data_4462
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H Chemical Shift Assignements for mouse [Cd7]-metallothionein-1
;
_BMRB_accession_number 4462
_BMRB_flat_file_name bmr4462.str
_Entry_type original
_Submission_date 1999-11-21
_Accession_date 1999-11-22
_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 Zangger Klaus . .
2 Oz Gulin . .
3 Otvos James D. .
4 Armitage Ian M. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 257
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2000-03-24 original author .
stop_
_Original_release_date 2000-03-24
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Three-dimensional solution structure of mouse [Cd7]-metallothionein-1 by
homonuclear and heteronuclear NMR spectroscopy
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 20095839
_PubMed_ID 10631978
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Zangger Klaus . .
2 Oz Gulin . .
3 Otvos James D. .
4 Armitage Ian M. .
stop_
_Journal_abbreviation 'Protein Sci.'
_Journal_name_full 'Protein Science'
_Journal_volume 8
_Journal_issue 12
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2630
_Page_last 2638
_Year 1999
_Details .
loop_
_Keyword
protein
metallothionein
'2D NMR'
accordion-HMQC
Cd-113
stop_
save_
##################################
# Molecular system description #
##################################
save_system_mouse_MT1
_Saveframe_category molecular_system
_Mol_system_name 'mouse [Cd7]-metallothionein-1'
_Abbreviation_common 'mouse MT1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'mouse MT1' $mouse_MT1
'113Cd 1' $entity_CD
'113Cd 2' $entity_CD
'113Cd 3' $entity_CD
'113Cd 4' $entity_CD
'113Cd 5' $entity_CD
'113Cd 6' $entity_CD
'113Cd 7' $entity_CD
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not reported'
loop_
_Biological_function
;
metal storage (assumed)
metal distribution (assumed)
metal detoxification (assumed)
;
stop_
_Database_query_date .
_Details 'This is the first mammalian metallothionein isoform 1 studied by NMR'
save_
########################
# Monomeric polymers #
########################
save_mouse_MT1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'mouse [Cd7]-metallothionein-1'
_Abbreviation_common 'mouse MT1'
_Molecular_mass .
_Mol_thiol_state 'not reported'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 61
_Mol_residue_sequence
;
MDPNCSCSTGGSCTCTSSCA
CKNCKCTSCKKSCCSCCPVG
CSKCAQGCVCKGAADKCTCC
A
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASP 3 PRO 4 ASN 5 CYS
6 SER 7 CYS 8 SER 9 THR 10 GLY
11 GLY 12 SER 13 CYS 14 THR 15 CYS
16 THR 17 SER 18 SER 19 CYS 20 ALA
21 CYS 22 LYS 23 ASN 24 CYS 25 LYS
26 CYS 27 THR 28 SER 29 CYS 30 LYS
31 LYS 32 SER 33 CYS 34 CYS 35 SER
36 CYS 37 CYS 38 PRO 39 VAL 40 GLY
41 CYS 42 SER 43 LYS 44 CYS 45 ALA
46 GLN 47 GLY 48 CYS 49 VAL 50 CYS
51 LYS 52 GLY 53 ALA 54 ALA 55 ASP
56 LYS 57 CYS 58 THR 59 CYS 60 CYS
61 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-14
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 1DFS "Solution Structure Of The Alpha-Domain Of Mouse Metallothionein-1" 50.82 31 100.00 100.00 2.66e-08
DBJ BAC25563 "unnamed protein product [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27
GB AAA39527 "metallothionein-I [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27
GB AAB26768 "metallothionein-1 [Mus sp.]" 100.00 61 100.00 100.00 4.12e-27
GB AAH36990 "Metallothionein 1 [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27
GB EDL11119 "metallothionein 1, isoform CRA_b [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27
PIR I54574 "metallothionein-1 - mouse" 100.00 61 100.00 100.00 4.12e-27
REF NP_038630 "metallothionein-1 [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27
SP P02802 "RecName: Full=Metallothionein-1; Short=MT-1; AltName: Full=Metallothionein-I; Short=MT-I" 100.00 61 100.00 100.00 4.12e-27
stop_
save_
#############
# Ligands #
#############
save_CD
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common 'CADMIUM ION'
_BMRB_code CD
_PDB_code CD
_Molecular_mass 112.411
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
CD CD CD . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$mouse_MT1 mouse 10090 Eukaryota Metazoa Mus musculus
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
$mouse_MT1 'recombinant technology' 'E. coli' Escherichia coli BL21(pLysS) pET3d
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
$mouse_MT1 0.7 mM .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1a
loop_
_Task
'spectral processing'
stop_
_Details 'commercial program by Varian'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label $sample_1
save_
save_2D_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY'
_Sample_label $sample_1
save_
save_Cd-H_accordion_HMQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Cd-H accordion HMQC'
_Sample_label $sample_1
save_
save_The_NOESY_and_TOCSY_sequences_had_a_watergate_block_at_the_end_for_solvent_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'The NOESY and TOCSY sequences had a watergate block at the end for solvent'
_Sample_label $sample_1
save_
save_suppression_5
_Saveframe_category NMR_applied_experiment
_Experiment_name suppression
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Cd-H accordion HMQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'The NOESY and TOCSY sequences had a watergate block at the end for solvent'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name suppression
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Experimental_conditions_1
_Saveframe_category sample_conditions
_Details
;
The sample was equilibrated for 30 minutes under these conditions
before the spectra were collected
;
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.3 n/a
temperature 273 2 K
'ionic strength' 0.18 0.05 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
H2O H 1 protons ppm 4.94 internal direct cylindrical internal parallel_to_Bo . $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_set_1
_Saveframe_category assigned_chemical_shifts
_Details
;
Not all signals were observed, which may result from the high flexibility
of this protein
;
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Experimental_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'mouse MT1'
_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 H H 7.94 . 1
2 . 1 MET HA H 4.61 . 1
3 . 1 MET HB2 H 2.63 . 2
4 . 1 MET HB3 H 2.50 . 2
5 . 2 ASP H H 7.70 . 1
6 . 2 ASP HA H 4.96 . 1
7 . 2 ASP HB2 H 2.98 . 2
8 . 2 ASP HB3 H 2.55 . 2
9 . 3 PRO HA H 4.39 . 1
10 . 3 PRO HB2 H 2.31 . 1
11 . 3 PRO HB3 H 2.31 . 1
12 . 3 PRO HG2 H 2.04 . 2
13 . 3 PRO HG3 H 1.96 . 2
14 . 3 PRO HD2 H 3.87 . 1
15 . 3 PRO HD3 H 3.87 . 1
16 . 4 ASN H H 8.69 . 1
17 . 4 ASN HA H 4.76 . 1
18 . 4 ASN HB2 H 2.83 . 1
19 . 4 ASN HB3 H 2.83 . 1
20 . 4 ASN HD21 H 7.96 . 2
21 . 4 ASN HD22 H 7.08 . 2
22 . 5 CYS H H 7.81 . 1
23 . 5 CYS HA H 4.98 . 1
24 . 5 CYS HB2 H 3.20 . 2
25 . 5 CYS HB3 H 2.91 . 2
26 . 6 SER H H 8.47 . 1
27 . 6 SER HA H 4.74 . 1
28 . 6 SER HB2 H 3.92 . 1
29 . 6 SER HB3 H 3.92 . 1
30 . 7 CYS HA H 4.37 . 1
31 . 7 CYS HB2 H 3.26 . 1
32 . 7 CYS HB3 H 3.26 . 1
33 . 8 SER H H 8.79 . 1
34 . 8 SER HA H 4.65 . 1
35 . 8 SER HB2 H 4.15 . 2
36 . 8 SER HB3 H 3.91 . 2
37 . 9 THR H H 8.26 . 1
38 . 9 THR HA H 4.58 . 1
39 . 9 THR HB H 4.27 . 1
40 . 9 THR HG2 H 1.38 . 1
41 . 10 GLY H H 8.07 . 1
42 . 10 GLY HA2 H 4.22 . 2
43 . 10 GLY HA3 H 4.04 . 2
44 . 11 GLY H H 8.19 . 1
45 . 11 GLY HA2 H 4.25 . 2
46 . 11 GLY HA3 H 4.03 . 2
47 . 12 SER H H 8.01 . 1
48 . 12 SER HA H 4.55 . 1
49 . 12 SER HB2 H 3.80 . 1
50 . 12 SER HB3 H 3.80 . 1
51 . 13 CYS HA H 4.25 . 1
52 . 13 CYS HB2 H 3.26 . 1
53 . 13 CYS HB3 H 3.26 . 1
54 . 14 THR H H 8.24 . 1
55 . 14 THR HA H 4.84 . 1
56 . 14 THR HG2 H 1.31 . 1
57 . 15 CYS H H 8.61 . 1
58 . 15 CYS HA H 4.24 . 1
59 . 15 CYS HB2 H 3.20 . 2
60 . 15 CYS HB3 H 2.94 . 2
61 . 16 THR H H 8.21 . 1
62 . 16 THR HA H 4.33 . 1
63 . 16 THR HG2 H 1.40 . 1
64 . 17 SER H H 8.46 . 1
65 . 17 SER HA H 4.45 . 1
66 . 17 SER HB2 H 3.96 . 2
67 . 17 SER HB3 H 3.89 . 2
68 . 18 SER H H 7.96 . 1
69 . 18 SER HA H 4.43 . 1
70 . 18 SER HB2 H 3.80 . 1
71 . 18 SER HB3 H 3.80 . 1
72 . 19 CYS H H 8.43 . 1
73 . 19 CYS HA H 4.44 . 1
74 . 19 CYS HB2 H 3.10 . 2
75 . 19 CYS HB3 H 2.92 . 2
76 . 20 ALA H H 9.09 . 1
77 . 20 ALA HA H 4.68 . 1
78 . 20 ALA HB H 1.42 . 1
79 . 21 CYS H H 8.78 . 1
80 . 21 CYS HA H 4.12 . 1
81 . 21 CYS HB2 H 3.38 . 2
82 . 21 CYS HB3 H 2.94 . 2
83 . 22 LYS H H 8.77 . 1
84 . 22 LYS HA H 4.23 . 1
85 . 22 LYS HB2 H 1.80 . 2
86 . 22 LYS HB3 H 1.68 . 2
87 . 22 LYS HG2 H 1.51 . 2
88 . 22 LYS HG3 H 1.42 . 2
89 . 23 ASN H H 8.90 . 1
90 . 23 ASN HA H 4.66 . 1
91 . 23 ASN HB2 H 2.75 . 2
92 . 23 ASN HB3 H 2.59 . 2
93 . 23 ASN HD21 H 7.60 . 2
94 . 23 ASN HD22 H 6.92 . 2
95 . 24 CYS H H 8.50 . 1
96 . 24 CYS HA H 4.48 . 1
97 . 24 CYS HB2 H 2.99 . 1
98 . 24 CYS HB3 H 2.99 . 1
99 . 25 LYS H H 9.21 . 1
100 . 25 LYS HA H 4.42 . 1
101 . 25 LYS HB2 H 4.04 . 2
102 . 25 LYS HB3 H 3.90 . 2
103 . 26 CYS H H 8.66 . 1
104 . 26 CYS HA H 4.22 . 1
105 . 26 CYS HB2 H 3.24 . 2
106 . 26 CYS HB3 H 2.94 . 2
107 . 27 THR H H 8.83 . 1
108 . 27 THR HA H 4.17 . 1
109 . 27 THR HB H 4.41 . 1
110 . 27 THR HG2 H 1.29 . 1
111 . 28 SER H H 8.21 . 1
112 . 28 SER HA H 4.41 . 1
113 . 28 SER HB2 H 4.07 . 2
114 . 28 SER HB3 H 4.01 . 2
115 . 29 CYS H H 7.33 . 1
116 . 29 CYS HA H 4.35 . 1
117 . 29 CYS HB2 H 3.1 . 2
118 . 29 CYS HB3 H 2.94 . 2
119 . 30 LYS H H 7.78 . 1
120 . 30 LYS HA H 4.33 . 1
121 . 30 LYS HB2 H 1.77 . 2
122 . 30 LYS HB3 H 1.65 . 2
123 . 30 LYS HG2 H 1.40 . 1
124 . 30 LYS HG3 H 1.40 . 1
125 . 31 LYS H H 8.37 . 1
126 . 31 LYS HA H 4.47 . 1
127 . 31 LYS HB2 H 1.87 . 2
128 . 31 LYS HB3 H 1.71 . 2
129 . 31 LYS HG2 H 1.67 . 2
130 . 31 LYS HG3 H 1.46 . 2
131 . 32 SER H H 8.82 . 1
132 . 32 SER HA H 4.41 . 1
133 . 32 SER HB2 H 4.04 . 2
134 . 32 SER HB3 H 3.90 . 2
135 . 33 CYS H H 8.18 . 1
136 . 33 CYS HA H 4.45 . 1
137 . 33 CYS HB2 H 3.26 . 2
138 . 33 CYS HB3 H 3.13 . 2
139 . 34 CYS H H 8.36 . 1
140 . 34 CYS HA H 5.04 . 1
141 . 34 CYS HB2 H 3.56 . 2
142 . 34 CYS HB3 H 3.48 . 2
143 . 35 SER H H 8.99 . 1
144 . 35 SER HA H 4.41 . 1
145 . 35 SER HB2 H 3.99 . 2
146 . 35 SER HB3 H 3.85 . 2
147 . 36 CYS H H 8.51 . 1
148 . 36 CYS HA H 4.49 . 1
149 . 36 CYS HB2 H 3.20 . 2
150 . 36 CYS HB3 H 2.76 . 2
151 . 37 CYS H H 7.21 . 1
152 . 37 CYS HA H 5.12 . 1
153 . 37 CYS HB2 H 3.03 . 2
154 . 37 CYS HB3 H 2.98 . 2
155 . 38 PRO HA H 4.69 . 1
156 . 38 PRO HB2 H 2.30 . 2
157 . 38 PRO HB3 H 2.02 . 2
158 . 38 PRO HG2 H 2.05 . 2
159 . 38 PRO HG3 H 1.84 . 2
160 . 38 PRO HD2 H 3.80 . 2
161 . 38 PRO HD3 H 3.76 . 2
162 . 39 VAL H H 8.59 . 1
163 . 39 VAL HA H 3.82 . 1
164 . 39 VAL HB H 1.92 . 1
165 . 39 VAL HG1 H 0.94 . 2
166 . 39 VAL HG2 H 0.88 . 2
167 . 40 GLY H H 8.91 . 1
168 . 40 GLY HA2 H 4.08 . 2
169 . 40 GLY HA3 H 3.66 . 2
170 . 41 CYS H H 7.04 . 1
171 . 41 CYS HA H 4.11 . 1
172 . 41 CYS HB2 H 3.15 . 1
173 . 41 CYS HB3 H 3.15 . 1
174 . 42 SER H H 9.43 . 1
175 . 42 SER HA H 4.16 . 1
176 . 42 SER HB2 H 4 . 1
177 . 42 SER HB3 H 4 . 1
178 . 43 LYS H H 8.33 . 1
179 . 43 LYS HA H 4.25 . 1
180 . 43 LYS HB2 H 2.03 . 1
181 . 43 LYS HB3 H 2.03 . 1
182 . 43 LYS HG2 H 1.78 . 2
183 . 43 LYS HG3 H 1.59 . 2
184 . 44 CYS H H 7.66 . 1
185 . 44 CYS HA H 4.65 . 1
186 . 44 CYS HB2 H 3.70 . 2
187 . 44 CYS HB3 H 2.63 . 2
188 . 45 ALA H H 7.11 . 1
189 . 45 ALA HA H 4.14 . 1
190 . 45 ALA HB H 1.48 . 1
191 . 46 GLN H H 8.15 . 1
192 . 46 GLN HA H 4.53 . 1
193 . 46 GLN HB2 H 2.41 . 2
194 . 46 GLN HB3 H 2.35 . 2
195 . 46 GLN HG2 H 1.96 . 1
196 . 46 GLN HG3 H 1.96 . 1
197 . 46 GLN HE21 H 7.72 . 2
198 . 46 GLN HE22 H 6.98 . 2
199 . 47 GLY H H 7.40 . 1
200 . 47 GLY HA2 H 4.37 . 2
201 . 47 GLY HA3 H 3.60 . 2
202 . 48 CYS H H 8.85 . 1
203 . 48 CYS HA H 4.37 . 1
204 . 48 CYS HB2 H 2.96 . 2
205 . 48 CYS HB3 H 2.87 . 2
206 . 49 VAL H H 7.40 . 1
207 . 49 VAL HA H 4.65 . 1
208 . 49 VAL HB H 2.52 . 1
209 . 49 VAL HG1 H 1.03 . 2
210 . 49 VAL HG2 H 0.86 . 2
211 . 50 CYS H H 9.14 . 1
212 . 50 CYS HA H 4.52 . 1
213 . 50 CYS HB2 H 3.12 . 2
214 . 50 CYS HB3 H 2.60 . 2
215 . 51 LYS H H 8.50 . 1
216 . 51 LYS HA H 4.27 . 1
217 . 51 LYS HB2 H 1.80 . 2
218 . 51 LYS HB3 H 1.66 . 2
219 . 51 LYS HG2 H 1.46 . 2
220 . 51 LYS HG3 H 1.38 . 2
221 . 52 GLY H H 8.62 . 1
222 . 52 GLY HA2 H 4.04 . 2
223 . 52 GLY HA3 H 3.83 . 2
224 . 53 ALA H H 8.16 . 1
225 . 53 ALA HA H 4.39 . 1
226 . 53 ALA HB H 1.40 . 1
227 . 54 ALA H H 7.77 . 1
228 . 54 ALA HA H 4.33 . 1
229 . 54 ALA HB H 1.39 . 1
230 . 55 ASP H H 8.40 . 1
231 . 55 ASP HA H 4.31 . 1
232 . 55 ASP HB2 H 2.73 . 2
233 . 55 ASP HB3 H 2.68 . 2
234 . 56 LYS H H 7.76 . 1
235 . 56 LYS HA H 4.68 . 1
236 . 56 LYS HB2 H 1.79 . 2
237 . 56 LYS HB3 H 1.70 . 2
238 . 56 LYS HG2 H 1.40 . 1
239 . 56 LYS HG3 H 1.40 . 1
240 . 57 CYS H H 8.57 . 1
241 . 57 CYS HA H 5.20 . 1
242 . 57 CYS HB2 H 3.62 . 2
243 . 57 CYS HB3 H 3.52 . 2
244 . 58 THR H H 8.96 . 1
245 . 58 THR HA H 4.54 . 1
246 . 58 THR HG2 H 1.20 . 1
247 . 59 CYS H H 8.39 . 1
248 . 59 CYS HA H 4.59 . 1
249 . 59 CYS HB2 H 3.25 . 2
250 . 59 CYS HB3 H 3.17 . 2
251 . 60 CYS H H 7.84 . 1
252 . 60 CYS HA H 4.69 . 1
253 . 60 CYS HB2 H 3.07 . 2
254 . 60 CYS HB3 H 2.58 . 2
255 . 61 ALA H H 7.18 . 1
256 . 61 ALA HA H 4.07 . 1
257 . 61 ALA HB H 1.35 . 1
stop_
save_