134 48 26 THR HB H 3.98 0.01 1
135 48 26 THR HG2 H 1.34 0.01 1
136 49 27 ARG H H 9.11 0.01 1
137 49 27 ARG HA H 4.64 0.01 1
138 49 27 ARG HB2 H 2.20 0.01 2
139 49 27 ARG HB3 H 1.75 0.01 2
140 50 28 ASP H H 8.45 0.01 1
141 50 28 ASP HA H 4.64 0.01 1
142 50 28 ASP HB2 H 3.22 0.01 2
143 50 28 ASP HB3 H 2.66 0.01 2
144 51 29 ARG H H 8.44 0.01 1
145 51 29 ARG HA H 3.58 0.01 1
146 51 29 ARG HB2 H 1.77 0.01 2
147 51 29 ARG HB3 H 1.70 0.01 2
148 51 29 ARG HD2 H 3.12 0.01 2
149 51 29 ARG HD3 H 3.12 0.01 2
150 51 29 ARG HE H 7.06 0.01 1
151 51 29 ARG HG2 H 1.29 0.01 2
152 51 29 ARG HG3 H 1.29 0.01 2
153 52 30 SER H H 8.51 0.01 1
154 52 30 SER HA H 4.38 0.01 1
155 52 30 SER HB2 H 4.01 0.01 2
156 52 30 SER HB3 H 3.84 0.01 2
157 53 31 ASP H H 7.21 0.01 1
158 53 31 ASP HA H 4.26 0.01 1
159 53 31 ASP HB2 H 2.78 0.01 2
160 53 31 ASP HB3 H 2.69 0.01 2
161 54 32 GLN H H 8.97 0.01 1
162 54 32 GLN HA H 4.00 0.01 1
163 54 32 GLN HB2 H 1.75 0.01 2
164 54 32 GLN HB3 H 1.52 0.01 2
165 54 32 GLN HG2 H 2.06 0.01 2
166 54 32 GLN HG3 H 2.06 0.01 2
167 55 33 HIS H H 9.79 0.01 1
168 55 33 HIS HB2 H 3.85 0.01 2
169 55 33 HIS HB3 H 3.00 0.01 2
170 55 33 HIS HD1 H 7.14 0.01 1
171 55 33 HIS HE2 H 8.08 0.01 1
172 56 34 ILE H H 6.80 0.01 1
173 56 34 ILE HA H 5.12 0.01 1
174 56 34 ILE HB H 2.43 0.01 1
175 56 34 ILE HD1 H 0.58 0.01 1
176 56 34 ILE HG12 H 1.58 0.01 2
177 56 34 ILE HG2 H 0.82 0.01 1
178 57 35 GLN H H 7.16 0.01 1
179 57 35 GLN HA H 4.26 0.01 1
180 58 36 LEU H H 9.28 0.01 1
181 58 36 LEU HA H 5.34 0.01 1
182 58 36 LEU HB2 H 1.58 0.01 2
183 58 36 LEU HB3 H 1.04 0.01 2
184 58 36 LEU HD1 H 0.73 0.01 2
185 58 36 LEU HD2 H 0.60 0.01 2
186 58 36 LEU HG H 1.93 0.01 1
187 59 37 GLN H H 9.60 0.01 1
188 59 37 GLN HA H 4.65 0.01 1
189 59 37 GLN HB2 H 1.89 0.01 2
190 59 37 GLN HB3 H 1.74 0.01 2
191 59 37 GLN HG2 H 2.12 0.01 2
192 59 37 GLN HG3 H 2.12 0.01 2
193 60 38 LEU H H 8.79 0.01 1
194 60 38 LEU HA H 5.44 0.01 1
195 60 38 LEU HB2 H 1.66 0.01 2
196 60 38 LEU HB3 H 1.59 0.01 2
197 60 38 LEU HD1 H 0.86 0.01 2
198 60 38 LEU HD2 H 0.80 0.01 2
199 60 38 LEU HG H 1.66 0.01 1
200 61 39 SER H H 8.85 0.01 1
201 61 39 SER HB2 H 3.95 0.01 2
202 61 39 SER HB3 H 3.85 0.01 2
203 62 40 ALA H H 8.74 0.01 1
204 62 40 ALA HA H 5.08 0.01 1
205 62 40 ALA HB H 1.44 0.01 1
206 63 41 GLU H H 8.58 0.01 1
207 63 41 GLU HA H 4.45 0.01 1
208 63 41 GLU HB2 H 1.99 0.01 2
209 63 41 GLU HB3 H 1.80 0.01 2
210 63 41 GLU HG2 H 2.21 0.01 2
211 63 41 GLU HG3 H 2.07 0.01 2
212 64 42 SER H H 8.16 0.01 1
213 64 42 SER HA H 4.53 0.01 1
214 64 42 SER HB2 H 3.83 0.01 2
215 64 42 SER HB3 H 3.70 0.01 2
216 65 43 VAL H H 8.23 0.01 1
217 65 43 VAL HA H 3.84 0.01 1
218 65 43 VAL HB H 2.04 0.01 1
219 65 43 VAL HG1 H 1.08 0.01 2
220 65 43 VAL HG2 H 0.98 0.01 2
221 66 44 GLY H H 8.92 0.01 1
222 66 44 GLY HA2 H 4.30 0.01 2
223 66 44 GLY HA3 H 3.98 0.01 2
224 67 45 GLU H H 8.14 0.01 1
225 67 45 GLU HA H 5.44 0.01 1
226 67 45 GLU HB2 H 1.87 0.01 2
227 67 45 GLU HB3 H 1.80 0.01 2
228 67 45 GLU HG2 H 2.10 0.01 2
229 67 45 GLU HG3 H 1.99 0.01 2
230 68 46 VAL H H 9.68 0.01 1
231 68 46 VAL HA H 5.49 0.01 1
232 68 46 VAL HB H 2.26 0.01 1
233 68 46 VAL HG1 H 0.98 0.01 2
234 68 46 VAL HG2 H 0.90 0.01 2
235 69 47 TYR H H 8.54 0.01 1
236 69 47 TYR HA H 5.31 0.01 1
237 69 47 TYR HB2 H 3.28 0.01 2
238 69 47 TYR HB3 H 3.00 0.01 2
239 69 47 TYR HD1 H 7.20 0.01 3
240 69 47 TYR HD2 H 7.20 0.01 3
241 69 47 TYR HE1 H 6.58 0.01 3
242 69 47 TYR HE2 H 6.58 0.01 3
243 70 48 ILE H H 10.66 0.01 1
244 70 48 ILE HA H 4.41 0.01 1
245 70 48 ILE HB H 1.60 0.01 1
246 70 48 ILE HD1 H -0.20 0.01 1
247 70 48 ILE HG12 H 1.38 0.01 2
248 70 48 ILE HG13 H 0.52 0.01 2
249 70 48 ILE HG2 H 0.48 0.01 1
250 71 49 LYS H H 8.67 0.01 1
251 71 49 LYS HA H 4.97 0.01 1
252 71 49 LYS HB2 H 1.30 0.01 2
253 71 49 LYS HB3 H 1.10 0.01 2
254 71 49 LYS HD2 H 1.19 0.01 2
255 71 49 LYS HD3 H 1.19 0.01 2
256 71 49 LYS HE2 H 2.62 0.01 2
257 71 49 LYS HE3 H 2.50 0.01 2
258 71 49 LYS HG2 H 0.63 0.01 2
259 71 49 LYS HG3 H 0.29 0.01 2
260 72 50 SER H H 9.04 0.01 1
261 72 50 SER HA H 4.68 0.01 1
262 72 50 SER HB2 H 3.87 0.01 2
263 72 50 SER HB3 H 3.10 0.01 2
264 73 51 THR H H 8.52 0.01 1
265 73 51 THR HA H 3.99 0.01 1
266 73 51 THR HB H 4.16 0.01 1
267 73 51 THR HG2 H 1.16 0.01 1
268 74 52 GLU H H 8.52 0.01 1
269 74 52 GLU HA H 4.29 0.01 1
270 74 52 GLU HB2 H 1.84 0.01 2
271 74 52 GLU HB3 H 1.84 0.01 2
272 74 52 GLU HG2 H 2.15 0.01 2
273 74 52 GLU HG3 H 2.15 0.01 2
274 75 53 THR H H 7.82 0.01 1
275 75 53 THR HA H 4.69 0.01 1
276 75 53 THR HB H 4.54 0.01 1
277 75 53 THR HG2 H 1.28 0.01 1
278 76 54 GLY H H 7.77 0.01 1
279 76 54 GLY HA2 H 4.14 0.01 2
280 76 54 GLY HA3 H 3.60 0.01 2
281 77 55 GLN H H 7.27 0.01 1
282 77 55 GLN HA H 4.30 0.01 1
283 77 55 GLN HB2 H 1.55 0.01 2
284 77 55 GLN HB3 H 1.55 0.01 2
285 78 56 TYR H H 9.38 0.01 1
286 78 56 TYR HA H 4.78 0.01 1
287 78 56 TYR HB3 H 2.80 0.01 2
288 78 56 TYR HD1 H 7.09 0.01 3
289 78 56 TYR HD2 H 7.09 0.01 3
290 78 56 TYR HE1 H 6.51 0.01 3
291 78 56 TYR HE2 H 6.51 0.01 3
292 79 57 LEU H H 9.26 0.01 1
293 79 57 LEU HA H 4.12 0.01 1
294 79 57 LEU HB2 H 1.96 0.01 2
295 79 57 LEU HB3 H 1.04 0.01 2
296 79 57 LEU HD2 H 0.18 0.01 2
297 79 57 LEU HG H 1.63 0.01 1
298 80 58 ALA H H 8.76 0.01 1
299 80 58 ALA HA H 5.12 0.01 1
300 80 58 ALA HB H 0.60 0.01 1
301 81 59 MET H H 7.64 0.01 1
302 81 59 MET HA H 5.50 0.01 1
303 81 59 MET HB2 H 2.40 0.01 2
304 81 59 MET HB3 H 2.40 0.01 2
305 81 59 MET HG2 H 2.63 0.01 2
306 81 59 MET HG3 H 2.20 0.01 2
307 82 60 ASP H H 9.27 0.01 1
308 82 60 ASP HA H 5.04 0.01 1
309 82 60 ASP HB2 H 3.56 0.01 2
310 82 60 ASP HB3 H 2.85 0.01 2
311 83 61 THR H H 8.06 0.01 1
312 83 61 THR HA H 4.15 0.01 1
313 83 61 THR HB H 4.53 0.01 1
314 83 61 THR HG2 H 1.46 0.01 1
315 84 62 ASP H H 8.48 0.01 1
316 84 62 ASP HA H 4.94 0.01 1
317 84 62 ASP HB2 H 2.75 0.01 2
318 84 62 ASP HB3 H 2.75 0.01 2
319 85 63 GLY H H 8.38 0.01 1
320 85 63 GLY HA2 H 3.62 0.01 2
321 85 63 GLY HA3 H 3.34 0.01 2
322 86 64 LEU H H 8.73 0.01 1
323 86 64 LEU HA H 4.54 0.01 1
324 86 64 LEU HB2 H 2.05 0.01 2
325 86 64 LEU HB3 H 1.62 0.01 2
326 86 64 LEU HD1 H 1.00 0.01 2
327 86 64 LEU HD2 H 0.91 0.01 2
328 86 64 LEU HG H 1.75 0.01 1
329 87 65 LEU H H 7.57 0.01 1
330 87 65 LEU HA H 5.70 0.01 1
331 87 65 LEU HB2 H 1.95 0.01 2
332 87 65 LEU HB3 H 1.44 0.01 2
333 87 65 LEU HD1 H 1.09 0.01 2
334 87 65 LEU HD2 H 1.02 0.01 2
335 87 65 LEU HG H 2.20 0.01 1
336 88 66 TYR H H 9.37 0.01 1
337 88 66 TYR HA H 5.01 0.01 1
338 88 66 TYR HB2 H 3.10 0.01 2
339 88 66 TYR HB3 H 3.10 0.01 2
340 88 66 TYR HD1 H 7.14 0.01 3
341 88 66 TYR HD2 H 7.14 0.01 3
342 88 66 TYR HE1 H 6.57 0.01 3
343 88 66 TYR HE2 H 6.57 0.01 3
344 89 67 GLY HA2 H 4.68 0.01 2
345 90 68 SER H H 9.73 0.01 1
346 90 68 SER HA H 4.97 0.01 1
347 90 68 SER HB2 H 3.88 0.01 2
348 90 68 SER HB3 H 3.53 0.01 2
349 91 69 GLN H H 9.45 0.01 1
350 91 69 GLN HA H 4.27 0.01 1
351 91 69 GLN HB2 H 2.32 0.01 2
352 91 69 GLN HB3 H 2.20 0.01 2
353 91 69 GLN HG2 H 2.64 0.01 2
354 91 69 GLN HG3 H 2.54 0.01 2
355 92 70 THR H H 7.64 0.01 1
356 92 70 THR HA H 4.84 0.01 1
357 92 70 THR HB H 4.11 0.01 1
358 92 70 THR HG2 H 1.20 0.01 1
359 93 71 PRO HA H 4.14 0.01 1
360 93 71 PRO HB2 H 0.30 0.01 2
361 93 71 PRO HB3 H 1.83 0.01 2
362 93 71 PRO HD2 H 3.64 0.01 2
363 93 71 PRO HD3 H 3.43 0.01 2
364 93 71 PRO HG2 H 1.83 0.01 2
365 93 71 PRO HG3 H 1.83 0.01 2
366 94 72 ASN H H 7.44 0.01 1
367 94 72 ASN HA H 4.74 0.01 1
368 94 72 ASN HB2 H 3.20 0.01 2
369 94 72 ASN HB3 H 2.97 0.01 2
370 95 73 GLU H H 9.04 0.01 1
371 95 73 GLU HA H 4.13 0.01 1
372 95 73 GLU HB2 H 2.29 0.01 2
373 95 73 GLU HB3 H 2.12 0.01 2
374 95 73 GLU HG2 H 2.37 0.01 2
375 95 73 GLU HG3 H 2.37 0.01 2
376 96 74 GLU H H 8.70 0.01 1
377 96 74 GLU HA H 4.19 0.01 1
378 96 74 GLU HB2 H 2.53 0.01 2
379 96 74 GLU HB3 H 2.46 0.01 2
380 96 74 GLU HG2 H 2.61 0.01 2
381 96 74 GLU HG3 H 2.28 0.01 2
382 97 75 CYS H H 7.84 0.01 1
383 97 75 CYS HA H 5.42 0.01 1
384 97 75 CYS HB2 H 3.69 0.01 2
385 97 75 CYS HB3 H 3.31 0.01 2
386 98 76 LEU H H 6.36 0.01 1
387 98 76 LEU HA H 4.55 0.01 1
388 98 76 LEU HB2 H 1.41 0.01 2
389 98 76 LEU HB3 H 1.16 0.01 2
390 98 76 LEU HD1 H 0.62 0.01 2
391 98 76 LEU HD2 H 0.39 0.01 2
392 98 76 LEU HG H 1.26 0.01 1
393 99 77 PHE H H 9.16 0.01 1
394 99 77 PHE HA H 5.14 0.01 1
395 99 77 PHE HB2 H 2.92 0.01 2
396 99 77 PHE HB3 H 2.78 0.01 2
397 99 77 PHE HD1 H 7.05 0.01 3
398 99 77 PHE HD2 H 7.05 0.01 3
399 99 77 PHE HE1 H 7.15 0.01 3
400 99 77 PHE HE2 H 7.15 0.01 3
401 99 77 PHE HZ H 6.80 0.01 1
402 100 78 LEU H H 10.08 0.01 1
403 100 78 LEU HA H 5.18 0.01 1
404 100 78 LEU HB2 H 1.88 0.01 2
405 100 78 LEU HB3 H 1.88 0.01 2
406 100 78 LEU HD1 H 0.86 0.01 2
407 100 78 LEU HD2 H 0.86 0.01 2
408 100 78 LEU HG H 1.50 0.01 1
409 101 79 GLU H H 8.29 0.01 1
410 101 79 GLU HB2 H 2.01 0.01 2
411 101 79 GLU HB3 H 1.78 0.01 2
412 101 79 GLU HG2 H 1.88 0.01 2
413 101 79 GLU HG3 H 1.88 0.01 2
414 102 80 ARG H H 8.95 0.01 1
415 102 80 ARG HA H 4.68 0.01 1
416 102 80 ARG HB2 H 1.83 0.01 2
417 102 80 ARG HB3 H 1.83 0.01 2
418 102 80 ARG HD2 H 3.20 0.01 2
419 102 80 ARG HD3 H 3.20 0.01 2
420 102 80 ARG HE H 7.52 0.01 1
421 102 80 ARG HG2 H 1.54 0.01 2
422 102 80 ARG HG3 H 1.47 0.01 2
423 103 81 LEU H H 8.44 0.01 1
424 103 81 LEU HB2 H 1.74 0.01 2
425 103 81 LEU HB3 H 1.51 0.01 2
426 103 81 LEU HD1 H 0.87 0.01 2
427 103 81 LEU HD2 H 0.87 0.01 2
428 103 81 LEU HG H 1.64 0.01 1
429 104 82 GLU H H 9.18 0.01 1
430 104 82 GLU HB2 H 2.28 0.01 2
431 104 82 GLU HB3 H 2.01 0.01 2
432 104 82 GLU HG2 H 2.38 0.01 2
433 104 82 GLU HG3 H 2.38 0.01 2
434 105 83 GLU H H 8.84 0.01 1
435 105 83 GLU HA H 4.12 0.01 1
436 105 83 GLU HB2 H 2.13 0.01 2
437 105 83 GLU HB3 H 2.07 0.01 2
438 105 83 GLU HG2 H 2.37 0.01 2
439 105 83 GLU HG3 H 2.37 0.01 2
440 106 84 ASN H H 7.71 0.01 1
441 106 84 ASN HA H 4.34 0.01 1
442 106 84 ASN HB2 H 3.08 0.01 2
443 106 84 ASN HB3 H 2.99 0.01 2
444 107 85 HIS H H 8.21 0.01 1
445 107 85 HIS HA H 4.22 0.01 1
446 107 85 HIS HB2 H 3.46 0.01 2
447 107 85 HIS HB3 H 3.29 0.01 2
448 107 85 HIS HD2 H 7.06 0.01 1
449 107 85 HIS HE1 H 8.56 0.01 1
450 108 86 TYR H H 7.65 0.01 1
451 108 86 TYR HA H 4.84 0.01 1
452 108 86 TYR HB2 H 2.95 0.01 2
453 108 86 TYR HB3 H 2.95 0.01 2
454 108 86 TYR HD1 H 7.07 0.01 3
455 108 86 TYR HD2 H 7.07 0.01 3
456 108 86 TYR HE1 H 6.84 0.01 3
457 108 86 TYR HE2 H 6.84 0.01 3
458 109 87 ASN H H 9.95 0.01 1
459 109 87 ASN HA H 5.84 0.01 1
460 109 87 ASN HB2 H 2.65 0.01 2
461 109 87 ASN HB3 H 2.44 0.01 2
462 110 88 THR H H 8.52 0.01 1
463 110 88 THR HA H 5.11 0.01 1
464 110 88 THR HB H 4.57 0.01 1
465 110 88 THR HG2 H 1.32 0.01 1
466 111 89 TYR H H 10.38 0.01 1
467 111 89 TYR HA H 5.44 0.01 1
468 111 89 TYR HB2 H 2.47 0.01 2
469 111 89 TYR HB3 H 2.47 0.01 2
470 111 89 TYR HD1 H 6.66 0.01 3
471 111 89 TYR HD2 H 6.66 0.01 3
472 111 89 TYR HE1 H 6.52 0.01 3
473 111 89 TYR HE2 H 6.52 0.01 3
474 112 90 ILE H H 8.85 0.01 1
475 112 90 ILE HA H 4.62 0.01 1
476 112 90 ILE HB H 1.51 0.01 1
477 112 90 ILE HD1 H 0.56 0.01 1
478 112 90 ILE HG12 H 1.32 0.01 2
479 112 90 ILE HG13 H 0.03 0.01 2
480 112 90 ILE HG2 H 0.65 0.01 1
481 113 91 SER H H 8.34 0.01 1
482 113 91 SER HB2 H 4.02 0.01 2
483 113 91 SER HB3 H 3.82 0.01 2
484 114 92 LYS H H 8.10 0.01 1
485 114 92 LYS HA H 3.77 0.01 1
486 114 92 LYS HB2 H 1.74 0.01 2
487 114 92 LYS HB3 H 1.74 0.01 2
488 114 92 LYS HG2 H 1.20 0.01 2
489 114 92 LYS HG3 H 1.20 0.01 2
490 115 93 LYS H H 8.73 0.01 1
491 115 93 LYS HA H 3.83 0.01 1
492 115 93 LYS HB2 H 1.32 0.01 2
493 115 93 LYS HD2 H 1.54 0.01 2
494 115 93 LYS HD3 H 1.36 0.01 2
495 115 93 LYS HE2 H 2.92 0.01 2
496 115 93 LYS HE3 H 2.82 0.01 2
497 115 93 LYS HG2 H 0.94 0.01 2
498 115 93 LYS HG3 H 0.54 0.01 2
499 116 94 HIS H H 7.40 0.01 1
500 116 94 HIS HA H 4.58 0.01 1
501 116 94 HIS HB2 H 2.53 0.01 2
502 116 94 HIS HB3 H 2.53 0.01 2
503 116 94 HIS HD2 H 7.98 0.01 1
504 116 94 HIS HE1 H 7.05 0.01 1
505 117 95 ALA H H 7.21 0.01 1
506 117 95 ALA HA H 3.80 0.01 1
507 117 95 ALA HB H 1.45 0.01 1
508 118 96 GLU H H 8.92 0.01 1
509 118 96 GLU HA H 4.05 0.01 1
510 118 96 GLU HB2 H 1.96 0.01 2
511 118 96 GLU HB3 H 1.94 0.01 2
512 118 96 GLU HG2 H 2.28 0.01 2
513 118 96 GLU HG3 H 2.18 0.01 2
514 119 97 LYS H H 7.28 0.01 1
515 119 97 LYS HA H 4.23 0.01 1
516 119 97 LYS HB2 H 1.14 0.01 2
517 119 97 LYS HB3 H 0.73 0.01 2
518 119 97 LYS HD2 H 1.36 0.01 2
519 119 97 LYS HD3 H 1.36 0.01 2
520 119 97 LYS HE2 H 2.53 0.01 2
521 119 97 LYS HE3 H 2.35 0.01 2
522 119 97 LYS HG2 H 0.94 0.01 2
523 119 97 LYS HG3 H 0.94 0.01 2
524 120 98 ASN H H 7.96 0.01 1
525 120 98 ASN HA H 3.76 0.01 1
526 120 98 ASN HB2 H 2.98 0.01 2
527 120 98 ASN HB3 H 2.84 0.01 2
528 120 98 ASN HD21 H 7.44 0.01 2
529 120 98 ASN HD22 H 6.72 0.01 2
530 121 99 TRP H H 6.45 0.01 1
531 121 99 TRP HA H 4.83 0.01 1
532 121 99 TRP HB2 H 3.14 0.01 2
533 121 99 TRP HB3 H 2.90 0.01 2
534 121 99 TRP HD1 H 6.85 0.01 1
535 121 99 TRP HE1 H 10.42 0.01 1
536 121 99 TRP HE3 H 7.36 0.01 1
537 121 99 TRP HH2 H 7.06 0.01 1
538 121 99 TRP HZ2 H 7.41 0.01 1
539 121 99 TRP HZ3 H 6.20 0.01 1
540 122 100 PHE H H 8.14 0.01 1
541 122 100 PHE HA H 5.35 0.01 1
542 122 100 PHE HB2 H 3.43 0.01 2
543 122 100 PHE HB3 H 2.69 0.01 2
544 122 100 PHE HD1 H 7.48 0.01 3
545 122 100 PHE HD2 H 7.48 0.01 3
546 122 100 PHE HE1 H 7.22 0.01 3
547 122 100 PHE HE2 H 7.22 0.01 3
548 122 100 PHE HZ H 6.94 0.01 1
549 123 101 VAL H H 8.61 0.01 1
550 123 101 VAL HA H 3.92 0.01 1
551 123 101 VAL HB H 2.03 0.01 1
552 123 101 VAL HG1 H 0.51 0.01 2
553 123 101 VAL HG2 H 0.48 0.01 2
554 124 102 GLY H H 9.09 0.01 1
555 124 102 GLY HA2 H 5.27 0.01 2
556 124 102 GLY HA3 H 3.15 0.01 2
557 125 103 LEU H H 8.25 0.01 1
558 125 103 LEU HA H 4.94 0.01 1
559 125 103 LEU HB2 H 2.23 0.01 2
560 125 103 LEU HD1 H 0.76 0.01 2
561 125 103 LEU HG H 1.58 0.01 1
562 126 104 LYS H H 8.95 0.01 1
563 126 104 LYS HA H 4.20 0.01 1
564 126 104 LYS HB2 H 1.76 0.01 2
565 126 104 LYS HB3 H 1.76 0.01 2
566 126 104 LYS HD2 H 1.71 0.01 2
567 126 104 LYS HD3 H 1.44 0.01 2
568 126 104 LYS HE2 H 2.99 0.01 2
569 126 104 LYS HE3 H 2.99 0.01 2
570 127 105 LYS HA H 3.61 0.01 1
571 127 105 LYS HB2 H 1.78 0.01 2
572 127 105 LYS HB3 H 1.72 0.01 2
573 127 105 LYS HD2 H 1.71 0.01 2
574 127 105 LYS HD3 H 1.21 0.01 2
575 127 105 LYS HE2 H 3.06 0.01 2
576 127 105 LYS HE3 H 3.06 0.01 2
577 127 105 LYS HG2 H 1.53 0.01 2
578 127 105 LYS HG3 H 1.53 0.01 2
579 128 106 ASN H H 7.47 0.01 1
580 128 106 ASN HA H 4.70 0.01 1
581 128 106 ASN HB2 H 3.31 0.01 2
582 128 106 ASN HB3 H 2.77 0.01 2
583 128 106 ASN HD21 H 7.59 0.01 2
584 128 106 ASN HD22 H 6.75 0.01 2
585 129 107 GLY H H 7.76 0.01 1
586 129 107 GLY HA2 H 3.35 0.01 2
587 129 107 GLY HA3 H 2.10 0.01 2
588 130 108 SER H H 7.42 0.01 1
589 130 108 SER HA H 4.74 0.01 1
590 130 108 SER HB2 H 3.90 0.01 2
591 130 108 SER HB3 H 3.90 0.01 2
592 131 109 CYS H H 9.17 0.01 1
593 131 109 CYS HA H 4.40 0.01 1
594 131 109 CYS HB2 H 3.10 0.01 2
595 131 109 CYS HB3 H 2.87 0.01 2
596 132 110 LYS H H 8.21 0.01 1
597 132 110 LYS HA H 4.38 0.01 1
598 132 110 LYS HB2 H 1.43 0.01 2
599 132 110 LYS HB3 H 1.43 0.01 2
600 132 110 LYS HD2 H 1.30 0.01 2
601 132 110 LYS HD3 H 1.30 0.01 2
602 132 110 LYS HE2 H 2.87 0.01 2
603 132 110 LYS HE3 H 2.87 0.01 2
604 132 110 LYS HG2 H 1.14 0.01 2
605 132 110 LYS HG3 H 1.14 0.01 2
606 133 111 ARG H H 8.70 0.01 1
607 133 111 ARG HA H 4.24 0.01 1
608 133 111 ARG HB2 H 1.55 0.01 2
609 133 111 ARG HB3 H 1.55 0.01 2
610 133 111 ARG HD2 H 3.15 0.01 2
611 133 111 ARG HD3 H 3.15 0.01 2
612 133 111 ARG HE H 7.35 0.01 1
613 133 111 ARG HG2 H 1.64 0.01 2
614 134 112 GLY H H 9.54 0.01 1
615 134 112 GLY HA2 H 3.88 0.01 2
616 134 112 GLY HA3 H 3.18 0.01 2
617 135 113 PRO HA H 4.34 0.01 1
618 135 113 PRO HB2 H 2.38 0.01 2
619 135 113 PRO HB3 H 1.92 0.01 2
620 135 113 PRO HG2 H 1.68 0.01 2
621 135 113 PRO HG3 H 1.52 0.01 2
622 136 114 ARG H H 8.17 0.01 1
623 136 114 ARG HA H 4.50 0.01 1
624 136 114 ARG HB2 H 2.12 0.01 2
625 136 114 ARG HB3 H 1.94 0.01 2
626 136 114 ARG HD2 H 3.22 0.01 2
627 136 114 ARG HD3 H 3.17 0.01 2
628 137 115 THR H H 7.76 0.01 1
629 137 115 THR HA H 5.17 0.01 1
630 137 115 THR HB H 4.08 0.01 1
631 137 115 THR HG1 H 6.22 0.01 1
632 137 115 THR HG2 H 1.12 0.01 1
633 138 116 HIS H H 7.23 0.01 1
634 138 116 HIS HA H 4.88 0.01 1
635 138 116 HIS HB2 H 3.38 0.01 2
636 138 116 HIS HB3 H 3.20 0.01 2
637 138 116 HIS HD2 H 7.28 0.01 1
638 138 116 HIS HE1 H 8.63 0.01 1
639 139 117 TYR H H 9.12 0.01 1
640 139 117 TYR HA H 3.91 0.01 1
641 139 117 TYR HB2 H 3.08 0.01 2
642 139 117 TYR HB3 H 2.94 0.01 2
643 139 117 TYR HD1 H 7.10 0.01 3
644 139 117 TYR HD2 H 7.10 0.01 3
645 139 117 TYR HE1 H 6.90 0.01 3
646 139 117 TYR HE2 H 6.90 0.01 3
647 140 118 GLY H H 8.12 0.01 1
648 140 118 GLY HA2 H 4.38 0.01 2
649 140 118 GLY HA3 H 3.28 0.01 2
650 141 119 GLN H H 7.10 0.01 1
651 141 119 GLN HA H 4.26 0.01 1
652 141 119 GLN HB2 H 2.08 0.01 2
653 142 120 LYS H H 8.58 0.01 1
654 142 120 LYS HA H 3.80 0.01 1
655 142 120 LYS HB2 H 1.56 0.01 2
656 142 120 LYS HB3 H 1.44 0.01 2
657 142 120 LYS HD2 H 1.58 0.01 2
658 142 120 LYS HD3 H 1.58 0.01 2
659 142 120 LYS HE2 H 2.93 0.01 2
660 142 120 LYS HE3 H 2.93 0.01 2
661 142 120 LYS HG2 H 1.28 0.01 2
662 142 120 LYS HG3 H 1.28 0.01 2
663 143 121 ALA H H 7.68 0.01 1
664 143 121 ALA HA H 3.92 0.01 1
665 143 121 ALA HB H 1.12 0.01 1
666 144 122 ILE H H 5.88 0.01 1
667 144 122 ILE HA H 5.17 0.01 1
668 144 122 ILE HB H 2.22 0.01 1
669 144 122 ILE HD1 H -0.13 0.01 1
670 144 122 ILE HG12 H 1.06 0.01 2
671 144 122 ILE HG13 H 0.82 0.01 2
672 144 122 ILE HG2 H 0.60 0.01 1
673 145 123 LEU H H 6.84 0.01 1
674 145 123 LEU HA H 4.61 0.01 1
675 145 123 LEU HB2 H 1.54 0.01 2
676 145 123 LEU HB3 H 1.54 0.01 2
677 146 124 PHE H H 9.36 0.01 1
678 146 124 PHE HA H 5.63 0.01 1
679 146 124 PHE HB2 H 3.14 0.01 2
680 146 124 PHE HB3 H 2.79 0.01 2
681 146 124 PHE HD1 H 7.20 0.01 3
682 146 124 PHE HD2 H 7.20 0.01 3
683 146 124 PHE HE1 H 7.32 0.01 3
684 146 124 PHE HE2 H 7.32 0.01 3
685 146 124 PHE HZ H 6.90 0.01 1
686 147 125 LEU H H 10.06 0.01 1
687 147 125 LEU HA H 5.25 0.01 1
688 147 125 LEU HB2 H 1.94 0.01 2
689 147 125 LEU HB3 H 1.38 0.01 2
690 147 125 LEU HD1 H 0.74 0.01 2
691 147 125 LEU HD2 H 0.74 0.01 2
692 147 125 LEU HG H 1.50 0.01 1
693 148 126 PRO HA H 5.60 0.01 1
694 148 126 PRO HB2 H 2.04 0.01 2
695 148 126 PRO HB3 H 2.04 0.01 2
696 148 126 PRO HD2 H 4.22 0.01 2
697 148 126 PRO HD3 H 3.94 0.01 2
698 148 126 PRO HG2 H 2.36 0.01 2
699 148 126 PRO HG3 H 2.36 0.01 2
700 149 127 LEU H H 9.80 0.01 1
701 149 127 LEU HA H 5.04 0.01 1
702 149 127 LEU HB2 H 1.72 0.01 2
703 149 127 LEU HB3 H 1.72 0.01 2
704 149 127 LEU HD1 H 0.90 0.01 2
705 149 127 LEU HD2 H 0.90 0.01 2
706 149 127 LEU HG H 1.86 0.01 1
707 150 128 PRO HB2 H 2.36 0.01 2
708 150 128 PRO HD2 H 3.84 0.01 2
709 150 128 PRO HD3 H 3.66 0.01 2
710 150 128 PRO HG2 H 2.04 0.01 2
711 150 128 PRO HG3 H 2.04 0.01 2
712 151 129 VAL H H 8.14 0.01 1
713 151 129 VAL HA H 3.78 0.01 1
714 151 129 VAL HB H 1.96 0.01 1
715 151 129 VAL HG1 H 0.84 0.01 2
716 151 129 VAL HG2 H 0.84 0.01 2
717 152 130 SER H H 7.98 0.01 1
718 152 130 SER HA H 4.55 0.01 1
719 152 130 SER HB2 H 3.85 0.01 2
720 152 130 SER HB3 H 3.78 0.01 2
721 153 131 SER H H 8.51 0.01 1
722 153 131 SER HA H 4.46 0.01 1
723 153 131 SER HB2 H 3.89 0.01 2
724 153 131 SER HB3 H 3.83 0.01 2
725 154 132 ASP H H 8.05 0.01 1
726 154 132 ASP HA H 4.40 0.01 1
727 154 132 ASP HB2 H 2.68 0.01 2
728 154 132 ASP HB3 H 2.54 0.01 2
stop_
save_