data_6045
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein
PF0455
;
_BMRB_accession_number 6045
_BMRB_flat_file_name bmr6045.str
_Entry_type original
_Submission_date 2003-12-12
_Accession_date 2003-12-15
_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 Liu Gaohua . .
2 Atreya Hanndatta S. .
3 Sukumaran Dinesh K. .
4 Xiao Rong . .
5 Acton Tom . .
6 Montelione Gaetano T. .
7 Szyperski Thomas . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
coupling_constants 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 742
"13C chemical shifts" 533
"15N chemical shifts" 117
"coupling constants" 96
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-04-06 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein
PF0455
;
_Citation_status 'in preparation'
_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 Liu Gaohua . .
2 Atreya Hanndatta S. .
3 Sukumaran Dinesh K. .
4 Xiao Rong . .
5 Acton Tom . .
6 Montelione Gaetano T. .
7 Szyperski Thomas . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_pfr13
_Saveframe_category molecular_system
_Mol_system_name 'pfr13 monomer'
_Abbreviation_common pfr13
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'pfr13 monomer' $pfr13_monomer
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_pfr13_monomer
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Hypothetical protein PF0455'
_Abbreviation_common pfr13
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 110
_Mol_residue_sequence
;
MEWEMGLQEEFLELIKLRKK
KIEGRLYDEKRRQIKPGDVI
SFEGGKLKVRVKAIRVYNSF
REMLEKEGLENVLPGVKSIE
EGIQVYRRFYDEEKEKKYGV
VAIEIEPLEY
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLU 3 TRP 4 GLU 5 MET
6 GLY 7 LEU 8 GLN 9 GLU 10 GLU
11 PHE 12 LEU 13 GLU 14 LEU 15 ILE
16 LYS 17 LEU 18 ARG 19 LYS 20 LYS
21 LYS 22 ILE 23 GLU 24 GLY 25 ARG
26 LEU 27 TYR 28 ASP 29 GLU 30 LYS
31 ARG 32 ARG 33 GLN 34 ILE 35 LYS
36 PRO 37 GLY 38 ASP 39 VAL 40 ILE
41 SER 42 PHE 43 GLU 44 GLY 45 GLY
46 LYS 47 LEU 48 LYS 49 VAL 50 ARG
51 VAL 52 LYS 53 ALA 54 ILE 55 ARG
56 VAL 57 TYR 58 ASN 59 SER 60 PHE
61 ARG 62 GLU 63 MET 64 LEU 65 GLU
66 LYS 67 GLU 68 GLY 69 LEU 70 GLU
71 ASN 72 VAL 73 LEU 74 PRO 75 GLY
76 VAL 77 LYS 78 SER 79 ILE 80 GLU
81 GLU 82 GLY 83 ILE 84 GLN 85 VAL
86 TYR 87 ARG 88 ARG 89 PHE 90 TYR
91 ASP 92 GLU 93 GLU 94 LYS 95 GLU
96 LYS 97 LYS 98 TYR 99 GLY 100 VAL
101 VAL 102 ALA 103 ILE 104 GLU 105 ILE
106 GLU 107 PRO 108 LEU 109 GLU 110 TYR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-11-09
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 1S04 "Solution Nmr Structure Of Protein Pf0455 From Pyrococcus Furiosus. Northeast Structural Genomics Consortium Target Pfr13" 99.09 110 100.00 100.00 2.08e-66
GB AAL80579 "hypothetical protein PF0455 [Pyrococcus furiosus DSM 3638]" 100.00 110 100.00 100.00 2.77e-67
GB AFN03249 "hypothetical protein PFC_01390 [Pyrococcus furiosus COM1]" 100.00 110 100.00 100.00 2.77e-67
REF NP_578184 "hypothetical protein PF0455 [Pyrococcus furiosus DSM 3638]" 100.00 110 100.00 100.00 2.77e-67
REF WP_011011572 "isomerase [Pyrococcus furiosus]" 100.00 110 100.00 100.00 2.77e-67
REF YP_006491541 "hypothetical protein PFC_01390 [Pyrococcus furiosus COM1]" 100.00 110 100.00 100.00 2.77e-67
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$pfr13_monomer 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$pfr13_monomer 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$pfr13_monomer 1.0 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_list
_Saveframe_category NMR_spectrometer
_Manufacturer .
_Model .
_Field_strength .
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_GFT_(4,3)D_HNNCACBCA_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HNNCACBCA'
_Sample_label .
save_
save_GFT_(4,3)D_HNN(CO)CACBCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HNN(CO)CACBCA'
_Sample_label .
save_
save_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_3D_RD_HCCHCOSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D RD HCCHCOSY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HNNCACBCA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HNN(CO)CACBCA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D RD HCCHCOSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.2 pH
temperature 298 1 K
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 . . . 1.0
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Ex-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'pfr13 monomer'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 1 MET CA C 54.7 0.05 1
2 . 1 MET HA H 3.92 0.02 1
3 . 1 MET CB C 33.0 0.05 1
4 . 1 MET HB2 H 1.51 0.02 2
5 . 1 MET HB3 H 1.88 0.02 2
6 . 1 MET CG C 31.4 0.05 1
7 . 1 MET HG2 H 1.54 0.02 2
8 . 1 MET HG3 H 2.02 0.02 2
9 . 1 MET C C 173.7 0.05 1
10 . 2 GLU N N 124.5 0.05 1
11 . 2 GLU H H 7.89 0.02 1
12 . 2 GLU CA C 54.7 0.05 1
13 . 2 GLU HA H 5.20 0.02 1
14 . 2 GLU CB C 31.8 0.05 1
15 . 2 GLU HB2 H 1.72 0.02 1
16 . 2 GLU HB3 H 1.72 0.02 1
17 . 2 GLU CG C 37.1 0.05 1
18 . 2 GLU HG2 H 1.82 0.02 2
19 . 2 GLU HG3 H 1.88 0.02 2
20 . 2 GLU C C 177.3 0.05 1
21 . 3 TRP N N 127.2 0.05 1
22 . 3 TRP H H 8.72 0.02 1
23 . 3 TRP CA C 54.9 0.05 1
24 . 3 TRP HA H 4.81 0.02 1
25 . 3 TRP CB C 32.7 0.05 1
26 . 3 TRP HB2 H 2.74 0.02 2
27 . 3 TRP HB3 H 3.19 0.02 2
28 . 3 TRP CD1 C 127.3 0.05 1
29 . 3 TRP CE3 C 120.2 0.05 1
30 . 3 TRP NE1 N 131.2 0.05 1
31 . 3 TRP HD1 H 6.81 0.02 1
32 . 3 TRP HE3 H 7.67 0.02 1
33 . 3 TRP CZ3 C 122.2 0.05 1
34 . 3 TRP CZ2 C 115.5 0.05 1
35 . 3 TRP HE1 H 10.75 0.02 1
36 . 3 TRP HZ3 H 7.07 0.02 1
37 . 3 TRP CH2 C 125.5 0.05 1
38 . 3 TRP HZ2 H 7.38 0.02 1
39 . 3 TRP HH2 H 7.15 0.02 1
40 . 3 TRP C C 178.0 0.05 1
41 . 4 GLU N N 123.8 0.05 1
42 . 4 GLU H H 8.94 0.02 1
43 . 4 GLU CA C 55.7 0.05 1
44 . 4 GLU HA H 5.28 0.02 1
45 . 4 GLU CB C 31.2 0.05 1
46 . 4 GLU HB2 H 2.03 0.02 2
47 . 4 GLU HB3 H 2.08 0.02 2
48 . 4 GLU CG C 36.5 0.05 1
49 . 4 GLU HG2 H 2.27 0.02 2
50 . 4 GLU HG3 H 2.33 0.02 2
51 . 4 GLU C C 179.8 0.05 1
52 . 5 MET N N 122.4 0.05 1
53 . 5 MET H H 8.42 0.02 1
54 . 5 MET CA C 56.1 0.05 1
55 . 5 MET HA H 4.79 0.02 1
56 . 5 MET CB C 38.3 0.05 1
57 . 5 MET HB2 H 1.79 0.02 2
58 . 5 MET HB3 H 2.25 0.02 2
59 . 5 MET CG C 34.1 0.05 1
60 . 5 MET HG2 H 2.34 0.02 2
61 . 5 MET HG3 H 2.72 0.02 2
62 . 5 MET HE H 1.81 0.02 1
63 . 5 MET CE C 17.9 0.05 1
64 . 5 MET C C 177.6 0.05 1
65 . 6 GLY N N 111.7 0.05 1
66 . 6 GLY H H 8.83 0.02 1
67 . 6 GLY CA C 44.7 0.05 1
68 . 6 GLY HA2 H 4.69 0.02 2
69 . 6 GLY HA3 H 3.75 0.02 2
70 . 6 GLY C C 176.1 0.05 1
71 . 7 LEU N N 124.1 0.05 1
72 . 7 LEU H H 9.42 0.02 1
73 . 7 LEU CA C 55.6 0.05 1
74 . 7 LEU HA H 4.29 0.02 1
75 . 7 LEU CB C 46.3 0.05 1
76 . 7 LEU HB2 H 1.32 0.02 2
77 . 7 LEU HB3 H 1.24 0.02 2
78 . 7 LEU CG C 26.3 0.05 1
79 . 7 LEU HG H 1.74 0.02 1
80 . 7 LEU HD1 H -0.16 0.02 2
81 . 7 LEU HD2 H 0.63 0.02 2
82 . 7 LEU CD1 C 26.0 0.05 1
83 . 7 LEU CD2 C 23.6 0.05 1
84 . 7 LEU C C 177.2 0.05 1
85 . 8 GLN N N 124.6 0.05 1
86 . 8 GLN H H 8.33 0.02 1
87 . 8 GLN CA C 57.6 0.05 1
88 . 8 GLN HA H 4.13 0.02 1
89 . 8 GLN CB C 29.0 0.05 1
90 . 8 GLN HB2 H 1.92 0.02 2
91 . 8 GLN HB3 H 2.07 0.02 2
92 . 8 GLN CG C 34.6 0.05 1
93 . 8 GLN HG2 H 2.37 0.02 2
94 . 8 GLN HG3 H 2.44 0.02 2
95 . 8 GLN NE2 N 112.4 0.05 1
96 . 8 GLN HE21 H 6.54 0.02 2
97 . 8 GLN HE22 H 7.37 0.02 2
98 . 8 GLN C C 180.8 0.05 1
99 . 9 GLU N N 125.6 0.05 1
100 . 9 GLU H H 8.71 0.02 1
101 . 9 GLU CA C 60.4 0.05 1
102 . 9 GLU HA H 3.83 0.02 1
103 . 9 GLU CB C 29.8 0.05 1
104 . 9 GLU HB2 H 1.98 0.02 2
105 . 9 GLU HB3 H 2.12 0.02 2
106 . 9 GLU CG C 35.9 0.05 1
107 . 9 GLU HG2 H 2.35 0.02 1
108 . 9 GLU HG3 H 2.35 0.02 1
109 . 9 GLU C C 181.3 0.05 1
110 . 10 GLU N N 118.3 0.05 1
111 . 10 GLU H H 9.42 0.02 1
112 . 10 GLU CA C 59.4 0.05 1
113 . 10 GLU HA H 4.01 0.02 1
114 . 10 GLU CB C 28.8 0.05 1
115 . 10 GLU HB2 H 1.70 0.02 1
116 . 10 GLU HB3 H 1.70 0.02 1
117 . 10 GLU CG C 35.6 0.05 1
118 . 10 GLU HG2 H 1.70 0.02 1
119 . 10 GLU HG3 H 1.70 0.02 1
120 . 10 GLU C C 181.4 0.05 1
121 . 11 PHE N N 116.2 0.05 1
122 . 11 PHE H H 7.28 0.02 1
123 . 11 PHE CA C 58.5 0.05 1
124 . 11 PHE HA H 4.56 0.02 1
125 . 11 PHE CB C 38.7 0.05 1
126 . 11 PHE HB2 H 2.95 0.02 2
127 . 11 PHE HB3 H 2.89 0.02 2
128 . 11 PHE HD1 H 7.15 0.02 1
129 . 11 PHE HD2 H 7.15 0.02 1
130 . 11 PHE HE1 H 7.37 0.02 1
131 . 11 PHE HE2 H 7.37 0.02 1
132 . 11 PHE CD1 C 130.5 0.05 1
133 . 11 PHE CE1 C 132.3 0.05 1
134 . 11 PHE CZ C 130.6 0.05 1
135 . 11 PHE HZ H 7.09 0.02 1
136 . 11 PHE CE2 C 132.3 0.05 1
137 . 11 PHE CD2 C 130.5 0.05 1
138 . 11 PHE C C 180.1 0.05 1
139 . 12 LEU N N 122.7 0.05 1
140 . 12 LEU H H 7.78 0.02 1
141 . 12 LEU CA C 59.9 0.05 1
142 . 12 LEU HA H 3.62 0.02 1
143 . 12 LEU CB C 41.8 0.05 1
144 . 12 LEU HB2 H 1.64 0.02 2
145 . 12 LEU HB3 H 1.79 0.02 2
146 . 12 LEU CG C 27.7 0.05 1
147 . 12 LEU HG H 1.57 0.02 1
148 . 12 LEU HD1 H 0.73 0.02 2
149 . 12 LEU HD2 H 0.88 0.02 2
150 . 12 LEU CD1 C 25.5 0.05 1
151 . 12 LEU CD2 C 26.9 0.05 1
152 . 12 LEU C C 182.2 0.05 1
153 . 13 GLU N N 118.4 0.05 1
154 . 13 GLU H H 8.21 0.02 1
155 . 13 GLU CA C 59.5 0.05 1
156 . 13 GLU HA H 4.02 0.02 1
157 . 13 GLU CB C 29.4 0.05 1
158 . 13 GLU HB2 H 2.02 0.02 1
159 . 13 GLU HB3 H 2.02 0.02 1
160 . 13 GLU CG C 35.5 0.05 1
161 . 13 GLU HG2 H 2.33 0.02 1
162 . 13 GLU HG3 H 2.33 0.02 1
163 . 13 GLU C C 181.4 0.05 1
164 . 14 LEU N N 116.0 0.05 1
165 . 14 LEU H H 7.07 0.02 1
166 . 14 LEU CA C 58.2 0.05 1
167 . 14 LEU HA H 4.07 0.02 1
168 . 14 LEU CB C 43.6 0.05 1
169 . 14 LEU HB2 H 1.33 0.02 2
170 . 14 LEU HB3 H 1.97 0.02 2
171 . 14 LEU CG C 27.0 0.05 1
172 . 14 LEU HG H 2.00 0.02 1
173 . 14 LEU HD1 H 0.88 0.02 2
174 . 14 LEU HD2 H 1.00 0.02 2
175 . 14 LEU CD1 C 23.1 0.05 1
176 . 14 LEU CD2 C 26.6 0.05 1
177 . 14 LEU C C 183.2 0.05 1
178 . 15 ILE N N 122.7 0.05 1
179 . 15 ILE H H 8.13 0.02 1
180 . 15 ILE CA C 65.0 0.05 1
181 . 15 ILE HA H 4.28 0.02 1
182 . 15 ILE CB C 37.9 0.05 1
183 . 15 ILE HB H 1.86 0.02 1
184 . 15 ILE HG2 H 0.87 0.02 1
185 . 15 ILE CG2 C 18.8 0.05 1
186 . 15 ILE CG1 C 28.3 0.05 1
187 . 15 ILE HG12 H 1.88 0.02 2
188 . 15 ILE HG13 H 0.85 0.02 2
189 . 15 ILE HD1 H 0.40 0.02 1
190 . 15 ILE CD1 C 15.0 0.05 1
191 . 15 ILE C C 183.1 0.05 1
192 . 16 LYS N N 124.6 0.05 1
193 . 16 LYS H H 8.14 0.02 1
194 . 16 LYS CA C 61.0 0.05 1
195 . 16 LYS HA H 3.83 0.02 1
196 . 16 LYS CB C 32.8 0.05 1
197 . 16 LYS HB2 H 1.94 0.02 2
198 . 16 LYS HB3 H 2.04 0.02 2
199 . 16 LYS CG C 25.9 0.05 1
200 . 16 LYS HG2 H 1.42 0.02 2
201 . 16 LYS HG3 H 1.60 0.02 2
202 . 16 LYS CD C 29.9 0.05 1
203 . 16 LYS HD2 H 1.68 0.02 2
204 . 16 LYS HD3 H 1.71 0.02 2
205 . 16 LYS CE C 42.2 0.05 1
206 . 16 LYS HE2 H 2.87 0.02 2
207 . 16 LYS HE3 H 2.95 0.02 2
208 . 16 LYS C C 181.0 0.05 1
209 . 17 LEU N N 115.7 0.05 1
210 . 17 LEU H H 7.89 0.02 1
211 . 17 LEU CA C 55.5 0.05 1
212 . 17 LEU HA H 4.27 0.02 1
213 . 17 LEU CB C 43.2 0.05 1
214 . 17 LEU HB2 H 1.66 0.02 2
215 . 17 LEU HB3 H 1.71 0.02 2
216 . 17 LEU CG C 27.0 0.05 1
217 . 17 LEU HG H 1.89 0.02 1
218 . 17 LEU HD1 H 0.89 0.02 1
219 . 17 LEU HD2 H 0.89 0.02 1
220 . 17 LEU CD1 C 22.5 0.05 1
221 . 17 LEU CD2 C 25.8 0.05 1
222 . 17 LEU C C 179.1 0.05 1
223 . 18 ARG N N 112.8 0.05 1
224 . 18 ARG H H 7.96 0.02 1
225 . 18 ARG CA C 57.6 0.05 1
226 . 18 ARG HA H 4.08 0.02 1
227 . 18 ARG CB C 26.2 0.05 1
228 . 18 ARG HB2 H 2.10 0.02 2
229 . 18 ARG HB3 H 2.15 0.02 2
230 . 18 ARG CG C 28.5 0.05 1
231 . 18 ARG HG2 H 1.46 0.02 2
232 . 18 ARG HG3 H 1.64 0.02 2
233 . 18 ARG CD C 43.5 0.05 1
234 . 18 ARG HD2 H 3.18 0.02 1
235 . 18 ARG HD3 H 3.18 0.02 1
236 . 18 ARG NE N 113.7 0.05 1
237 . 18 ARG HE H 7.44 0.02 1
238 . 18 ARG C C 177.7 0.05 1
239 . 19 LYS N N 115.9 0.05 1
240 . 19 LYS H H 7.69 0.02 1
241 . 19 LYS CA C 57.5 0.05 1
242 . 19 LYS HA H 4.36 0.02 1
243 . 19 LYS CB C 33.8 0.05 1
244 . 19 LYS HB2 H 1.65 0.02 2
245 . 19 LYS HB3 H 1.89 0.02 2
246 . 19 LYS CG C 25.6 0.05 1
247 . 19 LYS HG2 H 1.42 0.02 2
248 . 19 LYS HG3 H 1.44 0.02 2
249 . 19 LYS CD C 29.3 0.05 1
250 . 19 LYS HD2 H 1.63 0.02 1
251 . 19 LYS HD3 H 1.63 0.02 1
252 . 19 LYS CE C 42.0 0.05 1
253 . 19 LYS HE2 H 2.95 0.02 1
254 . 19 LYS HE3 H 2.95 0.02 1
255 . 19 LYS C C 178.9 0.05 1
256 . 20 LYS N N 118.4 0.05 1
257 . 20 LYS H H 6.89 0.02 1
258 . 20 LYS CA C 55.0 0.05 1
259 . 20 LYS HA H 4.32 0.02 1
260 . 20 LYS CB C 35.5 0.05 1
261 . 20 LYS HB2 H 1.49 0.02 1
262 . 20 LYS HB3 H 1.49 0.02 1
263 . 20 LYS CG C 26.3 0.05 1
264 . 20 LYS HG2 H 0.86 0.02 2
265 . 20 LYS HG3 H 1.07 0.02 2
266 . 20 LYS CD C 30.2 0.05 1
267 . 20 LYS HD2 H 1.51 0.02 2
268 . 20 LYS HD3 H 1.58 0.02 2
269 . 20 LYS CE C 42.2 0.05 1
270 . 20 LYS HE2 H 2.82 0.02 2
271 . 20 LYS HE3 H 2.89 0.02 2
272 . 20 LYS C C 177.2 0.05 1
273 . 21 LYS N N 127.4 0.05 1
274 . 21 LYS H H 8.29 0.02 1
275 . 21 LYS CA C 57.0 0.05 1
276 . 21 LYS HA H 4.42 0.02 1
277 . 21 LYS CB C 35.3 0.05 1
278 . 21 LYS HB2 H 1.67 0.02 2
279 . 21 LYS HB3 H 2.21 0.02 2
280 . 21 LYS CG C 25.7 0.05 1
281 . 21 LYS HG2 H 1.34 0.02 2
282 . 21 LYS HG3 H 1.42 0.02 2
283 . 21 LYS CD C 29.6 0.05 1
284 . 21 LYS HD2 H 1.74 0.02 1
285 . 21 LYS HD3 H 1.74 0.02 1
286 . 21 LYS CE C 42.7 0.05 1
287 . 21 LYS HE2 H 3.05 0.02 1
288 . 21 LYS HE3 H 3.05 0.02 1
289 . 21 LYS C C 176.3 0.05 1
290 . 22 ILE N N 117.3 0.05 1
291 . 22 ILE H H 7.30 0.02 1
292 . 22 ILE CA C 56.8 0.05 1
293 . 22 ILE HA H 4.92 0.02 1
294 . 22 ILE CB C 40.5 0.05 1
295 . 22 ILE HB H 1.77 0.02 1
296 . 22 ILE HG2 H 0.61 0.02 1
297 . 22 ILE CG2 C 18.7 0.05 1
298 . 22 ILE CG1 C 27.1 0.05 1
299 . 22 ILE HG12 H 1.33 0.02 2
300 . 22 ILE HG13 H 1.27 0.02 2
301 . 22 ILE HD1 H 0.65 0.02 1
302 . 22 ILE CD1 C 10.6 0.05 1
303 . 22 ILE C C 179.0 0.05 1
304 . 23 GLU N N 129.8 0.05 1
305 . 23 GLU H H 9.57 0.02 1
306 . 23 GLU CA C 54.4 0.05 1
307 . 23 GLU HA H 5.19 0.02 1
308 . 23 GLU CB C 31.7 0.05 1
309 . 23 GLU HB2 H 1.81 0.02 1
310 . 23 GLU HB3 H 1.81 0.02 1
311 . 23 GLU CG C 34.9 0.05 1
312 . 23 GLU HG2 H 2.03 0.02 2
313 . 23 GLU HG3 H 2.36 0.02 2
314 . 24 GLY CA C 44.4 0.05 1
315 . 24 GLY HA2 H 5.49 0.02 2
316 . 24 GLY HA3 H 3.18 0.02 2
317 . 24 GLY C C 175.7 0.05 1
318 . 25 ARG N N 121.9 0.05 1
319 . 25 ARG H H 8.63 0.02 1
320 . 25 ARG CA C 53.0 0.05 1
321 . 25 ARG HA H 4.58 0.02 1
322 . 25 ARG CB C 35.4 0.05 1
323 . 25 ARG HB2 H 1.43 0.02 2
324 . 25 ARG HB3 H 2.19 0.02 2
325 . 25 ARG CG C 27.6 0.05 1
326 . 25 ARG HG2 H 1.41 0.02 1
327 . 25 ARG HG3 H 1.41 0.02 1
328 . 25 ARG CD C 42.7 0.05 1
329 . 25 ARG HD2 H 3.36 0.02 2
330 . 25 ARG HD3 H 3.52 0.02 2
331 . 25 ARG C C 177.9 0.05 1
332 . 26 LEU N N 119.4 0.05 1
333 . 26 LEU H H 7.28 0.02 1
334 . 26 LEU CA C 55.3 0.05 1
335 . 26 LEU HA H 4.21 0.02 1
336 . 26 LEU CB C 43.2 0.05 1
337 . 26 LEU HB2 H 1.13 0.02 2
338 . 26 LEU HB3 H 1.22 0.02 2
339 . 26 LEU CG C 26.6 0.05 1
340 . 26 LEU HG H 1.11 0.02 1
341 . 26 LEU HD1 H 0.75 0.02 2
342 . 26 LEU HD2 H 0.97 0.02 2
343 . 26 LEU CD1 C 24.5 0.05 1
344 . 26 LEU CD2 C 26.7 0.05 1
345 . 26 LEU C C 180.2 0.05 1
346 . 27 TYR N N 129.2 0.05 1
347 . 27 TYR H H 8.49 0.02 1
348 . 27 TYR CA C 54.3 0.05 1
349 . 27 TYR HA H 4.52 0.02 1
350 . 27 TYR CB C 35.3 0.05 1
351 . 27 TYR HB2 H 1.97 0.02 2
352 . 27 TYR HB3 H 3.37 0.02 2
353 . 27 TYR HD1 H 6.83 0.02 1
354 . 27 TYR HD2 H 6.83 0.02 1
355 . 27 TYR HE1 H 6.63 0.02 1
356 . 27 TYR HE2 H 6.63 0.02 1
357 . 27 TYR CD1 C 132.0 0.05 1
358 . 27 TYR CE1 C 118.4 0.05 1
359 . 27 TYR CE2 C 118.4 0.05 1
360 . 27 TYR CD2 C 132.0 0.05 1
361 . 27 TYR C C 177.4 0.05 1
362 . 28 ASP N N 121.5 0.05 1
363 . 28 ASP H H 7.53 0.02 1
364 . 28 ASP CA C 52.2 0.05 1
365 . 28 ASP HA H 3.69 0.02 1
366 . 28 ASP CB C 40.2 0.05 1
367 . 28 ASP HB2 H 1.48 0.02 2
368 . 28 ASP HB3 H 2.44 0.02 2
369 . 28 ASP C C 177.9 0.05 1
370 . 29 GLU N N 117.2 0.05 1
371 . 29 GLU H H 8.71 0.02 1
372 . 29 GLU CA C 61.8 0.05 1
373 . 29 GLU HA H 3.54 0.02 1
374 . 29 GLU CB C 28.7 0.05 1
375 . 29 GLU HB2 H 1.87 0.02 2
376 . 29 GLU HB3 H 1.98 0.02 2
377 . 29 GLU CG C 37.1 0.05 1
378 . 29 GLU HG2 H 2.27 0.02 2
379 . 29 GLU HG3 H 2.46 0.02 2
380 . 29 GLU C C 182.4 0.05 1
381 . 30 LYS N N 116.9 0.05 1
382 . 30 LYS H H 7.91 0.02 1
383 . 30 LYS CA C 58.8 0.05 1
384 . 30 LYS HA H 3.94 0.02 1
385 . 30 LYS CB C 32.4 0.05 1
386 . 30 LYS HB2 H 1.56 0.02 1
387 . 30 LYS HB3 H 1.56 0.02 1
388 . 30 LYS CG C 25.8 0.05 1
389 . 30 LYS HG2 H 1.32 0.02 2
390 . 30 LYS HG3 H 1.48 0.02 2
391 . 30 LYS CD C 29.3 0.05 1
392 . 30 LYS HD2 H 1.73 0.02 1
393 . 30 LYS HD3 H 1.73 0.02 1
394 . 30 LYS CE C 42.5 0.05 1
395 . 30 LYS HE2 H 3.07 0.02 1
396 . 30 LYS HE3 H 3.07 0.02 1
397 . 30 LYS C C 182.0 0.05 1
398 . 31 ARG N N 120.7 0.05 1
399 . 31 ARG H H 7.51 0.02 1
400 . 31 ARG CA C 57.0 0.05 1
401 . 31 ARG HA H 3.67 0.02 1
402 . 31 ARG CB C 29.4 0.05 1
403 . 31 ARG HB2 H 2.31 0.02 1
404 . 31 ARG HB3 H 2.31 0.02 1
405 . 31 ARG CG C 29.4 0.05 1
406 . 31 ARG HG2 H 1.84 0.02 1
407 . 31 ARG HG3 H 1.84 0.02 1
408 . 31 ARG CD C 40.9 0.05 1
409 . 31 ARG HD2 H 2.74 0.02 2
410 . 31 ARG HD3 H 2.99 0.02 2
411 . 31 ARG C C 181.8 0.05 1
412 . 32 ARG N N 118.8 0.05 1
413 . 32 ARG H H 7.83 0.02 1
414 . 32 ARG CA C 58.7 0.05 1
415 . 32 ARG HA H 3.75 0.02 1
416 . 32 ARG CB C 29.8 0.05 1
417 . 32 ARG HB2 H 1.32 0.02 2
418 . 32 ARG HB3 H 1.50 0.02 2
419 . 32 ARG CG C 27.3 0.05 1
420 . 32 ARG HG2 H 0.05 0.02 2
421 . 32 ARG HG3 H 0.75 0.02 2
422 . 32 ARG CD C 43.8 0.05 1
423 . 32 ARG HD2 H 2.47 0.02 2
424 . 32 ARG HD3 H 2.78 0.02 2
425 . 32 ARG NE N 115.5 0.05 1
426 . 32 ARG HE H 6.37 0.02 1
427 . 32 ARG C C 179.2 0.05 1
428 . 33 GLN N N 115.2 0.05 1
429 . 33 GLN H H 6.93 0.02 1
430 . 33 GLN CA C 56.0 0.05 1
431 . 33 GLN HA H 4.17 0.02 1
432 . 33 GLN CB C 30.6 0.05 1
433 . 33 GLN HB2 H 1.66 0.02 2
434 . 33 GLN HB3 H 2.37 0.02 2
435 . 33 GLN CG C 34.4 0.05 1
436 . 33 GLN HG2 H 2.25 0.02 2
437 . 33 GLN HG3 H 2.37 0.02 2
438 . 33 GLN NE2 N 112.4 0.05 1
439 . 33 GLN HE21 H 6.89 0.02 2
440 . 33 GLN HE22 H 7.22 0.02 2
441 . 33 GLN C C 178.5 0.05 1
442 . 34 ILE N N 119.3 0.05 1
443 . 34 ILE H H 6.60 0.02 1
444 . 34 ILE CA C 63.3 0.05 1
445 . 34 ILE HA H 3.73 0.02 1
446 . 34 ILE CB C 38.0 0.05 1
447 . 34 ILE HB H 1.45 0.02 1
448 . 34 ILE HG2 H 0.76 0.02 1
449 . 34 ILE CG2 C 18.2 0.05 1
450 . 34 ILE CG1 C 26.2 0.05 1
451 . 34 ILE HG12 H 0.93 0.02 2
452 . 34 ILE HG13 H -0.59 0.02 2
453 . 34 ILE HD1 H 0.34 0.02 1
454 . 34 ILE CD1 C 14.5 0.05 1
455 . 34 ILE C C 177.7 0.05 1
456 . 35 LYS N N 128.1 0.05 1
457 . 35 LYS H H 8.81 0.02 1
458 . 35 LYS CA C 53.3 0.05 1
459 . 35 LYS HA H 4.91 0.02 1
460 . 35 LYS CB C 34.4 0.05 1
461 . 35 LYS HB2 H 1.67 0.02 2
462 . 35 LYS HB3 H 1.75 0.02 2
463 . 35 LYS CG C 24.6 0.05 1
464 . 35 LYS HG2 H 1.46 0.02 2
465 . 35 LYS HG3 H 1.53 0.02 2
466 . 35 LYS CD C 29.1 0.05 1
467 . 35 LYS HD2 H 1.74 0.02 1
468 . 35 LYS HD3 H 1.74 0.02 1
469 . 35 LYS CE C 42.6 0.05 1
470 . 35 LYS HE2 H 3.04 0.02 1
471 . 35 LYS HE3 H 3.04 0.02 1
472 . 36 PRO CD C 51.1 0.05 1
473 . 36 PRO CA C 64.1 0.05 1
474 . 36 PRO HA H 3.91 0.02 1
475 . 36 PRO CB C 31.4 0.05 1
476 . 36 PRO HB2 H 1.87 0.02 2
477 . 36 PRO HB3 H 2.11 0.02 2
478 . 36 PRO CG C 29.4 0.05 1
479 . 36 PRO HG2 H 1.62 0.02 2
480 . 36 PRO HG3 H 2.29 0.02 2
481 . 36 PRO HD2 H 3.60 0.02 2
482 . 36 PRO HD3 H 3.71 0.02 2
483 . 36 PRO C C 180.0 0.05 1
484 . 37 GLY N N 115.0 0.05 1
485 . 37 GLY H H 9.28 0.02 1
486 . 37 GLY CA C 45.2 0.05 1
487 . 37 GLY HA2 H 4.57 0.02 2
488 . 37 GLY HA3 H 3.56 0.02 2
489 . 37 GLY C C 178.1 0.05 1
490 . 38 ASP N N 121.9 0.05 1
491 . 38 ASP H H 8.05 0.02 1
492 . 38 ASP CA C 55.5 0.05 1
493 . 38 ASP HA H 4.92 0.02 1
494 . 38 ASP CB C 42.8 0.05 1
495 . 38 ASP HB2 H 3.05 0.02 2
496 . 38 ASP HB3 H 3.09 0.02 2
497 . 38 ASP C C 176.6 0.05 1
498 . 39 VAL N N 119.8 0.05 1
499 . 39 VAL H H 8.39 0.02 1
500 . 39 VAL CA C 60.6 0.05 1
501 . 39 VAL HA H 5.12 0.02 1
502 . 39 VAL CB C 36.3 0.05 1
503 . 39 VAL HB H 1.73 0.02 1
504 . 39 VAL HG1 H 0.86 0.02 2
505 . 39 VAL HG2 H 0.95 0.02 2
506 . 39 VAL CG1 C 21.4 0.05 1
507 . 39 VAL CG2 C 22.4 0.05 1
508 . 39 VAL C C 179.1 0.05 1
509 . 40 ILE N N 124.6 0.05 1
510 . 40 ILE H H 8.86 0.02 1
511 . 40 ILE CA C 60.1 0.05 1
512 . 40 ILE HA H 4.63 0.02 1
513 . 40 ILE CB C 40.6 0.05 1
514 . 40 ILE HB H 1.07 0.02 1
515 . 40 ILE HG2 H -0.08 0.02 1
516 . 40 ILE CG2 C 16.9 0.05 1
517 . 40 ILE CG1 C 27.7 0.05 1
518 . 40 ILE HG12 H 0.71 0.02 2
519 . 40 ILE HG13 H 1.40 0.02 2
520 . 40 ILE HD1 H 0.61 0.02 1
521 . 40 ILE CD1 C 14.7 0.05 1
522 . 40 ILE C C 177.2 0.05 1
523 . 41 SER N N 122.1 0.05 1
524 . 41 SER H H 9.04 0.02 1
525 . 41 SER CA C 55.6 0.05 1
526 . 41 SER HA H 4.77 0.02 1
527 . 41 SER CB C 63.5 0.05 1
528 . 41 SER HB2 H 3.36 0.02 2
529 . 41 SER HB3 H 3.78 0.02 2
530 . 41 SER C C 177.6 0.05 1
531 . 42 PHE N N 127.3 0.05 1
532 . 42 PHE H H 9.27 0.02 1
533 . 42 PHE CA C 56.8 0.05 1
534 . 42 PHE HA H 5.88 0.02 1
535 . 42 PHE CB C 41.8 0.05 1
536 . 42 PHE HB2 H 2.87 0.02 2
537 . 42 PHE HB3 H 2.96 0.02 2
538 . 42 PHE HD1 H 7.00 0.02 1
539 . 42 PHE HD2 H 7.00 0.02 1
540 . 42 PHE HE1 H 7.08 0.02 1
541 . 42 PHE HE2 H 7.08 0.02 1
542 . 42 PHE CD1 C 132.4 0.05 1
543 . 42 PHE CE1 C 131.8 0.05 1
544 . 42 PHE CZ C 127.9 0.05 1
545 . 42 PHE HZ H 6.72 0.02 1
546 . 42 PHE CE2 C 131.8 0.05 1
547 . 42 PHE CD2 C 132.4 0.05 1
548 . 42 PHE C C 180.8 0.05 1
549 . 43 GLU N N 119.1 0.05 1
550 . 43 GLU H H 8.93 0.02 1
551 . 43 GLU CA C 56.3 0.05 1
552 . 43 GLU HA H 4.03 0.02 1
553 . 43 GLU CB C 28.3 0.05 1
554 . 43 GLU HB2 H 1.94 0.02 2
555 . 43 GLU HB3 H 2.43 0.02 2
556 . 43 GLU CG C 37.0 0.05 1
557 . 43 GLU HG2 H 2.42 0.02 2
558 . 43 GLU HG3 H 2.59 0.02 2
559 . 43 GLU C C 180.1 0.05 1
560 . 44 GLY N N 108.1 0.05 1
561 . 44 GLY H H 9.31 0.02 1
562 . 44 GLY CA C 46.9 0.05 1
563 . 44 GLY HA2 H 3.90 0.02 2
564 . 44 GLY HA3 H 3.79 0.02 2
565 . 44 GLY C C 178.4 0.05 1
566 . 45 GLY N N 106.2 0.05 1
567 . 45 GLY H H 7.12 0.02 1
568 . 45 GLY CA C 45.0 0.05 1
569 . 45 GLY HA2 H 4.26 0.02 2
570 . 45 GLY HA3 H 3.49 0.02 2
571 . 45 GLY C C 177.6 0.05 1
572 . 46 LYS N N 122.0 0.05 1
573 . 46 LYS H H 7.50 0.02 1
574 . 46 LYS CA C 59.7 0.05 1
575 . 46 LYS HA H 4.04 0.02 1
576 . 46 LYS CB C 33.9 0.05 1
577 . 46 LYS HB2 H 1.83 0.02 2
578 . 46 LYS HB3 H 1.75 0.02 2
579 . 46 LYS CG C 26.2 0.05 1
580 . 46 LYS HG2 H 1.48 0.02 1
581 . 46 LYS HG3 H 1.48 0.02 1
582 . 46 LYS CD C 29.8 0.05 1
583 . 46 LYS HD2 H 1.72 0.02 2
584 . 46 LYS HD3 H 1.78 0.02 2
585 . 46 LYS CE C 42.4 0.05 1
586 . 46 LYS HE2 H 3.06 0.02 1
587 . 46 LYS HE3 H 3.06 0.02 1
588 . 46 LYS C C 179.6 0.05 1
589 . 47 LEU N N 116.2 0.05 1
590 . 47 LEU H H 7.35 0.02 1
591 . 47 LEU CA C 55.4 0.05 1
592 . 47 LEU HA H 4.62 0.02 1
593 . 47 LEU CB C 46.7 0.05 1
594 . 47 LEU HB2 H 1.59 0.02 2
595 . 47 LEU HB3 H 1.67 0.02 2
596 . 47 LEU CG C 28.0 0.05 1
597 . 47 LEU HG H 1.57 0.02 1
598 . 47 LEU HD1 H 0.90 0.02 2
599 . 47 LEU HD2 H 1.08 0.02 2
600 . 47 LEU CD1 C 28.0 0.05 1
601 . 47 LEU CD2 C 23.9 0.05 1
602 . 47 LEU C C 176.9 0.05 1
603 . 48 LYS N N 126.2 0.05 1
604 . 48 LYS H H 8.94 0.02 1
605 . 48 LYS CA C 55.1 0.05 1
606 . 48 LYS HA H 5.72 0.02 1
607 . 48 LYS CB C 35.8 0.05 1
608 . 48 LYS HB2 H 1.49 0.02 2
609 . 48 LYS HB3 H 1.81 0.02 2
610 . 48 LYS CG C 26.4 0.05 1
611 . 48 LYS HG2 H 1.22 0.02 2
612 . 48 LYS HG3 H 1.47 0.02 2
613 . 48 LYS CD C 30.2 0.05 1
614 . 48 LYS HD2 H 1.50 0.02 2
615 . 48 LYS HD3 H 1.59 0.02 2
616 . 48 LYS CE C 42.4 0.05 1
617 . 48 LYS HE2 H 2.82 0.02 2
618 . 48 LYS HE3 H 2.90 0.02 2
619 . 48 LYS C C 178.9 0.05 1
620 . 49 VAL N N 112.6 0.05 1
621 . 49 VAL H H 9.00 0.02 1
622 . 49 VAL CA C 58.0 0.05 1
623 . 49 VAL HA H 5.11 0.02 1
624 . 49 VAL CB C 36.0 0.05 1
625 . 49 VAL HB H 2.07 0.02 1
626 . 49 VAL HG1 H 0.82 0.02 2
627 . 49 VAL HG2 H 0.91 0.02 2
628 . 49 VAL CG1 C 21.3 0.05 1
629 . 49 VAL CG2 C 21.5 0.05 1
630 . 49 VAL C C 176.1 0.05 1
631 . 50 ARG N N 122.1 0.05 1
632 . 50 ARG H H 9.15 0.02 1
633 . 50 ARG CA C 54.3 0.05 1
634 . 50 ARG HA H 4.95 0.02 1
635 . 50 ARG CB C 32.9 0.05 1
636 . 50 ARG HB2 H 1.74 0.02 2
637 . 50 ARG HB3 H 1.83 0.02 2
638 . 50 ARG CG C 27.4 0.05 1
639 . 50 ARG HG2 H 1.48 0.02 2
640 . 50 ARG HG3 H 1.57 0.02 2
641 . 50 ARG CD C 43.1 0.05 1
642 . 50 ARG HD2 H 3.21 0.02 1
643 . 50 ARG HD3 H 3.21 0.02 1
644 . 50 ARG NE N 112.0 0.05 1
645 . 50 ARG HE H 7.32 0.02 1
646 . 50 ARG C C 179.1 0.05 1
647 . 51 VAL N N 125.2 0.05 1
648 . 51 VAL H H 9.01 0.02 1
649 . 51 VAL CA C 63.3 0.05 1
650 . 51 VAL HA H 4.03 0.02 1
651 . 51 VAL CB C 31.6 0.05 1
652 . 51 VAL HB H 2.16 0.02 1
653 . 51 VAL HG1 H 0.65 0.02 2
654 . 51 VAL HG2 H 0.73 0.02 2
655 . 51 VAL CG1 C 21.9 0.05 1
656 . 51 VAL CG2 C 21.5 0.05 1
657 . 51 VAL C C 179.1 0.05 1
658 . 52 LYS N N 131.1 0.05 1
659 . 52 LYS H H 9.53 0.02 1
660 . 52 LYS CA C 57.1 0.05 1
661 . 52 LYS HA H 4.34 0.02 1
662 . 52 LYS CB C 33.5 0.05 1
663 . 52 LYS HB2 H 1.44 0.02 2
664 . 52 LYS HB3 H 1.77 0.02 2
665 . 52 LYS CG C 25.6 0.05 1
666 . 52 LYS HG2 H 1.42 0.02 1
667 . 52 LYS HG3 H 1.42 0.02 1
668 . 52 LYS CD C 29.3 0.05 1
669 . 52 LYS HD2 H 1.64 0.02 1
670 . 52 LYS HD3 H 1.64 0.02 1
671 . 52 LYS CE C 41.8 0.05 1
672 . 52 LYS HE2 H 2.93 0.02 2
673 . 52 LYS HE3 H 2.98 0.02 2
674 . 52 LYS C C 179.1 0.05 1
675 . 53 ALA N N 118.0 0.05 1
676 . 53 ALA H H 7.63 0.02 1
677 . 53 ALA CA C 52.3 0.05 1
678 . 53 ALA HA H 4.42 0.02 1
679 . 53 ALA HB H 1.37 0.02 1
680 . 53 ALA CB C 22.7 0.05 1
681 . 53 ALA C C 177.1 0.05 1
682 . 54 ILE N N 119.9 0.05 1
683 . 54 ILE H H 8.49 0.02 1
684 . 54 ILE CA C 59.5 0.05 1
685 . 54 ILE HA H 4.81 0.02 1
686 . 54 ILE CB C 41.2 0.05 1
687 . 54 ILE HB H 1.61 0.02 1
688 . 54 ILE HG2 H 0.63 0.02 1
689 . 54 ILE CG2 C 17.9 0.05 1
690 . 54 ILE CG1 C 26.8 0.05 1
691 . 54 ILE HG12 H 0.90 0.02 2
692 . 54 ILE HG13 H 1.35 0.02 2
693 . 54 ILE HD1 H 0.67 0.02 1
694 . 54 ILE CD1 C 13.4 0.05 1
695 . 54 ILE C C 178.1 0.05 1
696 . 55 ARG N N 127.8 0.05 1
697 . 55 ARG H H 8.76 0.02 1
698 . 55 ARG CA C 56.0 0.05 1
699 . 55 ARG HA H 4.48 0.02 1
700 . 55 ARG CB C 35.5 0.05 1
701 . 55 ARG HB2 H 1.41 0.02 2
702 . 55 ARG HB3 H 1.68 0.02 2
703 . 55 ARG CG C 30.0 0.05 1
704 . 55 ARG HG2 H 1.30 0.02 2
705 . 55 ARG HG3 H 1.52 0.02 2
706 . 55 ARG CD C 42.6 0.05 1
707 . 55 ARG HD2 H 2.88 0.02 2
708 . 55 ARG HD3 H 3.38 0.02 2
709 . 55 ARG C C 176.1 0.05 1
710 . 56 VAL N N 123.1 0.05 1
711 . 56 VAL H H 7.91 0.02 1
712 . 56 VAL CA C 62.0 0.05 1
713 . 56 VAL HA H 4.22 0.02 1
714 . 56 VAL CB C 33.5 0.05 1
715 . 56 VAL HB H 1.39 0.02 1
716 . 56 VAL HG1 H 0.08 0.02 2
717 . 56 VAL HG2 H 0.38 0.02 2
718 . 56 VAL CG1 C 20.7 0.05 1
719 . 56 VAL CG2 C 21.2 0.05 1
720 . 56 VAL C C 177.8 0.05 1
721 . 57 TYR N N 123.3 0.05 1
722 . 57 TYR H H 8.95 0.02 1
723 . 57 TYR CA C 56.9 0.05 1
724 . 57 TYR HA H 4.72 0.02 1
725 . 57 TYR CB C 44.2 0.05 1
726 . 57 TYR HB2 H 2.15 0.02 2
727 . 57 TYR HB3 H 3.12 0.02 2
728 . 57 TYR HD1 H 6.41 0.02 1
729 . 57 TYR HD2 H 6.41 0.02 1
730 . 57 TYR HE1 H 6.65 0.02 1
731 . 57 TYR HE2 H 6.65 0.02 1
732 . 57 TYR CD1 C 130.4 0.05 1
733 . 57 TYR CE1 C 119.3 0.05 1
734 . 57 TYR CE2 C 119.3 0.05 1
735 . 57 TYR CD2 C 130.4 0.05 1
736 . 57 TYR C C 178.2 0.05 1
737 . 58 ASN N N 117.6 0.05 1
738 . 58 ASN H H 9.30 0.02 1
739 . 58 ASN CA C 55.1 0.05 1
740 . 58 ASN HA H 4.67 0.02 1
741 . 58 ASN CB C 39.7 0.05 1
742 . 58 ASN HB2 H 2.79 0.02 2
743 . 58 ASN HB3 H 2.95 0.02 2
744 . 58 ASN ND2 N 115.0 0.05 1
745 . 58 ASN HD21 H 6.93 0.02 2
746 . 58 ASN HD22 H 7.94 0.02 2
747 . 58 ASN C C 178.3 0.05 1
748 . 59 SER N N 108.7 0.05 1
749 . 59 SER H H 7.20 0.02 1
750 . 59 SER CA C 56.9 0.05 1
751 . 59 SER HA H 4.72 0.02 1
752 . 59 SER CB C 66.5 0.05 1
753 . 59 SER HB2 H 3.85 0.02 2
754 . 59 SER HB3 H 4.27 0.02 2
755 . 59 SER C C 177.2 0.05 1
756 . 60 PHE N N 122.7 0.05 1
757 . 60 PHE H H 9.69 0.02 1
758 . 60 PHE CA C 63.5 0.05 1
759 . 60 PHE HA H 3.89 0.02 1
760 . 60 PHE CB C 38.6 0.05 1
761 . 60 PHE HB2 H 2.67 0.02 2
762 . 60 PHE HB3 H 2.98 0.02 2
763 . 60 PHE HD1 H 6.71 0.02 1
764 . 60 PHE HD2 H 6.71 0.02 1
765 . 60 PHE HE1 H 6.47 0.02 1
766 . 60 PHE HE2 H 6.47 0.02 1
767 . 60 PHE CD1 C 131.9 0.05 1
768 . 60 PHE CE1 C 130.5 0.05 1
769 . 60 PHE CZ C 127.8 0.05 1
770 . 60 PHE HZ H 6.72 0.02 1
771 . 60 PHE CE2 C 131.5 0.05 1
772 . 60 PHE CD2 C 131.9 0.05 1
773 . 60 PHE C C 180.6 0.05 1
774 . 61 ARG N N 120.7 0.05 1
775 . 61 ARG H H 9.04 0.02 1
776 . 61 ARG CA C 61.2 0.05 1
777 . 61 ARG HA H 3.55 0.02 1
778 . 61 ARG CB C 30.4 0.05 1
779 . 61 ARG HB2 H 1.70 0.02 2
780 . 61 ARG HB3 H 1.89 0.02 2
781 . 61 ARG CG C 27.5 0.05 1
782 . 61 ARG HG2 H 1.42 0.02 1
783 . 61 ARG HG3 H 1.42 0.02 1
784 . 61 ARG CD C 43.2 0.05 1
785 . 61 ARG HD2 H 3.08 0.02 2
786 . 61 ARG HD3 H 3.26 0.02 2
787 . 61 ARG NE N 112.0 0.05 1
788 . 61 ARG HE H 7.43 0.02 1
789 . 61 ARG C C 179.6 0.05 1
790 . 62 GLU N N 118.0 0.05 1
791 . 62 GLU H H 7.80 0.02 1
792 . 62 GLU CA C 59.1 0.05 1
793 . 62 GLU HA H 3.87 0.02 1
794 . 62 GLU CB C 31.1 0.05 1
795 . 62 GLU HB2 H 2.09 0.02 2
796 . 62 GLU HB3 H 1.96 0.02 2
797 . 62 GLU CG C 37.3 0.05 1
798 . 62 GLU HG2 H 2.28 0.02 1
799 . 62 GLU HG3 H 2.28 0.02 1
800 . 62 GLU C C 180.6 0.05 1
801 . 63 MET N N 118.2 0.05 1
802 . 63 MET H H 7.38 0.02 1
803 . 63 MET CA C 59.1 0.05 1
804 . 63 MET HA H 1.97 0.02 1
805 . 63 MET CB C 32.0 0.05 1
806 . 63 MET HB2 H 1.39 0.02 2
807 . 63 MET HB3 H 1.99 0.02 2
808 . 63 MET CG C 33.5 0.05 1
809 . 63 MET HG2 H 2.19 0.02 1
810 . 63 MET HG3 H 2.19 0.02 1
811 . 63 MET HE H 1.90 0.02 1
812 . 63 MET CE C 18.0 0.05 1
813 . 63 MET C C 180.2 0.05 1
814 . 64 LEU N N 119.0 0.05 1
815 . 64 LEU H H 8.46 0.02 1
816 . 64 LEU CA C 58.4 0.05 1
817 . 64 LEU HA H 3.65 0.02 1
818 . 64 LEU CB C 43.1 0.05 1
819 . 64 LEU HB2 H 1.12 0.02 2
820 . 64 LEU HB3 H 2.02 0.02 2
821 . 64 LEU CG C 27.1 0.05 1
822 . 64 LEU HG H 2.00 0.02 1
823 . 64 LEU HD1 H 0.94 0.02 2
824 . 64 LEU HD2 H 0.91 0.02 2
825 . 64 LEU CD1 C 23.2 0.05 1
826 . 64 LEU CD2 C 26.1 0.05 1
827 . 64 LEU C C 182.2 0.05 1
828 . 65 GLU N N 117.9 0.05 1
829 . 65 GLU H H 8.12 0.02 1
830 . 65 GLU CA C 59.9 0.05 1
831 . 65 GLU HA H 3.84 0.02 1
832 . 65 GLU CB C 30.0 0.05 1
833 . 65 GLU HB2 H 1.92 0.02 2
834 . 65 GLU HB3 H 2.14 0.02 2
835 . 65 GLU CG C 37.2 0.05 1
836 . 65 GLU HG2 H 2.16 0.02 2
837 . 65 GLU HG3 H 2.53 0.02 2
838 . 65 GLU C C 182.1 0.05 1
839 . 66 LYS N N 117.3 0.05 1
840 . 66 LYS H H 7.82 0.02 1
841 . 66 LYS CA C 58.2 0.05 1
842 . 66 LYS HA H 4.17 0.02 1
843 . 66 LYS CB C 32.9 0.05 1
844 . 66 LYS HB2 H 1.81 0.02 2
845 . 66 LYS HB3 H 1.84 0.02 2
846 . 66 LYS CG C 26.2 0.05 1
847 . 66 LYS HG2 H 1.57 0.02 2
848 . 66 LYS HG3 H 1.62 0.02 2
849 . 66 LYS CD C 29.1 0.05 1
850 . 66 LYS HD2 H 1.75 0.02 1
851 . 66 LYS HD3 H 1.75 0.02 1
852 . 66 LYS CE C 42.8 0.05 1
853 . 66 LYS HE2 H 3.04 0.02 1
854 . 66 LYS HE3 H 3.04 0.02 1
855 . 66 LYS C C 182.0 0.05 1
856 . 67 GLU N N 116.3 0.05 1
857 . 67 GLU H H 8.65 0.02 1
858 . 67 GLU CA C 57.1 0.05 1
859 . 67 GLU HA H 4.04 0.02 1
860 . 67 GLU CB C 29.7 0.05 1
861 . 67 GLU HB2 H 1.62 0.02 2
862 . 67 GLU HB3 H 1.94 0.02 2
863 . 67 GLU CG C 36.5 0.05 1
864 . 67 GLU HG2 H 2.31 0.02 1
865 . 67 GLU HG3 H 2.31 0.02 1
866 . 67 GLU C C 181.1 0.05 1
867 . 68 GLY N N 109.0 0.05 1
868 . 68 GLY H H 7.38 0.02 1
869 . 68 GLY CA C 45.2 0.05 1
870 . 68 GLY HA2 H 4.30 0.02 2
871 . 68 GLY HA3 H 3.60 0.02 2
872 . 68 GLY C C 177.3 0.05 1
873 . 69 LEU N N 130.4 0.05 1
874 . 69 LEU H H 8.63 0.02 1
875 . 69 LEU CA C 59.6 0.05 1
876 . 69 LEU HA H 3.69 0.02 1
877 . 69 LEU CB C 43.4 0.05 1
878 . 69 LEU HB2 H 1.47 0.02 2
879 . 69 LEU HB3 H 1.72 0.02 2
880 . 69 LEU CG C 26.7 0.05 1
881 . 69 LEU HG H 1.61 0.02 1
882 . 69 LEU HD1 H 0.66 0.02 2
883 . 69 LEU HD2 H 0.81 0.02 2
884 . 69 LEU CD1 C 25.9 0.05 1
885 . 69 LEU CD2 C 25.1 0.05 1
886 . 69 LEU C C 181.2 0.05 1
887 . 70 GLU N N 116.2 0.05 1
888 . 70 GLU H H 9.07 0.02 1
889 . 70 GLU CA C 58.8 0.05 1
890 . 70 GLU HA H 3.94 0.02 1
891 . 70 GLU CB C 29.2 0.05 1
892 . 70 GLU HB2 H 1.99 0.02 1
893 . 70 GLU HB3 H 1.99 0.02 1
894 . 70 GLU CG C 35.9 0.05 1
895 . 70 GLU HG2 H 2.27 0.02 2
896 . 70 GLU HG3 H 2.33 0.02 2
897 . 70 GLU C C 178.8 0.05 1
898 . 71 ASN N N 112.5 0.05 1
899 . 71 ASN H H 7.46 0.02 1
900 . 71 ASN CA C 54.7 0.05 1
901 . 71 ASN HA H 4.87 0.02 1
902 . 71 ASN CB C 40.0 0.05 1
903 . 71 ASN HB2 H 2.66 0.02 2
904 . 71 ASN HB3 H 2.76 0.02 2
905 . 71 ASN ND2 N 116.3 0.05 1
906 . 71 ASN HD21 H 7.36 0.02 2
907 . 71 ASN HD22 H 8.25 0.02 2
908 . 71 ASN C C 178.4 0.05 1
909 . 72 VAL N N 118.7 0.05 1
910 . 72 VAL H H 7.44 0.02 1
911 . 72 VAL CA C 63.5 0.05 1
912 . 72 VAL HA H 4.29 0.02 1
913 . 72 VAL CB C 34.7 0.05 1
914 . 72 VAL HB H 1.78 0.02 1
915 . 72 VAL HG1 H 0.79 0.02 2
916 . 72 VAL HG2 H 0.95 0.02 2
917 . 72 VAL CG1 C 20.8 0.05 1
918 . 72 VAL CG2 C 23.6 0.05 1
919 . 72 VAL C C 178.8 0.05 1
920 . 73 LEU N N 120.9 0.05 1
921 . 73 LEU H H 8.70 0.02 1
922 . 73 LEU CA C 51.1 0.05 1
923 . 73 LEU HA H 4.71 0.02 1
924 . 73 LEU CB C 43.5 0.05 1
925 . 73 LEU HB2 H 1.36 0.02 2
926 . 73 LEU HB3 H 1.70 0.02 2
927 . 73 LEU CG C 26.2 0.05 1
928 . 73 LEU HG H 1.37 0.02 1
929 . 73 LEU HD1 H 0.69 0.02 2
930 . 73 LEU HD2 H 0.83 0.02 2
931 . 73 LEU CD1 C 23.7 0.05 1
932 . 73 LEU CD2 C 28.5 0.05 1
933 . 74 PRO CD C 48.9 0.05 1
934 . 74 PRO CA C 64.7 0.05 1
935 . 74 PRO HA H 4.25 0.02 1
936 . 74 PRO CB C 31.4 0.05 1
937 . 74 PRO HB2 H 1.85 0.02 2
938 . 74 PRO HB3 H 2.43 0.02 2
939 . 74 PRO CG C 27.5 0.05 1
940 . 74 PRO HG2 H 1.74 0.02 2
941 . 74 PRO HG3 H 2.17 0.02 2
942 . 74 PRO HD2 H 3.20 0.02 2
943 . 74 PRO HD3 H 3.40 0.02 2
944 . 74 PRO C C 180.8 0.05 1
945 . 75 GLY N N 113.4 0.05 1
946 . 75 GLY H H 9.08 0.02 1
947 . 75 GLY CA C 45.3 0.05 1
948 . 75 GLY HA2 H 4.23 0.02 2
949 . 75 GLY HA3 H 3.59 0.02 2
950 . 75 GLY C C 177.5 0.05 1
951 . 76 VAL N N 123.4 0.05 1
952 . 76 VAL H H 7.83 0.02 1
953 . 76 VAL CA C 63.5 0.05 1
954 . 76 VAL HA H 4.01 0.02 1
955 . 76 VAL CB C 31.2 0.05 1
956 . 76 VAL HB H 2.25 0.02 1
957 . 76 VAL HG1 H 0.90 0.02 2
958 . 76 VAL HG2 H 0.94 0.02 2
959 . 76 VAL CG1 C 24.1 0.05 1
960 . 76 VAL CG2 C 23.0 0.05 1
961 . 76 VAL C C 180.0 0.05 1
962 . 77 LYS N N 123.4 0.05 1
963 . 77 LYS H H 8.57 0.02 1
964 . 77 LYS CA C 58.1 0.05 1
965 . 77 LYS HA H 4.21 0.02 1
966 . 77 LYS CB C 33.8 0.05 1
967 . 77 LYS HB2 H 1.88 0.02 2
968 . 77 LYS HB3 H 1.92 0.02 2
969 . 77 LYS CG C 25.2 0.05 1
970 . 77 LYS HG2 H 1.43 0.02 2
971 . 77 LYS HG3 H 1.53 0.02 2
972 . 77 LYS CD C 28.9 0.05 1
973 . 77 LYS HD2 H 1.65 0.02 1
974 . 77 LYS HD3 H 1.65 0.02 1
975 . 77 LYS CE C 42.4 0.05 1
976 . 77 LYS HE2 H 2.99 0.02 1
977 . 77 LYS HE3 H 2.99 0.02 1
978 . 77 LYS C C 179.7 0.05 1
979 . 78 SER N N 111.6 0.05 1
980 . 78 SER H H 7.28 0.02 1
981 . 78 SER CA C 56.8 0.05 1
982 . 78 SER HA H 4.81 0.02 1
983 . 78 SER CB C 67.0 0.05 1
984 . 78 SER HB2 H 3.92 0.02 2
985 . 78 SER HB3 H 4.24 0.02 2
986 . 78 SER C C 177.3 0.05 1
987 . 79 ILE N N 124.6 0.05 1
988 . 79 ILE H H 9.11 0.02 1
989 . 79 ILE CA C 64.6 0.05 1
990 . 79 ILE HA H 3.68 0.02 1
991 . 79 ILE CB C 37.1 0.05 1
992 . 79 ILE HB H 2.01 0.02 1
993 . 79 ILE HG2 H 0.96 0.02 1
994 . 79 ILE CG2 C 17.6 0.05 1
995 . 79 ILE CG1 C 29.5 0.05 1
996 . 79 ILE HG12 H 1.72 0.02 2
997 . 79 ILE HG13 H 1.36 0.02 2
998 . 79 ILE HD1 H 0.87 0.02 1
999 . 79 ILE CD1 C 12.6 0.05 1
1000 . 79 ILE C C 180.3 0.05 1
1001 . 80 GLU N N 119.9 0.05 1
1002 . 80 GLU H H 8.68 0.02 1
1003 . 80 GLU CA C 61.0 0.05 1
1004 . 80 GLU HA H 3.94 0.02 1
1005 . 80 GLU CB C 29.0 0.05 1
1006 . 80 GLU HB2 H 1.95 0.02 2
1007 . 80 GLU HB3 H 2.06 0.02 2
1008 . 80 GLU CG C 37.1 0.05 1
1009 . 80 GLU HG2 H 2.27 0.02 2
1010 . 80 GLU HG3 H 2.46 0.02 2
1011 . 80 GLU C C 182.5 0.05 1
1012 . 81 GLU N N 120.2 0.05 1
1013 . 81 GLU H H 7.77 0.02 1
1014 . 81 GLU CA C 59.4 0.05 1
1015 . 81 GLU HA H 3.99 0.02 1
1016 . 81 GLU CB C 30.4 0.05 1
1017 . 81 GLU HB2 H 2.02 0.02 2
1018 . 81 GLU HB3 H 2.09 0.02 2
1019 . 81 GLU CG C 37.2 0.05 1
1020 . 81 GLU HG2 H 2.18 0.02 2
1021 . 81 GLU HG3 H 2.31 0.02 2
1022 . 81 GLU C C 182.1 0.05 1
1023 . 82 GLY N N 109.6 0.05 1
1024 . 82 GLY H H 8.25 0.02 1
1025 . 82 GLY CA C 48.4 0.05 1
1026 . 82 GLY HA2 H 3.67 0.02 2
1027 . 82 GLY HA3 H 3.38 0.02 2
1028 . 82 GLY C C 177.5 0.05 1
1029 . 83 ILE N N 122.1 0.05 1
1030 . 83 ILE H H 8.66 0.02 1
1031 . 83 ILE CA C 66.1 0.05 1
1032 . 83 ILE HA H 3.56 0.02 1
1033 . 83 ILE CB C 38.4 0.05 1
1034 . 83 ILE HB H 1.98 0.02 1
1035 . 83 ILE HG2 H 0.99 0.02 1
1036 . 83 ILE CG2 C 17.6 0.05 1
1037 . 83 ILE CG1 C 28.9 0.05 1
1038 . 83 ILE HG12 H 0.99 0.02 2
1039 . 83 ILE HG13 H 1.81 0.02 2
1040 . 83 ILE HD1 H 0.87 0.02 1
1041 . 83 ILE CD1 C 14.7 0.05 1
1042 . 83 ILE C C 180.9 0.05 1
1043 . 84 GLN N N 117.3 0.05 1
1044 . 84 GLN H H 7.43 0.02 1
1045 . 84 GLN CA C 58.9 0.05 1
1046 . 84 GLN HA H 3.88 0.02 1
1047 . 84 GLN CB C 28.1 0.05 1
1048 . 84 GLN HB2 H 2.13 0.02 2
1049 . 84 GLN HB3 H 2.19 0.02 2
1050 . 84 GLN CG C 34.0 0.05 1
1051 . 84 GLN HG2 H 2.47 0.02 2
1052 . 84 GLN HG3 H 2.49 0.02 2
1053 . 84 GLN NE2 N 112.8 0.05 1
1054 . 84 GLN HE21 H 6.86 0.02 2
1055 . 84 GLN HE22 H 7.49 0.02 2
1056 . 84 GLN C C 181.6 0.05 1
1057 . 85 VAL N N 120.7 0.05 1
1058 . 85 VAL H H 7.57 0.02 1
1059 . 85 VAL CA C 67.1 0.05 1
1060 . 85 VAL HA H 3.41 0.02 1
1061 . 85 VAL CB C 31.0 0.05 1
1062 . 85 VAL HB H 2.17 0.02 1
1063 . 85 VAL HG1 H 0.58 0.02 2
1064 . 85 VAL HG2 H 1.02 0.02 2
1065 . 85 VAL CG1 C 20.8 0.05 1
1066 . 85 VAL CG2 C 22.8 0.05 1
1067 . 85 VAL C C 181.1 0.05 1
1068 . 86 TYR N N 116.8 0.05 1
1069 . 86 TYR H H 7.05 0.02 1
1070 . 86 TYR CA C 63.6 0.05 1
1071 . 86 TYR HA H 4.10 0.02 1
1072 . 86 TYR CB C 37.9 0.05 1
1073 . 86 TYR HB2 H 1.98 0.02 2
1074 . 86 TYR HB3 H 2.19 0.02 2
1075 . 86 TYR HD1 H 6.76 0.02 1
1076 . 86 TYR HD2 H 6.76 0.02 1
1077 . 86 TYR HE1 H 6.66 0.02 1
1078 . 86 TYR HE2 H 6.66 0.02 1
1079 . 86 TYR CD1 C 131.9 0.05 1
1080 . 86 TYR CE1 C 118.4 0.05 1
1081 . 86 TYR CE2 C 118.4 0.05 1
1082 . 86 TYR CD2 C 131.9 0.05 1
1083 . 86 TYR C C 182.0 0.05 1
1084 . 87 ARG N N 120.9 0.05 1
1085 . 87 ARG H H 8.66 0.02 1
1086 . 87 ARG CA C 56.6 0.05 1
1087 . 87 ARG HA H 4.54 0.02 1
1088 . 87 ARG CB C 29.8 0.05 1
1089 . 87 ARG HB2 H 1.99 0.02 2
1090 . 87 ARG HB3 H 1.85 0.02 2
1091 . 87 ARG CG C 27.4 0.05 1
1092 . 87 ARG HG2 H 1.78 0.02 1
1093 . 87 ARG HG3 H 1.78 0.02 1
1094 . 87 ARG CD C 42.7 0.05 1
1095 . 87 ARG HD2 H 3.38 0.02 2
1096 . 87 ARG HD3 H 3.63 0.02 2
1097 . 87 ARG NE N 113.7 0.05 1
1098 . 87 ARG HE H 7.53 0.02 1
1099 . 87 ARG C C 180.1 0.05 1
1100 . 88 ARG N N 117.4 0.05 1
1101 . 88 ARG H H 7.17 0.02 1
1102 . 88 ARG CA C 58.7 0.05 1
1103 . 88 ARG HA H 3.84 0.02 1
1104 . 88 ARG CB C 30.1 0.05 1
1105 . 88 ARG HB2 H 1.29 0.02 2
1106 . 88 ARG HB3 H 1.25 0.02 2
1107 . 88 ARG CG C 27.5 0.05 1
1108 . 88 ARG HG2 H 1.29 0.02 2
1109 . 88 ARG HG3 H 1.62 0.02 2
1110 . 88 ARG CD C 44.0 0.05 1
1111 . 88 ARG HD2 H 2.98 0.02 1
1112 . 88 ARG HD3 H 2.98 0.02 1
1113 . 88 ARG NE N 113.7 0.05 1
1114 . 88 ARG HE H 7.02 0.02 1
1115 . 88 ARG C C 180.1 0.05 1
1116 . 89 PHE N N 115.1 0.05 1
1117 . 89 PHE H H 7.17 0.02 1
1118 . 89 PHE CA C 57.6 0.05 1
1119 . 89 PHE HA H 4.47 0.02 1
1120 . 89 PHE CB C 40.4 0.05 1
1121 . 89 PHE HB2 H 2.03 0.02 2
1122 . 89 PHE HB3 H 2.37 0.02 2
1123 . 89 PHE HD1 H 7.06 0.02 1
1124 . 89 PHE HD2 H 7.06 0.02 1
1125 . 89 PHE HE1 H 7.17 0.02 1
1126 . 89 PHE HE2 H 7.17 0.02 1
1127 . 89 PHE CD1 C 131.7 0.05 1
1128 . 89 PHE CE1 C 131.6 0.05 1
1129 . 89 PHE CZ C 127.4 0.05 1
1130 . 89 PHE HZ H 6.86 0.02 1
1131 . 89 PHE CE2 C 131.6 0.05 1
1132 . 89 PHE CD2 C 131.7 0.05 1
1133 . 89 PHE C C 179.0 0.05 1
1134 . 90 TYR N N 118.9 0.05 1
1135 . 90 TYR H H 8.38 0.02 1
1136 . 90 TYR CA C 55.7 0.05 1
1137 . 90 TYR HA H 5.24 0.02 1
1138 . 90 TYR CB C 41.5 0.05 1
1139 . 90 TYR HB2 H 3.00 0.02 2
1140 . 90 TYR HB3 H 3.13 0.02 2
1141 . 90 TYR HD1 H 7.34 0.02 1
1142 . 90 TYR HD2 H 7.34 0.02 1
1143 . 90 TYR HE1 H 7.05 0.02 1
1144 . 90 TYR HE2 H 7.05 0.02 1
1145 . 90 TYR CD1 C 135.5 0.05 1
1146 . 90 TYR CE1 C 117.8 0.05 1
1147 . 90 TYR CE2 C 117.8 0.05 1
1148 . 90 TYR CD2 C 135.5 0.05 1
1149 . 90 TYR C C 177.2 0.05 1
1150 . 91 ASP N N 123.9 0.05 1
1151 . 91 ASP H H 8.49 0.02 1
1152 . 91 ASP CA C 54.1 0.05 1
1153 . 91 ASP HA H 4.78 0.02 1
1154 . 91 ASP CB C 42.4 0.05 1
1155 . 91 ASP HB2 H 2.85 0.02 2
1156 . 91 ASP HB3 H 3.11 0.02 2
1157 . 91 ASP C C 178.9 0.05 1
1158 . 92 GLU N N 121.5 0.05 1
1159 . 92 GLU H H 9.13 0.02 1
1160 . 92 GLU CA C 60.0 0.05 1
1161 . 92 GLU HA H 4.18 0.02 1
1162 . 92 GLU CB C 30.5 0.05 1
1163 . 92 GLU HB2 H 2.07 0.02 1
1164 . 92 GLU HB3 H 2.07 0.02 1
1165 . 92 GLU CG C 37.2 0.05 1
1166 . 92 GLU HG2 H 2.35 0.02 2
1167 . 92 GLU HG3 H 2.38 0.02 2
1168 . 92 GLU C C 181.5 0.05 1
1169 . 93 GLU N N 119.9 0.05 1
1170 . 93 GLU H H 8.54 0.02 1
1171 . 93 GLU CA C 60.1 0.05 1
1172 . 93 GLU HA H 4.05 0.02 1
1173 . 93 GLU CB C 29.2 0.05 1
1174 . 93 GLU HB2 H 2.18 0.02 2
1175 . 93 GLU HB3 H 2.11 0.02 2
1176 . 93 GLU CG C 36.6 0.05 1
1177 . 93 GLU HG2 H 2.29 0.02 2
1178 . 93 GLU HG3 H 2.38 0.02 2
1179 . 93 GLU C C 182.9 0.05 1
1180 . 94 LYS N N 121.3 0.05 1
1181 . 94 LYS H H 8.26 0.02 1
1182 . 94 LYS CA C 60.1 0.05 1
1183 . 94 LYS HA H 4.08 0.02 1
1184 . 94 LYS CB C 33.5 0.05 1
1185 . 94 LYS HB2 H 2.08 0.02 2
1186 . 94 LYS HB3 H 2.17 0.02 2
1187 . 94 LYS CG C 27.1 0.05 1
1188 . 94 LYS HG2 H 1.69 0.02 2
1189 . 94 LYS HG3 H 2.04 0.02 2
1190 . 94 LYS CD C 30.0 0.05 1
1191 . 94 LYS HD2 H 1.94 0.02 1
1192 . 94 LYS HD3 H 1.94 0.02 1
1193 . 94 LYS CE C 42.7 0.05 1
1194 . 94 LYS HE2 H 3.22 0.02 1
1195 . 94 LYS HE3 H 3.22 0.02 1
1196 . 94 LYS C C 181.1 0.05 1
1197 . 95 GLU N N 121.8 0.05 1
1198 . 95 GLU H H 7.95 0.02 1
1199 . 95 GLU CA C 60.0 0.05 1
1200 . 95 GLU HA H 3.59 0.02 1
1201 . 95 GLU CB C 31.0 0.05 1
1202 . 95 GLU HB2 H 1.84 0.02 2
1203 . 95 GLU HB3 H 2.44 0.02 2
1204 . 95 GLU CG C 35.8 0.05 1
1205 . 95 GLU HG2 H 1.63 0.02 2
1206 . 95 GLU HG3 H 1.96 0.02 2
1207 . 95 GLU C C 181.2 0.05 1
1208 . 96 LYS N N 117.7 0.05 1
1209 . 96 LYS H H 8.06 0.02 1
1210 . 96 LYS CA C 59.1 0.05 1
1211 . 96 LYS HA H 4.07 0.02 1
1212 . 96 LYS CB C 32.9 0.05 1
1213 . 96 LYS HB2 H 1.85 0.02 1
1214 . 96 LYS HB3 H 1.85 0.02 1
1215 . 96 LYS CG C 25.8 0.05 1
1216 . 96 LYS HG2 H 1.44 0.02 2
1217 . 96 LYS HG3 H 1.60 0.02 2
1218 . 96 LYS CD C 29.6 0.05 1
1219 . 96 LYS HD2 H 1.67 0.02 1
1220 . 96 LYS HD3 H 1.67 0.02 1
1221 . 96 LYS CE C 42.4 0.05 1
1222 . 96 LYS HE2 H 2.93 0.02 1
1223 . 96 LYS HE3 H 2.93 0.02 1
1224 . 96 LYS C C 181.4 0.05 1
1225 . 97 LYS N N 118.8 0.05 1
1226 . 97 LYS H H 7.62 0.02 1
1227 . 97 LYS CA C 59.2 0.05 1
1228 . 97 LYS HA H 3.87 0.02 1
1229 . 97 LYS CB C 33.5 0.05 1
1230 . 97 LYS HB2 H 1.45 0.02 2
1231 . 97 LYS HB3 H 1.70 0.02 2
1232 . 97 LYS CG C 24.8 0.05 1
1233 . 97 LYS HG2 H 0.34 0.02 2
1234 . 97 LYS HG3 H 0.97 0.02 2
1235 . 97 LYS CD C 29.8 0.05 1
1236 . 97 LYS HD2 H 1.22 0.02 2
1237 . 97 LYS HD3 H 1.41 0.02 2
1238 . 97 LYS CE C 42.4 0.05 1
1239 . 97 LYS HE2 H 2.70 0.02 2
1240 . 97 LYS HE3 H 2.73 0.02 2
1241 . 97 LYS C C 181.1 0.05 1
1242 . 98 TYR N N 114.6 0.05 1
1243 . 98 TYR H H 8.13 0.02 1
1244 . 98 TYR CA C 60.5 0.05 1
1245 . 98 TYR HA H 4.44 0.02 1
1246 . 98 TYR CB C 40.4 0.05 1
1247 . 98 TYR HB2 H 2.76 0.02 2
1248 . 98 TYR HB3 H 2.97 0.02 2
1249 . 98 TYR HD1 H 7.24 0.02 1
1250 . 98 TYR HD2 H 7.24 0.02 1
1251 . 98 TYR HE1 H 6.87 0.02 1
1252 . 98 TYR HE2 H 6.87 0.02 1
1253 . 98 TYR CD1 C 133.2 0.05 1
1254 . 98 TYR CE1 C 118.3 0.05 1
1255 . 98 TYR C C 180.7 0.05 1
1256 . 99 GLY N N 106.9 0.05 1
1257 . 99 GLY H H 7.91 0.02 1
1258 . 99 GLY CA C 44.5 0.05 1
1259 . 99 GLY HA2 H 4.34 0.02 2
1260 . 99 GLY HA3 H 3.65 0.02 2
1261 . 99 GLY C C 175.7 0.05 1
1262 . 100 VAL N N 113.9 0.05 1
1263 . 100 VAL H H 8.18 0.02 1
1264 . 100 VAL CA C 60.6 0.05 1
1265 . 100 VAL HA H 4.35 0.02 1
1266 . 100 VAL CB C 36.0 0.05 1
1267 . 100 VAL HB H 1.11 0.02 1
1268 . 100 VAL HG1 H -0.26 0.02 2
1269 . 100 VAL HG2 H -0.19 0.02 2
1270 . 100 VAL CG1 C 20.5 0.05 1
1271 . 100 VAL CG2 C 21.4 0.05 1
1272 . 100 VAL C C 175.6 0.05 1
1273 . 101 VAL N N 122.5 0.05 1
1274 . 101 VAL H H 8.89 0.02 1
1275 . 101 VAL CA C 58.0 0.05 1
1276 . 101 VAL HA H 4.90 0.02 1
1277 . 101 VAL CB C 36.1 0.05 1
1278 . 101 VAL HB H 1.48 0.02 1
1279 . 101 VAL HG1 H 0.65 0.02 2
1280 . 101 VAL HG2 H 0.64 0.02 2
1281 . 101 VAL CG1 C 19.8 0.05 1
1282 . 101 VAL CG2 C 23.5 0.05 1
1283 . 101 VAL C C 174.5 0.05 1
1284 . 102 ALA N N 129.8 0.05 1
1285 . 102 ALA H H 9.41 0.02 1
1286 . 102 ALA CA C 50.7 0.05 1
1287 . 102 ALA HA H 4.46 0.02 1
1288 . 102 ALA HB H 1.34 0.02 1
1289 . 102 ALA CB C 21.4 0.05 1
1290 . 102 ALA C C 177.5 0.05 1
1291 . 103 ILE N N 123.4 0.05 1
1292 . 103 ILE H H 8.80 0.02 1
1293 . 103 ILE CA C 60.4 0.05 1
1294 . 103 ILE HA H 4.46 0.02 1
1295 . 103 ILE CB C 39.0 0.05 1
1296 . 103 ILE HB H 1.98 0.02 1
1297 . 103 ILE HG2 H 0.76 0.02 1
1298 . 103 ILE CG2 C 20.0 0.05 1
1299 . 103 ILE CG1 C 28.0 0.05 1
1300 . 103 ILE HG12 H 1.78 0.02 2
1301 . 103 ILE HG13 H 0.65 0.02 2
1302 . 103 ILE HD1 H 0.58 0.02 1
1303 . 103 ILE CD1 C 13.7 0.05 1
1304 . 103 ILE C C 178.4 0.05 1
1305 . 104 GLU N N 132.1 0.05 1
1306 . 104 GLU H H 8.93 0.02 1
1307 . 104 GLU CA C 56.8 0.05 1
1308 . 104 GLU HA H 4.91 0.02 1
1309 . 104 GLU CB C 30.7 0.05 1
1310 . 104 GLU HB2 H 1.77 0.02 2
1311 . 104 GLU HB3 H 2.02 0.02 2
1312 . 104 GLU CG C 36.8 0.05 1
1313 . 104 GLU HG2 H 2.05 0.02 2
1314 . 104 GLU HG3 H 2.37 0.02 2
1315 . 104 GLU C C 179.6 0.05 1
1316 . 105 ILE N N 121.8 0.05 1
1317 . 105 ILE H H 8.44 0.02 1
1318 . 105 ILE CA C 59.6 0.05 1
1319 . 105 ILE HA H 5.65 0.02 1
1320 . 105 ILE CB C 43.0 0.05 1
1321 . 105 ILE HB H 1.69 0.02 1
1322 . 105 ILE HG2 H 0.86 0.02 1
1323 . 105 ILE CG2 C 19.8 0.05 1
1324 . 105 ILE CG1 C 24.8 0.05 1
1325 . 105 ILE HG12 H 1.43 0.02 2
1326 . 105 ILE HG13 H 1.17 0.02 2
1327 . 105 ILE HD1 H 0.85 0.02 1
1328 . 105 ILE CD1 C 14.7 0.05 1
1329 . 105 ILE C C 177.8 0.05 1
1330 . 106 GLU N N 118.6 0.05 1
1331 . 106 GLU H H 8.27 0.02 1
1332 . 106 GLU CA C 53.4 0.05 1
1333 . 106 GLU HA H 5.11 0.02 1
1334 . 106 GLU CB C 33.6 0.05 1
1335 . 106 GLU HB2 H 2.03 0.02 1
1336 . 106 GLU HB3 H 2.03 0.02 1
1337 . 106 GLU CG C 36.0 0.05 1
1338 . 106 GLU HG2 H 2.29 0.02 1
1339 . 106 GLU HG3 H 2.29 0.02 1
1340 . 107 PRO CD C 51.2 0.05 1
1341 . 107 PRO CA C 64.0 0.05 1
1342 . 107 PRO HA H 4.62 0.02 1
1343 . 107 PRO CB C 32.7 0.05 1
1344 . 107 PRO HB2 H 2.11 0.02 2
1345 . 107 PRO HB3 H 2.31 0.02 2
1346 . 107 PRO CG C 28.4 0.05 1
1347 . 107 PRO HG2 H 1.96 0.02 2
1348 . 107 PRO HG3 H 2.29 0.02 2
1349 . 107 PRO HD2 H 3.72 0.02 2
1350 . 107 PRO HD3 H 3.88 0.02 2
1351 . 107 PRO C C 178.6 0.05 1
1352 . 108 LEU N N 124.3 0.05 1
1353 . 108 LEU H H 8.45 0.02 1
1354 . 108 LEU CA C 55.9 0.05 1
1355 . 108 LEU HA H 4.32 0.02 1
1356 . 108 LEU CB C 42.9 0.05 1
1357 . 108 LEU HB2 H 1.48 0.02 1
1358 . 108 LEU HB3 H 1.48 0.02 1
1359 . 108 LEU CG C 27.5 0.05 1
1360 . 108 LEU HG H 1.51 0.02 1
1361 . 108 LEU HD1 H 0.83 0.02 2
1362 . 108 LEU HD2 H 0.85 0.02 2
1363 . 108 LEU CD1 C 26.0 0.05 1
1364 . 108 LEU CD2 C 24.3 0.05 1
1365 . 108 LEU C C 180.2 0.05 1
1366 . 109 GLU N N 121.5 0.05 1
1367 . 109 GLU H H 8.53 0.02 1
1368 . 109 GLU CA C 56.8 0.05 1
1369 . 109 GLU HA H 4.33 0.02 1
1370 . 109 GLU CB C 31.0 0.05 1
1371 . 109 GLU HB2 H 1.92 0.02 2
1372 . 109 GLU HB3 H 2.00 0.02 2
1373 . 109 GLU CG C 36.4 0.05 1
1374 . 109 GLU HG2 H 2.21 0.02 1
1375 . 109 GLU HG3 H 2.21 0.02 1
1376 . 109 GLU C C 178.9 0.05 1
1377 . 110 TYR N N 122.0 0.05 1
1378 . 110 TYR H H 8.17 0.02 1
1379 . 110 TYR CA C 58.4 0.05 1
1380 . 110 TYR HA H 4.59 0.02 1
1381 . 110 TYR CB C 39.2 0.05 1
1382 . 110 TYR HB2 H 3.00 0.02 2
1383 . 110 TYR HB3 H 3.03 0.02 2
1384 . 110 TYR HD1 H 7.08 0.02 1
1385 . 110 TYR HD2 H 7.08 0.02 1
1386 . 110 TYR HE1 H 6.80 0.02 1
1387 . 110 TYR HE2 H 6.80 0.02 1
1388 . 110 TYR CD1 C 133.4 0.05 1
1389 . 110 TYR CE1 C 118.3 0.05 1
1390 . 110 TYR CE2 C 118.3 0.05 1
1391 . 110 TYR CD2 C 133.4 0.05 1
1392 . 110 TYR C C 178.5 0.05 1
stop_
save_
########################
# Coupling constants #
########################
save_J_values_set_1
_Saveframe_category coupling_constants
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Ex-cond_1
_Spectrometer_frequency_1H 750
_Mol_system_component_name 'pfr13 monomer'
_Text_data_format .
_Text_data .
loop_
_Coupling_constant_ID
_Coupling_constant_code
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_name
_Coupling_constant_value
_Coupling_constant_min_value
_Coupling_constant_max_value
_Coupling_constant_value_error
1 3JHNHA 2 GLU H 2 GLU HA 8.7 . . 2.0
2 3JHNHA 3 TRP H 3 TRP HA 8.0 . . 2.0
3 3JHNHA 4 GLU H 4 GLU HA 8.7 . . 3.0
4 3JHNHA 5 MET H 5 MET HA 7.0 . . 2.0
5 3JHNHA 7 LEU H 7 LEU HA 3.7 . . 2.0
6 3JHNHA 8 GLN H 8 GLN HA 3.1 . . 2.5
7 3JHNHA 9 GLU H 9 GLU HA 1.8 . . 4.0
8 3JHNHA 10 GLU H 10 GLU HA 1.6 . . 4.0
9 3JHNHA 11 PHE H 11 PHE HA 4.4 . . 2.0
10 3JHNHA 12 LEU H 12 LEU HA 4.8 . . 2.0
11 3JHNHA 13 GLU H 13 GLU HA 3.3 . . 2.5
12 3JHNHA 14 LEU H 14 LEU HA 2.9 . . 3.0
13 3JHNHA 15 ILE H 15 ILE HA 5.1 . . 2.0
14 3JHNHA 16 LYS H 16 LYS HA 1.2 . . 4.0
15 3JHNHA 17 LEU H 17 LEU HA 5.8 . . 2.0
16 3JHNHA 18 ARG H 18 ARG HA 5.5 . . 1.5
17 3JHNHA 19 LYS H 19 LYS HA 8.2 . . 1.5
18 3JHNHA 20 LYS H 20 LYS HA 6.6 . . 2.0
19 3JHNHA 21 LYS H 21 LYS HA 6.5 . . 2.0
20 3JHNHA 22 ILE H 22 ILE HA 7.9 . . 2.0
21 3JHNHA 23 GLU H 23 GLU HA 5.9 . . 2.0
22 3JHNHA 25 ARG H 25 ARG HA 3.9 . . 3.0
23 3JHNHA 26 LEU H 26 LEU HA 5.2 . . 3.0
24 3JHNHA 27 TYR H 27 TYR HA 1.6 . . 4.0
25 3JHNHA 28 ASP H 28 ASP HA 7.5 . . 2.0
26 3JHNHA 30 LYS H 30 LYS HA 4.0 . . 1.5
27 3JHNHA 31 ARG H 31 ARG HA 2.0 . . 4.0
28 3JHNHA 32 ARG H 32 ARG HA 1.1 . . 4.0
29 3JHNHA 33 GLN H 33 GLN HA 5.1 . . 1.5
30 3JHNHA 34 ILE H 34 ILE HA 1.8 . . 4.0
31 3JHNHA 35 LYS H 35 LYS HA 7.7 . . 1.5
32 3JHNHA 38 ASP H 38 ASP HA 4.1 . . 1.5
33 3JHNHA 39 VAL H 39 VAL HA 8.0 . . 3.0
34 3JHNHA 40 ILE H 40 ILE HA 8.3 . . 1.5
35 3JHNHA 41 SER H 41 SER HA 8.4 . . 2.0
36 3JHNHA 42 PHE H 42 PHE HA 7.3 . . 2.0
37 3JHNHA 43 GLU H 43 GLU HA 5.6 . . 2.0
38 3JHNHA 46 LYS H 46 LYS HA 4.6 . . 1.5
39 3JHNHA 47 LEU H 47 LEU HA 6.0 . . 1.5
40 3JHNHA 48 LYS H 48 LYS HA 8.2 . . 2.0
41 3JHNHA 49 VAL H 49 VAL HA 8.8 . . 2.0
42 3JHNHA 50 ARG H 50 ARG HA 8.6 . . 3.0
43 3JHNHA 51 VAL H 51 VAL HA 6.3 . . 1.5
44 3JHNHA 52 LYS H 52 LYS HA 8.0 . . 2.0
45 3JHNHA 53 ALA H 53 ALA HA 6.1 . . 1.5
46 3JHNHA 54 ILE H 54 ILE HA 6.3 . . 1.5
47 3JHNHA 55 ARG H 55 ARG HA 8.8 . . 2.0
48 3JHNHA 56 VAL H 56 VAL HA 6.4 . . 2.0
49 3JHNHA 57 TYR H 57 TYR HA 8.7 . . 3.0
50 3JHNHA 58 ASN H 58 ASN HA 4.9 . . 1.5
51 3JHNHA 59 SER H 59 SER HA 5.6 . . 1.5
52 3JHNHA 60 PHE H 60 PHE HA 1.6 . . 4.0
53 3JHNHA 61 ARG H 61 ARG HA 1.7 . . 4.0
54 3JHNHA 62 GLU H 62 GLU HA 1.5 . . 4.0
55 3JHNHA 63 MET H 63 MET HA 1.5 . . 4.0
56 3JHNHA 64 LEU H 64 LEU HA 2.8 . . 3.0
57 3JHNHA 65 GLU H 65 GLU HA 2.4 . . 3.0
58 3JHNHA 66 LYS H 66 LYS HA 6.4 . . 1.5
59 3JHNHA 67 GLU H 67 GLU HA 5.3 . . 1.5
60 3JHNHA 69 LEU H 69 LEU HA 1.2 . . 4.0
61 3JHNHA 70 GLU H 70 GLU HA 3.7 . . 1.5
62 3JHNHA 71 ASN H 71 ASN HA 6.8 . . 1.5
63 3JHNHA 72 VAL H 72 VAL HA 8.9 . . 2.0
64 3JHNHA 73 LEU H 73 LEU HA 8.5 . . 2.0
65 3JHNHA 76 VAL H 76 VAL HA 7.0 . . 1.5
66 3JHNHA 77 LYS H 77 LYS HA 5.8 . . 1.5
67 3JHNHA 78 SER H 78 SER HA 6.8 . . 1.5
68 3JHNHA 79 ILE H 79 ILE HA 3.3 . . 2.5
69 3JHNHA 80 GLU H 80 GLU HA 3.6 . . 1.5
70 3JHNHA 81 GLU H 81 GLU HA 4.8 . . 1.5
71 3JHNHA 83 ILE H 83 ILE HA 3.3 . . 2.5
72 3JHNHA 84 GLN H 84 GLN HA 4.1 . . 1.5
73 3JHNHA 85 VAL H 85 VAL HA 3.9 . . 1.5
74 3JHNHA 86 TYR H 86 TYR HA 2.4 . . 3.0
75 3JHNHA 87 ARG H 87 ARG HA 3.2 . . 2.5
76 3JHNHA 88 ARG H 88 ARG HA 4.0 . . 1.5
77 3JHNHA 89 PHE H 89 PHE HA 8.6 . . 2.0
78 3JHNHA 90 TYR H 90 TYR HA 8.2 . . 2.0
79 3JHNHA 91 ASP H 91 ASP HA 5.5 . . 1.5
80 3JHNHA 92 GLU H 92 GLU HA 2.8 . . 3.0
81 3JHNHA 93 GLU H 93 GLU HA 5.4 . . 1.5
82 3JHNHA 94 LYS H 94 LYS HA 5.6 . . 1.5
83 3JHNHA 95 GLU H 95 GLU HA 1.1 . . 4.0
84 3JHNHA 96 LYS H 96 LYS HA 4.0 . . 1.5
85 3JHNHA 97 LYS H 97 LYS HA 4.2 . . 1.5
86 3JHNHA 98 TYR H 98 TYR HA 6.4 . . 2.0
87 3JHNHA 100 VAL H 100 VAL HA 8.3 . . 2.0
88 3JHNHA 101 VAL H 101 VAL HA 7.4 . . 2.0
89 3JHNHA 102 ALA H 102 ALA HA 9.0 . . 2.0
90 3JHNHA 103 ILE H 103 ILE HA 7.6 . . 2.0
91 3JHNHA 104 GLU H 104 GLU HA 6.6 . . 2.0
92 3JHNHA 105 ILE H 105 ILE HA 8.3 . . 2.0
93 3JHNHA 106 GLU H 106 GLU HA 8.4 . . 1.5
94 3JHNHA 108 LEU H 108 LEU HA 6.2 . . 1.5
95 3JHNHA 109 GLU H 109 GLU HA 6.4 . . 3.0
96 3JHNHA 110 TYR H 110 TYR HA 7.9 . . 3.0
stop_
save_