data_16693
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of a Novel hKv1.1 inhibiting scorpion toxin from Mesibuthus tamulus
;
_BMRB_accession_number 16693
_BMRB_flat_file_name bmr16693.str
_Entry_type original
_Submission_date 2010-01-26
_Accession_date 2010-01-26
_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 G. 'Senthil Kumar' . .
2 Upadhyay Sanjeev . .
3 'M. K.' Mathew . .
4 'P. Sarma' Siddhartha . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 131
"13C chemical shifts" 114
"15N chemical shifts" 31
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-03-24 update BMRB 'update entry citation'
2011-01-25 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of BTK-2, a novel hK(v)1.1 inhibiting scorpion toxin, from the eastern Indian scorpion Mesobuthus tamulus.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21256986
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kumar 'G. Senthil' . .
2 Upadhyay Sanjeev . .
3 Mathew M. K. .
4 Sarma Siddhartha P. .
stop_
_Journal_abbreviation 'Biochim. Biophys. Acta'
_Journal_name_full 'Biochimica et biophysica acta'
_Journal_volume 1814
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 459
_Page_last 469
_Year 2011
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name BTK2
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
BTK2 $BTK2
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_BTK2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common BTK2
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 34
_Mol_residue_sequence
;
GSVGCAECPMHCKGKMAKPT
CENEVCKCNIGKKD
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 VAL 4 GLY 5 CYS
6 ALA 7 GLU 8 CYS 9 PRO 10 MET
11 HIS 12 CYS 13 LYS 14 GLY 15 LYS
16 MET 17 ALA 18 LYS 19 PRO 20 THR
21 CYS 22 GLU 23 ASN 24 GLU 25 VAL
26 CYS 27 LYS 28 CYS 29 ASN 30 ILE
31 GLY 32 LYS 33 LYS 34 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-12
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 2KTC "Solution Structure Of A Novel Hkv1.1 Inhibiting Scorpion Toxin From Mesibuthus Tamulus" 100.00 34 100.00 100.00 5.37e-14
SP P60209 "RecName: Full=Potassium channel toxin alpha-KTx 9.4; AltName: Full=Bt BTK-2; AltName: Full=Toxin BTK-2" 94.12 32 100.00 100.00 1.41e-12
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$BTK2 'Indian red scorpion' 34647 Eukaryota Metazoa Buthus tamulus
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
$BTK2 'recombinant technology' . Escherichia coli . pet21
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_15N_13C_BTK2
_Saveframe_category sample
_Sample_type solution
_Details '99% CD3OH, or 99% CD3OD or 90%/10% H20/D20'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$BTK2 . mM 1 2 '[U-99% 13C; U-99% 15N]'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '99% CD3OH, or 99% CD3OD or 90%/10% H20/D20'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$BTK2 . mM 1 2 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR_NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
'Koradi, Billeter and Wuthrich' . .
Kraulis . .
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'data analysis'
'data analysis'
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details 'A triple resonance probe equipped with z-axis pulse field gradients'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details 'Equipped with z-axis pulsed field gradients'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $15N_13C_BTK2
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $15N_13C_BTK2
save_
save_2D_1H-1H_TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_2
save_
save_2D_1H-1H_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $15N_13C_BTK2
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $15N_13C_BTK2
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $15N_13C_BTK2
save_
save_3D_HNCACB_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $15N_13C_BTK2
save_
save_3D_H(CCO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $15N_13C_BTK2
save_
save_3D_HCCH-COSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $15N_13C_BTK2
save_
save_3D_HNHA_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $15N_13C_BTK2
save_
save_3D_1H-15N_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $15N_13C_BTK2
save_
save_3D_1H-13C_NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $15N_13C_BTK2
save_
save_3D_HACAHBCOSY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HACAHBCOSY'
_Sample_label $15N_13C_BTK2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7 . 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
methanol C 13 protons ppm 39.00 na indirect . . . 0.251449530
methanol H 1 protons ppm 3.300 na indirect . . . 1.0
methanol N 15 protons ppm 118.0 na indirect . . . 0.101329118
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_
_Software_label
$X-PLOR_NIH
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D C(CO)NH'
'3D HNCO'
'3D HNCACB'
'3D H(CCO)NH'
'3D HCCH-COSY'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$15N_13C_BTK2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name BTK2
_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 1 GLY C C 168.380 . 1
2 1 1 GLY CA C 40.460 . 1
3 2 2 SER H H 8.487 . 1
4 2 2 SER HA H 4.618 . 1
5 2 2 SER HB2 H 3.865 . .
6 2 2 SER HB3 H 3.987 . .
7 2 2 SER C C 173.790 . 1
8 2 2 SER CA C 54.830 . 1
9 2 2 SER CB C 62.090 . 1
10 2 2 SER N N 112.950 . 1
11 3 3 VAL H H 8.612 . 1
12 3 3 VAL HA H 3.988 . 1
13 3 3 VAL HB H 2.019 . 1
14 3 3 VAL HG1 H 0.912 . .
15 3 3 VAL C C 176.020 . 1
16 3 3 VAL CA C 61.310 . 1
17 3 3 VAL CB C 29.660 . 1
18 3 3 VAL N N 121.200 . 1
19 4 4 GLY H H 8.486 . 1
20 4 4 GLY C C 175.160 . 1
21 4 4 GLY CA C 43.380 . 1
22 4 4 GLY N N 107.760 . 1
23 5 5 CYS H H 8.121 . 1
24 5 5 CYS HA H 4.379 . 1
25 5 5 CYS C C 175.850 . 1
26 5 5 CYS CA C 55.310 . 1
27 5 5 CYS CB C 36.270 . 1
28 5 5 CYS N N 117.300 . 1
29 6 6 ALA H H 8.493 . 1
30 6 6 ALA HA H 4.063 . 1
31 6 6 ALA HB H 1.490 . 1
32 6 6 ALA C C 177.480 . 1
33 6 6 ALA CA C 52.560 . 1
34 6 6 ALA CB C 15.130 . 1
35 6 6 ALA N N 122.000 . 1
36 7 7 GLU H H 7.709 . 1
37 7 7 GLU HA H 4.462 . 1
38 7 7 GLU HB2 H 2.032 . .
39 7 7 GLU HB3 H 2.263 . .
40 7 7 GLU HG2 H 2.459 . .
41 7 7 GLU HG3 H 2.495 . .
42 7 7 GLU C C 176.020 . 1
43 7 7 GLU CA C 52.910 . 1
44 7 7 GLU CB C 25.840 . 1
45 7 7 GLU CG C 30.180 . 1
46 7 7 GLU N N 110.610 . 1
47 8 8 CYS H H 7.695 . 1
48 8 8 CYS HA H 4.781 . 1
49 8 8 CYS HB2 H 3.117 . .
50 8 8 CYS HB3 H 3.526 . .
51 8 8 CYS CA C 54.750 . 1
52 8 8 CYS CB C 30.470 . 1
53 8 8 CYS N N 120.380 . 1
54 9 9 PRO HA H 4.148 . 1
55 9 9 PRO HB2 H 1.857 . .
56 9 9 PRO HB3 H 2.363 . .
57 9 9 PRO HD2 H 3.664 . .
58 9 9 PRO HD3 H 3.860 . .
59 9 9 PRO HG2 H 1.844 . .
60 9 9 PRO HG3 H 2.152 . .
61 9 9 PRO C C 176.540 . 1
62 9 9 PRO CA C 63.820 . 1
63 9 9 PRO CB C 28.170 . 1
64 9 9 PRO CD C 47.770 . 1
65 9 9 PRO CG C 25.910 . 1
66 10 10 MET H H 7.468 . 1
67 10 10 MET HA H 4.202 . 1
68 10 10 MET HB2 H 2.046 . .
69 10 10 MET HB3 H 2.120 . .
70 10 10 MET C C 176.200 . 1
71 10 10 MET CA C 55.100 . 1
72 10 10 MET CB C 29.480 . 1
73 10 10 MET CG C 26.770 . 1
74 10 10 MET N N 111.930 . 1
75 11 11 HIS H H 8.021 . 1
76 11 11 HIS HA H 4.509 . 1
77 11 11 HIS HB2 H 3.196 . .
78 11 11 HIS HB3 H 3.445 . .
79 11 11 HIS C C 173.270 . 1
80 11 11 HIS CA C 54.690 . 1
81 11 11 HIS CB C 26.850 . 1
82 11 11 HIS N N 114.530 . 1
83 12 12 CYS H H 7.912 . 1
84 12 12 CYS HA H 4.718 . 1
85 12 12 CYS HB2 H 2.450 . .
86 12 12 CYS HB3 H 2.973 . .
87 12 12 CYS C C 173.360 . 1
88 12 12 CYS CA C 51.470 . 1
89 12 12 CYS CB C 34.480 . 1
90 12 12 CYS N N 115.940 . 1
91 13 13 LYS H H 8.021 . 1
92 13 13 LYS HA H 4.366 . 1
93 13 13 LYS HB2 H 1.864 . .
94 13 13 LYS HB3 H 1.883 . .
95 13 13 LYS C C 176.110 . 1
96 13 13 LYS CA C 54.560 . 1
97 13 13 LYS CB C 30.840 . 1
98 13 13 LYS N N 120.650 . 1
99 14 14 GLY H H 8.298 . 1
100 14 14 GLY HA2 H 3.789 . .
101 14 14 GLY HA3 H 4.121 . .
102 14 14 GLY CA C 42.480 . 1
103 14 14 GLY N N 106.390 . 1
104 15 15 LYS HA H 4.255 . 1
105 15 15 LYS HB2 H 1.745 . .
106 15 15 LYS HB3 H 1.890 . .
107 15 15 LYS C C 174.910 . 1
108 15 15 LYS CA C 53.980 . 1
109 15 15 LYS CB C 30.190 . 1
110 15 15 LYS CD C 39.240 . 1
111 15 15 LYS CG C 22.350 . 1
112 16 16 MET H H 8.280 . 1
113 16 16 MET HA H 4.402 . 1
114 16 16 MET HB2 H 2.087 . .
115 16 16 MET HB3 H 2.255 . .
116 16 16 MET C C 173.450 . 1
117 16 16 MET CA C 52.370 . 1
118 16 16 MET CB C 28.470 . 1
119 16 16 MET CG C 30.160 . 1
120 16 16 MET N N 115.270 . 1
121 17 17 ALA H H 7.398 . 1
122 17 17 ALA HA H 4.596 . 1
123 17 17 ALA HB H 1.197 . 1
124 17 17 ALA C C 174.990 . 1
125 17 17 ALA CA C 48.470 . 1
126 17 17 ALA CB C 18.730 . 1
127 17 17 ALA N N 120.100 . 1
128 18 18 LYS H H 8.507 . 1
129 18 18 LYS HA H 4.769 . 1
130 18 18 LYS HB2 H 1.648 . .
131 18 18 LYS HB3 H 1.750 . .
132 18 18 LYS CA C 50.210 . 1
133 18 18 LYS CB C 31.100 . 1
134 18 18 LYS N N 119.420 . 1
135 19 19 PRO HA H 4.109 . 1
136 19 19 PRO HB2 H 1.985 . .
137 19 19 PRO HB3 H 1.834 . .
138 19 19 PRO HG2 H 1.911 . .
139 19 19 PRO HG3 H 2.243 . .
140 19 19 PRO C C 175.590 . 1
141 19 19 PRO CA C 60.190 . 1
142 19 19 PRO CB C 30.160 . 1
143 19 19 PRO CD C 47.750 . 1
144 19 19 PRO CG C 24.060 . 1
145 20 20 THR H H 8.820 . 1
146 20 20 THR HA H 4.471 . 1
147 20 20 THR HB H 4.090 . 1
148 20 20 THR HG2 H 1.119 . 1
149 20 20 THR C C 171.210 . 1
150 20 20 THR CA C 58.430 . 1
151 20 20 THR CB C 69.180 . 1
152 20 20 THR CG2 C 18.370 . 1
153 20 20 THR N N 114.960 . 1
154 21 21 CYS H H 8.820 . 1
155 21 21 CYS HA H 5.373 . 1
156 21 21 CYS HB2 H 3.028 . .
157 21 21 CYS HB3 H 3.068 . .
158 21 21 CYS C C 172.670 . 1
159 21 21 CYS CA C 51.640 . 1
160 21 21 CYS CB C 40.750 . 1
161 21 21 CYS N N 121.190 . 1
162 22 22 GLU H H 8.618 . 1
163 22 22 GLU HA H 4.532 . 1
164 22 22 GLU HB2 H 1.867 . .
165 22 22 GLU HB3 H 1.984 . .
166 22 22 GLU C C 174.560 . 1
167 22 22 GLU CA C 51.940 . 1
168 22 22 GLU CB C 27.560 . 1
169 22 22 GLU CG C 29.550 . 1
170 22 22 GLU N N 124.110 . 1
171 23 23 ASN H H 9.248 . 1
172 23 23 ASN HA H 4.220 . 1
173 23 23 ASN HB2 H 2.767 . .
174 23 23 ASN HB3 H 2.994 . .
175 23 23 ASN HD21 H 7.524 . .
176 23 23 ASN HD22 H 6.937 . .
177 23 23 ASN C C 172.760 . 1
178 23 23 ASN CA C 52.500 . 1
179 23 23 ASN CB C 34.660 . 1
180 23 23 ASN N N 122.220 . 1
181 23 23 ASN ND2 N 112.160 . 1
182 24 24 GLU H H 8.051 . 1
183 24 24 GLU HA H 3.856 . 1
184 24 24 GLU C C 173.700 . 1
185 24 24 GLU CA C 55.020 . 1
186 24 24 GLU CB C 23.610 . 1
187 24 24 GLU CG C 29.970 . 1
188 24 24 GLU N N 105.330 . 1
189 25 25 VAL H H 7.901 . 1
190 25 25 VAL HA H 4.242 . 1
191 25 25 VAL HB H 2.239 . 1
192 25 25 VAL HG1 H 0.956 . .
193 25 25 VAL HG2 H 0.932 . .
194 25 25 VAL C C 173.990 . 1
195 25 25 VAL CA C 58.880 . 1
196 25 25 VAL CB C 31.000 . 1
197 25 25 VAL CG1 C 18.050 . .
198 25 25 VAL N N 119.040 . 1
199 26 26 CYS H H 8.465 . 1
200 26 26 CYS HA H 4.980 . 1
201 26 26 CYS HB2 H 2.579 . .
202 26 26 CYS HB3 H 2.958 . .
203 26 26 CYS C C 172.500 . 1
204 26 26 CYS CA C 51.840 . 1
205 26 26 CYS CB C 33.780 . 1
206 26 26 CYS N N 123.400 . 1
207 27 27 LYS H H 9.104 . 1
208 27 27 LYS HA H 4.629 . 1
209 27 27 LYS HB2 H 1.653 . .
210 27 27 LYS HB3 H 1.769 . .
211 27 27 LYS C C 173.990 . 1
212 27 27 LYS CA C 51.850 . 1
213 27 27 LYS CB C 32.610 . 1
214 27 27 LYS CG C 21.890 . 1
215 27 27 LYS N N 128.450 . 1
216 28 28 CYS H H 8.788 . 1
217 28 28 CYS HA H 5.142 . 1
218 28 28 CYS HB2 H 2.639 . .
219 28 28 CYS HB3 H 2.963 . .
220 28 28 CYS C C 175.850 . 1
221 28 28 CYS CA C 50.010 . 1
222 28 28 CYS CB C 34.660 . 1
223 28 28 CYS N N 120.180 . 1
224 29 29 ASN H H 8.530 . 1
225 29 29 ASN HA H 4.849 . 1
226 29 29 ASN HB2 H 2.658 . .
227 29 29 ASN HB3 H 2.731 . .
228 29 29 ASN HD21 H 7.608 . .
229 29 29 ASN HD22 H 6.874 . .
230 29 29 ASN C C 173.620 . 1
231 29 29 ASN CA C 50.140 . 1
232 29 29 ASN CB C 37.780 . 1
233 29 29 ASN N N 121.400 . 1
234 30 30 ILE H H 8.404 . 1
235 30 30 ILE HA H 4.422 . 1
236 30 30 ILE HB H 1.865 . 1
237 30 30 ILE HD1 H 0.940 . 1
238 30 30 ILE HG12 H 1.179 . .
239 30 30 ILE HG13 H 1.542 . .
240 30 30 ILE C C 174.910 . 1
241 30 30 ILE CA C 58.330 . 1
242 30 30 ILE CB C 36.380 . 1
243 30 30 ILE CD1 C 10.250 . 1
244 30 30 ILE CG1 C 24.470 . 1
245 30 30 ILE N N 119.830 . 1
246 31 31 GLY H H 8.437 . 1
247 31 31 GLY HA2 H 3.892 . .
248 31 31 GLY HA3 H 3.901 . .
249 31 31 GLY C C 174.470 . 1
250 31 31 GLY CA C 42.240 . 1
251 31 31 GLY N N 110.520 . 1
252 32 32 LYS H H 8.082 . 1
253 32 32 LYS HA H 4.367 . 1
254 32 32 LYS HB2 H 1.714 . .
255 32 32 LYS HB3 H 1.859 . .
256 32 32 LYS C C 174.820 . 1
257 32 32 LYS CA C 53.230 . 1
258 32 32 LYS CB C 31.110 . 1
259 32 32 LYS CD C 26.700 . 1
260 32 32 LYS CG C 21.930 . 1
261 32 32 LYS N N 118.130 . 1
262 33 33 LYS H H 8.327 . 1
263 33 33 LYS HA H 4.360 . 1
264 33 33 LYS HB2 H 1.725 . .
265 33 33 LYS HB3 H 1.859 . .
266 33 33 LYS C C 174.390 . 1
267 33 33 LYS CA C 53.340 . 1
268 33 33 LYS CB C 31.020 . 1
269 33 33 LYS CD C 26.470 . .
270 33 33 LYS CG C 22.030 . 1
271 33 33 LYS N N 120.430 . 1
272 34 34 ASP H H 8.162 . 1
273 34 34 ASP HA H 4.653 . 1
274 34 34 ASP CA C 49.260 . 1
275 34 34 ASP CB C 35.960 . 1
276 34 34 ASP N N 118.650 . 1
stop_
save_