data_15059
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, and 15N Chemical Shift Assignments for the muscular LIM protein MLP/CRP3.
;
_BMRB_accession_number 15059
_BMRB_flat_file_name bmr15059.str
_Entry_type original
_Submission_date 2006-11-30
_Accession_date 2006-11-30
_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 Thomas Schallus . .
2 Claudia Muhle-Goll . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 728
"13C chemical shifts" 485
"15N chemical shifts" 163
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-31 update BMRB 'complete entry citation'
2007-06-26 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title '1H, 13C, and 15N assignment of the muscular LIM protein MLP/CRP3'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636821
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Schallus Thomas . .
2 Edlich Christian . .
3 Stier Gunter . .
4 Muhle-Goll Claudia . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 1
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 41
_Page_last 43
_Year 2007
_Details .
loop_
_Keyword
'MLP,CRP,LIM domain'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name MLP
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
MLP $MLP
'ZINC (II) ION, 1' $ZN
'ZINC (II) ION, 2' $ZN
'ZINC (II) ION, 3' $ZN
'ZINC (II) ION, 4' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_MLP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common MLP
_Molecular_mass .
_Mol_thiol_state 'free and other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 194
_Mol_residue_sequence
;
MANWGGGAKCGACEKTVYHA
EEIQCNGRSFHKTCFHCMAC
RKALDSTTVAAHESEIYCKV
CYGRRYGPKGIGYGQGAGCL
STDTGEHLGLQFQQSPKPAR
SVTTSNPSKFTAKFGESEKC
PRCGKSVYAAEKVMGGGKPW
HKTCFRCAICGKSLESTNVT
DKDGELYCKVCYAKNFGPTG
IGFGGLTQQVEKKE
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 ASN 4 TRP 5 GLY
6 GLY 7 GLY 8 ALA 9 LYS 10 CYS
11 GLY 12 ALA 13 CYS 14 GLU 15 LYS
16 THR 17 VAL 18 TYR 19 HIS 20 ALA
21 GLU 22 GLU 23 ILE 24 GLN 25 CYS
26 ASN 27 GLY 28 ARG 29 SER 30 PHE
31 HIS 32 LYS 33 THR 34 CYS 35 PHE
36 HIS 37 CYS 38 MET 39 ALA 40 CYS
41 ARG 42 LYS 43 ALA 44 LEU 45 ASP
46 SER 47 THR 48 THR 49 VAL 50 ALA
51 ALA 52 HIS 53 GLU 54 SER 55 GLU
56 ILE 57 TYR 58 CYS 59 LYS 60 VAL
61 CYS 62 TYR 63 GLY 64 ARG 65 ARG
66 TYR 67 GLY 68 PRO 69 LYS 70 GLY
71 ILE 72 GLY 73 TYR 74 GLY 75 GLN
76 GLY 77 ALA 78 GLY 79 CYS 80 LEU
81 SER 82 THR 83 ASP 84 THR 85 GLY
86 GLU 87 HIS 88 LEU 89 GLY 90 LEU
91 GLN 92 PHE 93 GLN 94 GLN 95 SER
96 PRO 97 LYS 98 PRO 99 ALA 100 ARG
101 SER 102 VAL 103 THR 104 THR 105 SER
106 ASN 107 PRO 108 SER 109 LYS 110 PHE
111 THR 112 ALA 113 LYS 114 PHE 115 GLY
116 GLU 117 SER 118 GLU 119 LYS 120 CYS
121 PRO 122 ARG 123 CYS 124 GLY 125 LYS
126 SER 127 VAL 128 TYR 129 ALA 130 ALA
131 GLU 132 LYS 133 VAL 134 MET 135 GLY
136 GLY 137 GLY 138 LYS 139 PRO 140 TRP
141 HIS 142 LYS 143 THR 144 CYS 145 PHE
146 ARG 147 CYS 148 ALA 149 ILE 150 CYS
151 GLY 152 LYS 153 SER 154 LEU 155 GLU
156 SER 157 THR 158 ASN 159 VAL 160 THR
161 ASP 162 LYS 163 ASP 164 GLY 165 GLU
166 LEU 167 TYR 168 CYS 169 LYS 170 VAL
171 CYS 172 TYR 173 ALA 174 LYS 175 ASN
176 PHE 177 GLY 178 PRO 179 THR 180 GLY
181 ILE 182 GLY 183 PHE 184 GLY 185 GLY
186 LEU 187 THR 188 GLN 189 GLN 190 VAL
191 GLU 192 LYS 193 LYS 194 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
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
DBJ BAA13721 "muscle LIM protein [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
DBJ BAB22580 "unnamed protein product [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
DBJ BAB27741 "unnamed protein product [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
DBJ BAG36097 "unnamed protein product [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
DBJ BAI46094 "cysteine and glycine-rich protein 3 [synthetic construct]" 100.00 194 99.48 99.48 6.73e-138
EMBL CAA90039 "murine muscle LIM protein [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
GB AAA91104 "LIM domain protein [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
GB AAA92571 "LIM protein MLP [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
GB AAD00183 "LIM protein MLP [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
GB AAD00189 "LIM protein MLP [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
GB AAF28868 "myogenic factor LIM3 [Homo sapiens]" 100.00 194 98.97 99.48 5.68e-137
REF NP_001165839 "cysteine and glycine-rich protein 3 [Sus scrofa]" 100.00 194 97.94 98.45 5.71e-136
REF NP_001185770 "cysteine and glycine-rich protein 3 [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
REF NP_003467 "cysteine and glycine-rich protein 3 [Homo sapiens]" 100.00 194 99.48 99.48 6.73e-138
REF NP_038836 "cysteine and glycine-rich protein 3 [Mus musculus]" 100.00 194 97.42 98.97 8.19e-136
REF XP_001095430 "PREDICTED: cysteine and glycine-rich protein 3 isoform 2 [Macaca mulatta]" 100.00 194 98.45 98.45 2.20e-136
SP P50461 "RecName: Full=Cysteine and glycine-rich protein 3; AltName: Full=Cardiac LIM protein; AltName: Full=Cysteine-rich protein 3; Sh" 100.00 194 99.48 99.48 6.73e-138
SP P50462 "RecName: Full=Cysteine and glycine-rich protein 3; AltName: Full=Cysteine-rich protein 3; Short=CRP3; AltName: Full=LIM domain " 100.00 194 97.42 98.97 8.19e-136
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Oct 4 22:26:32 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 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
$MLP Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$MLP 'recombinant technology' . Escherichia coli . pET24
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
$MLP 1.0 mM '[U-100% 13C; U-100% 15N]'
$ZN 1.0 mM none
KHPO4 20 mM none
KCl 150 mM none
DTT 2 mM none
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCA_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 150 . mM
pH 6.8 . pH
pressure 1 . atm
temperature 295 . 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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
water C 13 protons ppm 4.79 external indirect . . . 0.25145 $entry_citation $entry_citation
water H 1 protons ppm 4.79 internal direct . . . 1.0 $entry_citation $entry_citation
water N 15 protons ppm 4.79 external indirect . . . 0.10132 $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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name MLP
_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 MET H H 8.372 . 1
2 1 1 MET HA H 4.318 . 1
3 1 1 MET HB2 H 1.914 . 2
4 1 1 MET HG2 H 2.446 . 2
5 1 1 MET HE H 1.980 . 1
6 1 1 MET CA C 55.004 . 1
7 1 1 MET CB C 32.536 . 1
8 1 1 MET CG C 31.771 . 1
9 1 1 MET CE C 16.657 . 1
10 1 1 MET N N 119.758 . 1
11 2 2 ALA H H 8.244 . 1
12 2 2 ALA HA H 4.119 . 1
13 2 2 ALA HB H 1.189 . 1
14 2 2 ALA CA C 52.431 . 1
15 2 2 ALA CB C 18.985 . 1
16 2 2 ALA N N 125.419 . 1
17 3 3 ASN H H 8.239 . 1
18 3 3 ASN HA H 4.546 . 1
19 3 3 ASN HB2 H 2.613 . 2
20 3 3 ASN HD21 H 7.493 . 2
21 3 3 ASN HD22 H 6.813 . 2
22 3 3 ASN CA C 52.921 . 1
23 3 3 ASN CB C 38.577 . 1
24 3 3 ASN N N 117.590 . 1
25 3 3 ASN ND2 N 112.648 . 1
26 4 4 TRP H H 8.056 . 1
27 4 4 TRP HA H 4.599 . 1
28 4 4 TRP HB2 H 3.190 . 2
29 4 4 TRP HD1 H 7.170 . 1
30 4 4 TRP HE1 H 10.113 . 1
31 4 4 TRP HE3 H 7.520 . 1
32 4 4 TRP HZ2 H 7.400 . 1
33 4 4 TRP HZ3 H 7.066 . 1
34 4 4 TRP HH2 H 7.149 . 1
35 4 4 TRP CA C 57.367 . 1
36 4 4 TRP CB C 29.378 . 1
37 4 4 TRP CD1 C 127.168 . 1
38 4 4 TRP CE3 C 121.266 . 1
39 4 4 TRP CZ2 C 114.743 . 1
40 4 4 TRP CZ3 C 122.198 . 1
41 4 4 TRP CH2 C 124.683 . 1
42 4 4 TRP N N 121.685 . 1
43 4 4 TRP NE1 N 129.518 . 1
44 5 5 GLY H H 8.295 . 1
45 5 5 GLY HA2 H 3.804 . 2
46 5 5 GLY CA C 45.358 . 1
47 5 5 GLY N N 110.966 . 1
48 6 6 GLY H H 7.673 . 1
49 6 6 GLY HA2 H 3.775 . 2
50 6 6 GLY CA C 45.108 . 1
51 6 6 GLY N N 107.955 . 1
52 7 7 GLY H H 8.008 . 1
53 7 7 GLY HA2 H 3.727 . 2
54 7 7 GLY CA C 44.786 . 1
55 7 7 GLY N N 108.557 . 1
56 8 8 ALA H H 8.073 . 1
57 8 8 ALA HA H 4.261 . 1
58 8 8 ALA HB H 1.123 . 1
59 8 8 ALA CA C 50.993 . 1
60 8 8 ALA CB C 20.532 . 1
61 8 8 ALA N N 124.214 . 1
62 9 9 LYS H H 8.218 . 1
63 9 9 LYS HA H 3.976 . 1
64 9 9 LYS HB2 H 1.432 . 2
65 9 9 LYS HB3 H 1.251 . 2
66 9 9 LYS HG2 H 1.167 . 2
67 9 9 LYS HG3 H 1.071 . 2
68 9 9 LYS HE2 H 2.831 . 2
69 9 9 LYS CA C 55.000 . 1
70 9 9 LYS CB C 33.256 . 1
71 9 9 LYS CG C 24.428 . 1
72 9 9 LYS CD C 28.768 . 1
73 9 9 LYS CE C 41.845 . 1
74 9 9 LYS N N 119.638 . 1
75 10 10 CYS H H 8.190 . 1
76 10 10 CYS HA H 4.028 . 1
77 10 10 CYS HB2 H 3.343 . 2
78 10 10 CYS HB3 H 2.271 . 2
79 10 10 CYS CA C 57.951 . 1
80 10 10 CYS CB C 31.107 . 1
81 10 10 CYS N N 126.141 . 1
82 11 11 GLY H H 8.497 . 1
83 11 11 GLY HA2 H 3.792 . 2
84 11 11 GLY HA3 H 3.045 . 2
85 11 11 GLY CA C 46.785 . 1
86 11 11 GLY N N 115.302 . 1
87 12 12 ALA H H 9.165 . 1
88 12 12 ALA HA H 4.822 . 1
89 12 12 ALA HB H 1.752 . 1
90 12 12 ALA CA C 53.264 . 1
91 12 12 ALA CB C 20.885 . 1
92 12 12 ALA N N 123.733 . 1
93 13 13 CYS H H 8.019 . 1
94 13 13 CYS HA H 4.932 . 1
95 13 13 CYS HB2 H 3.288 . 2
96 13 13 CYS HB3 H 2.936 . 2
97 13 13 CYS CA C 58.996 . 1
98 13 13 CYS CB C 31.690 . 1
99 13 13 CYS N N 116.024 . 1
100 14 14 GLU H H 7.927 . 1
101 14 14 GLU HA H 4.000 . 1
102 14 14 GLU HB2 H 2.264 . 2
103 14 14 GLU HG2 H 2.084 . 2
104 14 14 GLU CA C 58.311 . 1
105 14 14 GLU CB C 27.361 . 1
106 14 14 GLU CG C 36.688 . 1
107 14 14 GLU N N 115.904 . 1
108 15 15 LYS H H 8.193 . 1
109 15 15 LYS HA H 4.706 . 1
110 15 15 LYS HB2 H 2.031 . 2
111 15 15 LYS HG2 H 1.581 . 2
112 15 15 LYS HG3 H 1.481 . 2
113 15 15 LYS HD2 H 1.662 . 2
114 15 15 LYS HE2 H 2.979 . 2
115 15 15 LYS CA C 54.945 . 1
116 15 15 LYS CB C 33.658 . 1
117 15 15 LYS CG C 25.310 . 1
118 15 15 LYS CD C 28.736 . 1
119 15 15 LYS CE C 42.246 . 1
120 15 15 LYS N N 119.638 . 1
121 16 16 THR H H 8.422 . 1
122 16 16 THR HA H 4.014 . 1
123 16 16 THR HB H 3.668 . 1
124 16 16 THR HG2 H 0.580 . 1
125 16 16 THR CA C 64.459 . 1
126 16 16 THR CB C 69.088 . 1
127 16 16 THR CG2 C 21.866 . 1
128 16 16 THR N N 118.072 . 1
129 17 17 VAL H H 8.741 . 1
130 17 17 VAL HA H 3.997 . 1
131 17 17 VAL HB H 0.959 . 1
132 17 17 VAL HG1 H 0.387 . 2
133 17 17 VAL HG2 H 0.110 . 2
134 17 17 VAL CA C 59.440 . 1
135 17 17 VAL CB C 33.133 . 1
136 17 17 VAL CG1 C 20.485 . 2
137 17 17 VAL CG2 C 20.600 . 2
138 17 17 VAL N N 127.587 . 1
139 18 18 TYR H H 8.983 . 1
140 18 18 TYR HA H 4.581 . 1
141 18 18 TYR HB2 H 3.174 . 2
142 18 18 TYR HB3 H 2.754 . 2
143 18 18 TYR HD1 H 7.157 . 3
144 18 18 TYR HE1 H 6.730 . 3
145 18 18 TYR CA C 57.685 . 1
146 18 18 TYR CB C 38.542 . 1
147 18 18 TYR CD1 C 133.070 . 3
148 18 18 TYR CE1 C 118.160 . 3
149 18 18 TYR N N 129.273 . 1
150 19 19 HIS H H 8.557 . 1
151 19 19 HIS HA H 4.160 . 1
152 19 19 HIS HB2 H 3.060 . 2
153 19 19 HIS HD2 H 6.943 . 1
154 19 19 HIS CA C 59.528 . 1
155 19 19 HIS CB C 29.643 . 1
156 19 19 HIS CD2 C 120.645 . 1
157 19 19 HIS N N 120.842 . 1
158 20 20 ALA H H 8.141 . 1
159 20 20 ALA HA H 4.023 . 1
160 20 20 ALA HB H 1.348 . 1
161 20 20 ALA CA C 54.128 . 1
162 20 20 ALA CB C 18.531 . 1
163 20 20 ALA N N 118.915 . 1
164 21 21 GLU H H 7.680 . 1
165 21 21 GLU HA H 4.497 . 1
166 21 21 GLU HB2 H 2.493 . 2
167 21 21 GLU HB3 H 2.276 . 2
168 21 21 GLU HG2 H 2.385 . 2
169 21 21 GLU HG3 H 2.288 . 2
170 21 21 GLU CA C 54.993 . 1
171 21 21 GLU CB C 30.741 . 1
172 21 21 GLU CG C 36.512 . 1
173 21 21 GLU N N 114.459 . 1
174 22 22 GLU H H 7.115 . 1
175 22 22 GLU HA H 4.282 . 1
176 22 22 GLU HB2 H 1.939 . 2
177 22 22 GLU HG2 H 1.951 . 2
178 22 22 GLU HG3 H 1.726 . 2
179 22 22 GLU CA C 56.801 . 1
180 22 22 GLU CB C 32.305 . 1
181 22 22 GLU CG C 36.530 . 1
182 22 22 GLU N N 120.722 . 1
183 23 23 ILE H H 8.939 . 1
184 23 23 ILE HA H 4.104 . 1
185 23 23 ILE HB H 1.191 . 1
186 23 23 ILE HG12 H 1.161 . 9
187 23 23 ILE HG13 H 0.701 . 9
188 23 23 ILE HG2 H -0.086 . 2
189 23 23 ILE HD1 H 0.487 . 1
190 23 23 ILE CA C 59.951 . 1
191 23 23 ILE CB C 40.444 . 1
192 23 23 ILE CG1 C 28.076 . 1
193 23 23 ILE CG2 C 15.810 . 1
194 23 23 ILE CD1 C 13.146 . 1
195 23 23 ILE N N 125.660 . 1
196 24 24 GLN H H 8.420 . 1
197 24 24 GLN HA H 5.158 . 1
198 24 24 GLN HB2 H 1.799 . 2
199 24 24 GLN HG2 H 2.132 . 2
200 24 24 GLN HG3 H 2.035 . 2
201 24 24 GLN HE21 H 7.282 . 2
202 24 24 GLN HE22 H 6.557 . 2
203 24 24 GLN CA C 54.308 . 1
204 24 24 GLN CB C 30.104 . 1
205 24 24 GLN CG C 33.749 . 1
206 24 24 GLN N N 125.057 . 1
207 24 24 GLN NE2 N 111.253 . 1
208 25 25 CYS H H 9.031 . 1
209 25 25 CYS HA H 4.409 . 1
210 25 25 CYS HB2 H 2.776 . 2
211 25 25 CYS HB3 H 2.546 . 2
212 25 25 CYS CA C 58.889 . 1
213 25 25 CYS CB C 28.880 . 1
214 25 25 CYS N N 123.010 . 1
215 26 26 ASN H H 9.587 . 1
216 26 26 ASN HA H 4.450 . 1
217 26 26 ASN HB2 H 3.199 . 2
218 26 26 ASN HB3 H 2.523 . 2
219 26 26 ASN HD21 H 7.798 . 2
220 26 26 ASN HD22 H 6.900 . 2
221 26 26 ASN CA C 53.860 . 1
222 26 26 ASN CB C 38.031 . 1
223 26 26 ASN N N 129.393 . 1
224 26 26 ASN ND2 N 112.422 . 1
225 27 27 GLY H H 8.793 . 1
226 27 27 GLY HA2 H 4.067 . 2
227 27 27 GLY HA3 H 3.547 . 2
228 27 27 GLY CA C 45.439 . 1
229 27 27 GLY N N 104.342 . 1
230 28 28 ARG H H 7.857 . 1
231 28 28 ARG HA H 4.479 . 1
232 28 28 ARG HB2 H 1.866 . 2
233 28 28 ARG HB3 H 1.580 . 2
234 28 28 ARG HG2 H 1.613 . 2
235 28 28 ARG HD2 H 3.093 . 2
236 28 28 ARG CA C 54.536 . 1
237 28 28 ARG CB C 32.934 . 1
238 28 28 ARG CG C 28.109 . 1
239 28 28 ARG CD C 43.394 . 1
240 28 28 ARG N N 120.962 . 1
241 29 29 SER H H 8.476 . 1
242 29 29 SER HA H 4.777 . 1
243 29 29 SER HB2 H 3.340 . 2
244 29 29 SER HB3 H 3.109 . 2
245 29 29 SER CA C 58.382 . 1
246 29 29 SER CB C 64.980 . 1
247 29 29 SER N N 116.988 . 1
248 30 30 PHE H H 8.813 . 1
249 30 30 PHE HA H 5.686 . 1
250 30 30 PHE HB2 H 3.000 . 2
251 30 30 PHE HB3 H 2.467 . 2
252 30 30 PHE HD1 H 7.102 . 3
253 30 30 PHE HE1 H 7.216 . 3
254 30 30 PHE CA C 55.858 . 1
255 30 30 PHE CB C 43.367 . 1
256 30 30 PHE CD1 C 132.449 . 3
257 30 30 PHE CE1 C 132.449 . 3
258 30 30 PHE N N 117.951 . 1
259 31 31 HIS H H 8.518 . 1
260 31 31 HIS HA H 4.630 . 1
261 31 31 HIS HB2 H 3.552 . 2
262 31 31 HIS HD2 H 7.440 . 1
263 31 31 HIS HE1 H 7.150 . 1
264 31 31 HIS CA C 59.506 . 1
265 31 31 HIS CB C 30.663 . 1
266 31 31 HIS CD2 C 119.403 . 1
267 31 31 HIS CE1 C 138.351 . 1
268 31 31 HIS N N 119.638 . 1
269 32 32 LYS H H 9.260 . 1
270 32 32 LYS HA H 3.957 . 1
271 32 32 LYS HB2 H 1.999 . 2
272 32 32 LYS HB3 H 1.890 . 2
273 32 32 LYS HG2 H 1.390 . 2
274 32 32 LYS HD2 H 1.698 . 2
275 32 32 LYS HE2 H 2.872 . 2
276 32 32 LYS CA C 61.131 . 1
277 32 32 LYS CB C 32.115 . 1
278 32 32 LYS CG C 25.997 . 1
279 32 32 LYS CD C 29.755 . 1
280 32 32 LYS CE C 42.055 . 1
281 32 32 LYS N N 126.744 . 1
282 33 33 THR H H 8.162 . 1
283 33 33 THR HA H 4.316 . 1
284 33 33 THR HB H 4.476 . 1
285 33 33 THR HG2 H 1.292 . 1
286 33 33 THR CA C 63.217 . 1
287 33 33 THR CB C 68.133 . 1
288 33 33 THR CG2 C 22.158 . 1
289 33 33 THR N N 106.510 . 1
290 34 34 CYS H H 7.574 . 1
291 34 34 CYS HA H 4.437 . 1
292 34 34 CYS HB2 H 3.427 . 2
293 34 34 CYS HB3 H 3.137 . 2
294 34 34 CYS CA C 60.334 . 1
295 34 34 CYS CB C 31.352 . 1
296 34 34 CYS N N 118.072 . 1
297 35 35 PHE H H 7.486 . 1
298 35 35 PHE HA H 4.123 . 1
299 35 35 PHE HB2 H 3.314 . 2
300 35 35 PHE HB3 H 2.602 . 2
301 35 35 PHE HD1 H 6.538 . 3
302 35 35 PHE HE1 H 6.392 . 3
303 35 35 PHE HZ H 6.836 . 1
304 35 35 PHE CA C 57.679 . 1
305 35 35 PHE CB C 37.170 . 1
306 35 35 PHE CD1 C 132.759 . 3
307 35 35 PHE CE1 C 130.274 . 3
308 35 35 PHE CZ C 129.032 . 1
309 35 35 PHE N N 125.539 . 1
310 36 36 HIS H H 7.293 . 1
311 36 36 HIS HA H 4.786 . 1
312 36 36 HIS HB2 H 2.465 . 2
313 36 36 HIS HD2 H 6.529 . 1
314 36 36 HIS HE1 H 7.776 . 1
315 36 36 HIS CA C 52.991 . 1
316 36 36 HIS CB C 32.968 . 1
317 36 36 HIS CD2 C 124.062 . 1
318 36 36 HIS CE1 C 137.729 . 1
319 36 36 HIS N N 120.360 . 1
320 37 37 CYS H H 8.765 . 1
321 37 37 CYS HA H 3.785 . 1
322 37 37 CYS HB2 H 3.328 . 2
323 37 37 CYS HB3 H 2.767 . 2
324 37 37 CYS CA C 59.905 . 1
325 37 37 CYS CB C 30.935 . 1
326 37 37 CYS N N 121.083 . 1
327 38 38 MET H H 9.015 . 1
328 38 38 MET HA H 4.027 . 1
329 38 38 MET HB2 H 2.118 . 2
330 38 38 MET HB3 H 1.519 . 2
331 38 38 MET HG2 H 2.840 . 2
332 38 38 MET HG3 H 2.517 . 2
333 38 38 MET HE H 2.330 . 1
334 38 38 MET CA C 59.124 . 1
335 38 38 MET CB C 31.698 . 1
336 38 38 MET CG C 34.259 . 1
337 38 38 MET CE C 17.588 . 1
338 38 38 MET N N 130.116 . 1
339 39 39 ALA H H 9.276 . 1
340 39 39 ALA HA H 4.797 . 1
341 39 39 ALA HB H 1.775 . 1
342 39 39 ALA CA C 53.981 . 1
343 39 39 ALA CB C 20.762 . 1
344 39 39 ALA N N 123.973 . 1
345 40 40 CYS H H 8.795 . 1
346 40 40 CYS HA H 4.890 . 1
347 40 40 CYS HB2 H 3.249 . 2
348 40 40 CYS HB3 H 2.625 . 2
349 40 40 CYS CA C 59.558 . 1
350 40 40 CYS CB C 32.635 . 1
351 40 40 CYS N N 119.156 . 1
352 41 41 ARG H H 7.814 . 1
353 41 41 ARG HA H 4.085 . 1
354 41 41 ARG HB2 H 2.095 . 2
355 41 41 ARG HB3 H 1.939 . 2
356 41 41 ARG HG2 H 1.396 . 2
357 41 41 ARG HD2 H 3.014 . 2
358 41 41 ARG CA C 57.915 . 1
359 41 41 ARG CB C 26.984 . 1
360 41 41 ARG CG C 26.619 . 1
361 41 41 ARG CD C 42.342 . 1
362 41 41 ARG N N 116.386 . 1
363 42 42 LYS H H 8.478 . 1
364 42 42 LYS HA H 4.168 . 1
365 42 42 LYS HB2 H 2.007 . 2
366 42 42 LYS HB3 H 1.601 . 2
367 42 42 LYS HG2 H 1.446 . 2
368 42 42 LYS HE2 H 3.022 . 2
369 42 42 LYS CA C 57.606 . 1
370 42 42 LYS CB C 33.553 . 1
371 42 42 LYS CG C 24.497 . 1
372 42 42 LYS CD C 29.539 . 1
373 42 42 LYS CE C 41.788 . 1
374 42 42 LYS N N 124.455 . 1
375 43 43 ALA H H 8.687 . 1
376 43 43 ALA HA H 3.632 . 1
377 43 43 ALA HB H 1.311 . 1
378 43 43 ALA CA C 53.347 . 1
379 43 43 ALA CB C 18.564 . 1
380 43 43 ALA N N 127.466 . 1
381 44 44 LEU H H 7.615 . 1
382 44 44 LEU HA H 4.385 . 1
383 44 44 LEU HB2 H 0.685 . 2
384 44 44 LEU HG H -0.234 . 1
385 44 44 LEU HD1 H 0.432 . 2
386 44 44 LEU HD2 H 1.276 . 2
387 44 44 LEU CA C 52.975 . 1
388 44 44 LEU CB C 44.891 . 1
389 44 44 LEU CG C 25.711 . 1
390 44 44 LEU CD1 C 21.781 . 2
391 44 44 LEU CD2 C 25.842 . 1
392 44 44 LEU N N 121.324 . 1
393 45 45 ASP H H 7.717 . 1
394 45 45 ASP HB2 H 3.160 . 2
395 45 45 ASP HB3 H 2.708 . 2
396 45 45 ASP CA C 52.674 . 1
397 45 45 ASP CB C 43.050 . 1
398 45 45 ASP N N 116.988 . 1
399 46 46 SER H H 8.883 . 1
400 46 46 SER HA H 4.222 . 1
401 46 46 SER HB2 H 3.971 . 2
402 46 46 SER CA C 62.810 . 1
403 46 46 SER CB C 62.810 . 1
404 46 46 SER N N 114.097 . 1
405 47 47 THR H H 8.949 . 1
406 47 47 THR HA H 4.514 . 1
407 47 47 THR HB H 4.315 . 1
408 47 47 THR HG2 H 1.177 . 1
409 47 47 THR CA C 62.897 . 1
410 47 47 THR CB C 69.379 . 1
411 47 47 THR CG2 C 21.833 . 1
412 47 47 THR N N 113.254 . 1
413 48 48 THR H H 7.707 . 1
414 48 48 THR HA H 4.431 . 1
415 48 48 THR HB H 4.415 . 1
416 48 48 THR HG2 H 1.192 . 1
417 48 48 THR CA C 61.077 . 1
418 48 48 THR CB C 70.389 . 1
419 48 48 THR CG2 C 22.558 . 1
420 48 48 THR N N 111.448 . 1
421 49 49 VAL H H 7.367 . 1
422 49 49 VAL HA H 4.240 . 1
423 49 49 VAL HB H 1.809 . 1
424 49 49 VAL HG1 H 1.007 . 2
425 49 49 VAL HG2 H 0.700 . 2
426 49 49 VAL CA C 61.200 . 1
427 49 49 VAL CB C 32.319 . 1
428 49 49 VAL CG1 C 19.188 . 2
429 49 49 VAL CG2 C 22.794 . 2
430 49 49 VAL N N 120.240 . 1
431 50 50 ALA H H 9.039 . 1
432 50 50 ALA HA H 4.233 . 1
433 50 50 ALA HB H 0.678 . 1
434 50 50 ALA CA C 51.309 . 1
435 50 50 ALA CB C 20.367 . 1
436 50 50 ALA N N 131.441 . 1
437 51 51 ALA H H 8.260 . 1
438 51 51 ALA HA H 5.056 . 1
439 51 51 ALA HB H 1.262 . 1
440 51 51 ALA CA C 50.749 . 1
441 51 51 ALA CB C 21.719 . 1
442 51 51 ALA N N 124.696 . 1
443 52 52 HIS H H 8.565 . 1
444 52 52 HIS HA H 4.515 . 1
445 52 52 HIS HB2 H 3.051 . 2
446 52 52 HIS HB3 H 2.583 . 2
447 52 52 HIS HD2 H 6.735 . 1
448 52 52 HIS HE1 H 7.715 . 1
449 52 52 HIS CA C 56.310 . 1
450 52 52 HIS CB C 32.391 . 1
451 52 52 HIS CD2 C 120.645 . 1
452 52 52 HIS CE1 C 138.661 . 1
453 52 52 HIS N N 120.842 . 1
454 53 53 GLU H H 8.905 . 1
455 53 53 GLU HA H 3.520 . 1
456 53 53 GLU HB2 H 2.180 . 2
457 53 53 GLU HB3 H 1.951 . 2
458 53 53 GLU HG2 H 1.842 . 2
459 53 53 GLU HG3 H 1.673 . 2
460 53 53 GLU CA C 58.513 . 1
461 53 53 GLU CB C 26.714 . 1
462 53 53 GLU CG C 35.457 . 1
463 53 53 GLU N N 124.214 . 1
464 54 54 SER H H 8.400 . 1
465 54 54 SER HA H 4.574 . 1
466 54 54 SER HB2 H 4.012 . 2
467 54 54 SER CA C 58.432 . 1
468 54 54 SER CB C 63.773 . 1
469 54 54 SER N N 117.831 . 1
470 55 55 GLU H H 8.664 . 1
471 55 55 GLU HA H 4.416 . 1
472 55 55 GLU HB2 H 2.018 . 2
473 55 55 GLU HG2 H 2.405 . 2
474 55 55 GLU CA C 54.988 . 1
475 55 55 GLU CB C 32.299 . 1
476 55 55 GLU CG C 35.940 . 1
477 55 55 GLU N N 120.842 . 1
478 56 56 ILE H H 7.559 . 1
479 56 56 ILE HA H 4.372 . 1
480 56 56 ILE HB H 0.937 . 1
481 56 56 ILE HG12 H 1.349 . 9
482 56 56 ILE HG13 H 0.592 . 9
483 56 56 ILE HG2 H 0.252 . 2
484 56 56 ILE HD1 H -0.103 . 1
485 56 56 ILE CA C 59.862 . 1
486 56 56 ILE CB C 41.184 . 1
487 56 56 ILE CG1 C 24.111 . 1
488 56 56 ILE CG2 C 19.190 . 1
489 56 56 ILE CD1 C 14.367 . 1
490 56 56 ILE N N 115.302 . 1
491 57 57 TYR H H 7.938 . 1
492 57 57 TYR HA H 5.871 . 1
493 57 57 TYR HB2 H 3.712 . 2
494 57 57 TYR HB3 H 2.839 . 2
495 57 57 TYR HD1 H 7.242 . 3
496 57 57 TYR HE1 H 6.828 . 3
497 57 57 TYR CA C 56.382 . 1
498 57 57 TYR CB C 44.903 . 1
499 57 57 TYR CD1 C 133.070 . 3
500 57 57 TYR CE1 C 118.781 . 3
501 57 57 TYR N N 118.674 . 1
502 58 58 CYS H H 9.429 . 1
503 58 58 CYS HA H 5.174 . 1
504 58 58 CYS HB2 H 3.457 . 2
505 58 58 CYS HB3 H 2.730 . 2
506 58 58 CYS CA C 57.560 . 1
507 58 58 CYS CB C 31.243 . 1
508 58 58 CYS N N 116.386 . 1
509 59 59 LYS H H 8.675 . 1
510 59 59 LYS HA H 3.775 . 1
511 59 59 LYS HB2 H 1.854 . 2
512 59 59 LYS HG2 H 1.493 . 2
513 59 59 LYS HG3 H 1.312 . 2
514 59 59 LYS HD2 H 1.613 . 2
515 59 59 LYS HE2 H 2.821 . 2
516 59 59 LYS CA C 60.366 . 1
517 59 59 LYS CB C 32.345 . 1
518 59 59 LYS CG C 26.289 . 1
519 59 59 LYS CD C 29.230 . 1
520 59 59 LYS CE C 42.188 . 1
521 59 59 LYS N N 119.276 . 1
522 60 60 VAL H H 7.814 . 1
523 60 60 VAL HA H 3.696 . 1
524 60 60 VAL HB H 2.236 . 1
525 60 60 VAL HG1 H 1.015 . 2
526 60 60 VAL HG2 H 0.856 . 2
527 60 60 VAL CA C 66.396 . 1
528 60 60 VAL CB C 32.305 . 1
529 60 60 VAL CG1 C 21.033 . 2
530 60 60 VAL CG2 C 22.304 . 2
531 60 60 VAL N N 121.083 . 1
532 61 61 CYS H H 8.914 . 1
533 61 61 CYS HA H 3.697 . 1
534 61 61 CYS HB2 H 3.145 . 2
535 61 61 CYS HB3 H 2.794 . 2
536 61 61 CYS CA C 64.549 . 1
537 61 61 CYS CB C 30.023 . 1
538 61 61 CYS N N 125.660 . 1
539 62 62 TYR H H 8.784 . 1
540 62 62 TYR HA H 3.372 . 1
541 62 62 TYR HB2 H 2.976 . 2
542 62 62 TYR HB3 H 2.880 . 2
543 62 62 TYR HD1 H 6.835 . 3
544 62 62 TYR HE1 H 6.636 . 3
545 62 62 TYR CA C 61.686 . 1
546 62 62 TYR CB C 39.278 . 1
547 62 62 TYR CD1 C 133.381 . 3
548 62 62 TYR CE1 C 118.471 . 3
549 62 62 TYR N N 119.999 . 1
550 63 63 GLY H H 7.920 . 1
551 63 63 GLY HA2 H 3.761 . 2
552 63 63 GLY CA C 46.732 . 1
553 63 63 GLY N N 105.787 . 1
554 64 64 ARG H H 7.359 . 1
555 64 64 ARG HA H 3.928 . 1
556 64 64 ARG HB2 H 1.710 . 2
557 64 64 ARG HG2 H 1.685 . 2
558 64 64 ARG HG3 H 1.481 . 2
559 64 64 ARG HD2 H 3.026 . 2
560 64 64 ARG CA C 58.239 . 1
561 64 64 ARG CB C 30.745 . 1
562 64 64 ARG CG C 27.719 . 1
563 64 64 ARG CD C 43.265 . 1
564 64 64 ARG N N 119.156 . 1
565 65 65 ARG H H 7.165 . 1
566 65 65 ARG HA H 3.733 . 1
567 65 65 ARG HB2 H 0.805 . 2
568 65 65 ARG HB3 H 0.556 . 2
569 65 65 ARG HG2 H 0.866 . 2
570 65 65 ARG HG3 H 0.588 . 2
571 65 65 ARG HD2 H 2.445 . 2
572 65 65 ARG HD3 H 2.337 . 2
573 65 65 ARG CA C 57.626 . 1
574 65 65 ARG CB C 31.435 . 1
575 65 65 ARG CG C 26.869 . 1
576 65 65 ARG CD C 42.751 . 1
577 65 65 ARG N N 117.349 . 1
578 66 66 TYR H H 8.010 . 1
579 66 66 TYR HA H 4.412 . 1
580 66 66 TYR HB2 H 2.797 . 2
581 66 66 TYR HB3 H 1.457 . 2
582 66 66 TYR HD1 H 6.288 . 3
583 66 66 TYR HE1 H 6.220 . 3
584 66 66 TYR CA C 57.520 . 1
585 66 66 TYR CB C 38.836 . 1
586 66 66 TYR CD1 C 133.070 . 3
587 66 66 TYR CE1 C 118.781 . 3
588 66 66 TYR N N 115.543 . 1
589 67 67 GLY H H 7.471 . 1
590 67 67 GLY HA2 H 4.089 . 2
591 67 67 GLY CA C 44.776 . 1
592 67 67 GLY N N 108.918 . 1
593 68 68 PRO HA H 4.301 . 1
594 68 68 PRO HB2 H 2.204 . 2
595 68 68 PRO HB3 H 1.818 . 2
596 68 68 PRO HG2 H 1.963 . 2
597 68 68 PRO HD2 H 3.576 . 2
598 68 68 PRO CA C 63.353 . 1
599 68 68 PRO CB C 32.003 . 1
600 68 68 PRO CG C 27.230 . 1
601 68 68 PRO CD C 49.630 . 1
602 69 69 LYS H H 8.386 . 1
603 69 69 LYS HA H 4.252 . 1
604 69 69 LYS HB2 H 1.782 . 2
605 69 69 LYS HB3 H 1.685 . 2
606 69 69 LYS HG2 H 1.360 . 2
607 69 69 LYS HD2 H 1.553 . 2
608 69 69 LYS HE2 H 2.869 . 2
609 69 69 LYS CA C 55.900 . 1
610 69 69 LYS CB C 32.713 . 1
611 69 69 LYS CG C 24.734 . 1
612 69 69 LYS CD C 28.854 . 1
613 69 69 LYS CE C 42.061 . 1
614 69 69 LYS N N 120.481 . 1
615 70 70 GLY H H 8.179 . 1
616 70 70 GLY HA2 H 3.851 . 2
617 70 70 GLY CA C 45.240 . 1
618 70 70 GLY N N 109.400 . 1
619 71 71 ILE H H 7.944 . 1
620 71 71 ILE HA H 4.073 . 1
621 71 71 ILE HB H 1.775 . 1
622 71 71 ILE HG12 H 1.339 . 9
623 71 71 ILE HG13 H 1.068 . 9
624 71 71 ILE HG2 H 0.805 . 2
625 71 71 ILE HD1 H 0.781 . 1
626 71 71 ILE CA C 61.210 . 1
627 71 71 ILE CB C 38.529 . 1
628 71 71 ILE CG1 C 27.050 . 1
629 71 71 ILE CG2 C 17.366 . 1
630 71 71 ILE CD1 C 13.149 . 1
631 71 71 ILE N N 119.397 . 1
632 72 72 GLY H H 8.430 . 1
633 72 72 GLY HA2 H 3.792 . 2
634 72 72 GLY CA C 45.084 . 1
635 72 72 GLY N N 112.311 . 1
636 73 73 TYR H H 7.997 . 1
637 73 73 TYR HA H 4.441 . 1
638 73 73 TYR HB2 H 2.923 . 2
639 73 73 TYR HD1 H 7.025 . 3
640 73 73 TYR HE1 H 6.757 . 3
641 73 73 TYR CA C 58.509 . 1
642 73 73 TYR CB C 38.674 . 1
643 73 73 TYR CD1 C 133.070 . 3
644 73 73 TYR CE1 C 118.471 . 3
645 73 73 TYR N N 120.240 . 1
646 74 74 GLY H H 8.372 . 1
647 74 74 GLY HA2 H 3.818 . 2
648 74 74 GLY CA C 45.323 . 1
649 74 74 GLY N N 110.966 . 1
650 75 75 GLN H H 8.178 . 1
651 75 75 GLN HA H 4.282 . 1
652 75 75 GLN HB2 H 2.107 . 2
653 75 75 GLN HB3 H 1.915 . 2
654 75 75 GLN HG2 H 2.269 . 2
655 75 75 GLN HE21 H 7.493 . 2
656 75 75 GLN HE22 H 6.813 . 2
657 75 75 GLN CA C 55.776 . 1
658 75 75 GLN CB C 29.343 . 1
659 75 75 GLN CG C 33.710 . 1
660 75 75 GLN N N 119.638 . 1
661 75 75 GLN NE2 N 112.648 . 1
662 76 76 GLY H H 8.436 . 1
663 76 76 GLY HA2 H 3.883 . 2
664 76 76 GLY CA C 45.185 . 1
665 76 76 GLY N N 110.123 . 1
666 77 77 ALA H H 8.194 . 1
667 77 77 ALA HA H 4.244 . 1
668 77 77 ALA HB H 1.316 . 1
669 77 77 ALA CA C 52.586 . 1
670 77 77 ALA CB C 19.191 . 1
671 77 77 ALA N N 123.853 . 1
672 78 78 GLY H H 8.424 . 1
673 78 78 GLY HA2 H 3.873 . 2
674 78 78 GLY CA C 45.253 . 1
675 78 78 GLY N N 108.316 . 1
676 79 79 CYS H H 8.079 . 1
677 79 79 CYS HA H 4.427 . 1
678 79 79 CYS HB2 H 2.838 . 2
679 79 79 CYS CA C 58.404 . 1
680 79 79 CYS CB C 28.080 . 1
681 79 79 CYS N N 118.794 . 1
682 80 80 LEU H H 8.373 . 1
683 80 80 LEU HA H 4.353 . 1
684 80 80 LEU HB2 H 1.585 . 2
685 80 80 LEU HG H 1.593 . 1
686 80 80 LEU HD1 H 0.854 . 2
687 80 80 LEU HD2 H 0.805 . 2
688 80 80 LEU CA C 55.146 . 1
689 80 80 LEU CB C 42.295 . 1
690 80 80 LEU CG C 26.892 . 1
691 80 80 LEU CD1 C 24.867 . 2
692 80 80 LEU CD2 C 23.208 . 2
693 80 80 LEU N N 124.576 . 1
694 81 81 SER H H 8.332 . 1
695 81 81 SER HA H 4.443 . 1
696 81 81 SER HB2 H 3.814 . 2
697 81 81 SER CA C 57.897 . 1
698 81 81 SER CB C 63.752 . 1
699 81 81 SER N N 116.988 . 1
700 82 82 THR H H 8.130 . 1
701 82 82 THR HA H 4.315 . 1
702 82 82 THR HB H 4.247 . 1
703 82 82 THR HG2 H 1.123 . 1
704 82 82 THR CA C 61.364 . 1
705 82 82 THR CB C 69.370 . 1
706 82 82 THR CG2 C 21.437 . 1
707 82 82 THR N N 115.061 . 1
708 83 83 ASP H H 8.299 . 1
709 83 83 ASP HA H 4.642 . 1
710 83 83 ASP HB2 H 2.633 . 2
711 83 83 ASP CA C 54.436 . 1
712 83 83 ASP CB C 41.093 . 1
713 83 83 ASP N N 122.889 . 1
714 112 112 ALA HA H 3.818 . 1
715 112 112 ALA HB H 1.268 . 1
716 112 112 ALA CA C 52.576 . 1
717 112 112 ALA CB C 19.330 . 1
718 113 113 LYS H H 8.163 . 1
719 113 113 LYS CA C 56.098 . 1
720 113 113 LYS CB C 33.823 . 1
721 113 113 LYS CG C 24.745 . 1
722 113 113 LYS CD C 29.139 . 1
723 113 113 LYS CE C 42.122 . 1
724 113 113 LYS N N 120.542 . 1
725 114 114 PHE H H 8.270 . 1
726 114 114 PHE HA H 4.542 . 1
727 114 114 PHE HB2 H 3.090 . 2
728 114 114 PHE HB3 H 2.970 . 2
729 114 114 PHE HD1 H 7.184 . 3
730 114 114 PHE CA C 58.097 . 1
731 114 114 PHE CB C 39.580 . 1
732 114 114 PHE N N 121.385 . 1
733 115 115 GLY H H 8.426 . 1
734 115 115 GLY HA2 H 3.811 . 2
735 115 115 GLY CA C 45.182 . 1
736 115 115 GLY N N 111.027 . 1
737 116 116 GLU H H 8.144 . 1
738 116 116 GLU HA H 4.269 . 1
739 116 116 GLU HB2 H 1.938 . 2
740 116 116 GLU HG2 H 2.176 . 2
741 116 116 GLU CA C 56.454 . 1
742 116 116 GLU CB C 30.506 . 1
743 116 116 GLU CG C 36.292 . 1
744 116 116 GLU N N 120.301 . 1
745 117 117 SER H H 8.307 . 1
746 117 117 SER HA H 4.362 . 1
747 117 117 SER HB2 H 3.713 . 2
748 117 117 SER CA C 58.159 . 1
749 117 117 SER CB C 64.151 . 1
750 117 117 SER N N 116.447 . 1
751 118 118 GLU H H 8.358 . 1
752 118 118 GLU HA H 4.179 . 1
753 118 118 GLU HB2 H 1.787 . 2
754 118 118 GLU HG2 H 2.115 . 2
755 118 118 GLU CA C 56.209 . 1
756 118 118 GLU CB C 30.645 . 1
757 118 118 GLU CG C 36.723 . 1
758 118 118 GLU N N 122.469 . 1
759 119 119 LYS H H 8.070 . 1
760 119 119 LYS HA H 4.097 . 1
761 119 119 LYS HB2 H 1.430 . 2
762 119 119 LYS HB3 H 1.137 . 2
763 119 119 LYS HG2 H 1.100 . 2
764 119 119 LYS HD2 H 1.380 . 2
765 119 119 LYS HE2 H 2.841 . 2
766 119 119 LYS CA C 54.235 . 1
767 119 119 LYS CB C 33.795 . 1
768 119 119 LYS CG C 24.665 . 1
769 119 119 LYS CD C 28.613 . 1
770 119 119 LYS CE C 42.264 . 1
771 119 119 LYS N N 120.421 . 1
772 120 120 CYS H H 7.864 . 1
773 120 120 CYS HA H 4.704 . 1
774 120 120 CYS HB2 H 3.324 . 2
775 120 120 CYS HB3 H 2.285 . 2
776 120 120 CYS CA C 55.874 . 1
777 120 120 CYS CB C 31.804 . 1
778 120 120 CYS N N 127.045 . 1
779 121 121 PRO HA H 3.976 . 1
780 121 121 PRO HB2 H 1.989 . 2
781 121 121 PRO HB3 H 1.149 . 2
782 121 121 PRO HG2 H 0.673 . 2
783 121 121 PRO HD2 H 3.780 . 2
784 121 121 PRO HD3 H 2.133 . 2
785 121 121 PRO CA C 63.903 . 1
786 121 121 PRO CB C 32.667 . 1
787 121 121 PRO CG C 27.576 . 1
788 121 121 PRO CD C 51.483 . 1
789 122 122 ARG H H 8.059 . 1
790 122 122 ARG HA H 4.418 . 1
791 122 122 ARG HB2 H 2.290 . 2
792 122 122 ARG HG2 H 1.983 . 2
793 122 122 ARG HG3 H 1.744 . 2
794 122 122 ARG HD2 H 3.468 . 2
795 122 122 ARG CA C 57.117 . 1
796 122 122 ARG CB C 30.324 . 1
797 122 122 ARG CG C 26.392 . 1
798 122 122 ARG CD C 41.831 . 1
799 122 122 ARG N N 118.012 . 1
800 123 123 CYS H H 7.513 . 1
801 123 123 CYS HA H 4.934 . 1
802 123 123 CYS HB2 H 3.170 . 2
803 123 123 CYS HB3 H 2.824 . 2
804 123 123 CYS CA C 57.392 . 1
805 123 123 CYS CB C 32.103 . 1
806 123 123 CYS N N 113.797 . 1
807 124 124 GLY H H 8.238 . 1
808 124 124 GLY HA2 H 4.019 . 2
809 124 124 GLY HA3 H 3.750 . 2
810 124 124 GLY CA C 46.500 . 1
811 124 124 GLY N N 113.436 . 1
812 125 125 LYS H H 8.297 . 1
813 125 125 LYS HA H 4.679 . 1
814 125 125 LYS HB2 H 2.010 . 2
815 125 125 LYS HG2 H 1.402 . 2
816 125 125 LYS HD2 H 1.599 . 2
817 125 125 LYS HE2 H 2.942 . 2
818 125 125 LYS CA C 54.985 . 1
819 125 125 LYS CB C 34.467 . 1
820 125 125 LYS CG C 25.427 . 1
821 125 125 LYS CD C 28.921 . 1
822 125 125 LYS CE C 42.351 . 1
823 125 125 LYS N N 120.060 . 1
824 126 126 SER H H 8.650 . 1
825 126 126 SER HA H 4.267 . 1
826 126 126 SER HB2 H 3.550 . 2
827 126 126 SER HB3 H 3.460 . 2
828 126 126 SER CA C 59.779 . 1
829 126 126 SER CB C 63.987 . 1
830 126 126 SER N N 116.928 . 1
831 127 127 VAL H H 8.464 . 1
832 127 127 VAL HA H 3.928 . 1
833 127 127 VAL HB H 1.289 . 1
834 127 127 VAL HG1 H 0.396 . 2
835 127 127 VAL HG2 H 0.082 . 2
836 127 127 VAL CA C 60.977 . 1
837 127 127 VAL CB C 32.920 . 1
838 127 127 VAL CG1 C 20.802 . 2
839 127 127 VAL CG2 C 20.700 . 2
840 127 127 VAL N N 124.757 . 1
841 128 128 TYR H H 9.000 . 1
842 128 128 TYR HA H 4.628 . 1
843 128 128 TYR HB2 H 3.240 . 2
844 128 128 TYR HB3 H 2.849 . 2
845 128 128 TYR HD1 H 7.200 . 3
846 128 128 TYR HE1 H 6.789 . 3
847 128 128 TYR CA C 57.410 . 1
848 128 128 TYR CB C 38.568 . 1
849 128 128 TYR CD1 C 133.089 . 3
850 128 128 TYR CE1 C 118.089 . 3
851 128 128 TYR N N 128.731 . 1
852 129 129 ALA H H 8.555 . 1
853 129 129 ALA HA H 3.790 . 1
854 129 129 ALA HB H 1.396 . 1
855 129 129 ALA CA C 56.010 . 1
856 129 129 ALA CB C 18.688 . 1
857 129 129 ALA N N 123.793 . 1
858 130 130 ALA H H 8.335 . 1
859 130 130 ALA HA H 4.166 . 1
860 130 130 ALA HB H 1.419 . 1
861 130 130 ALA CA C 54.075 . 1
862 130 130 ALA CB C 18.875 . 1
863 130 130 ALA N N 117.049 . 1
864 131 131 GLU H H 7.709 . 1
865 131 131 GLU HA H 4.510 . 1
866 131 131 GLU HB2 H 2.479 . 2
867 131 131 GLU HB3 H 2.235 . 2
868 131 131 GLU HG2 H 2.360 . 2
869 131 131 GLU CA C 55.600 . 1
870 131 131 GLU CB C 31.194 . 1
871 131 131 GLU CG C 36.754 . 1
872 131 131 GLU N N 114.760 . 1
873 132 132 LYS H H 7.102 . 1
874 132 132 LYS HA H 4.321 . 1
875 132 132 LYS HB2 H 1.699 . 2
876 132 132 LYS HB3 H 1.497 . 2
877 132 132 LYS HG2 H 1.088 . 2
878 132 132 LYS HD2 H 1.546 . 2
879 132 132 LYS HE2 H 2.717 . 2
880 132 132 LYS CA C 57.162 . 1
881 132 132 LYS CB C 34.543 . 1
882 132 132 LYS CG C 24.428 . 1
883 132 132 LYS CD C 29.887 . 1
884 132 132 LYS CE C 41.815 . 1
885 132 132 LYS N N 120.542 . 1
886 133 133 VAL H H 8.995 . 1
887 133 133 VAL HA H 4.156 . 1
888 133 133 VAL HB H 1.561 . 1
889 133 133 VAL HG1 H 0.511 . 2
890 133 133 VAL HG2 H 0.330 . 2
891 133 133 VAL CA C 60.481 . 1
892 133 133 VAL CB C 34.526 . 1
893 133 133 VAL CG1 C 20.503 . 1
894 133 133 VAL CG2 C 20.503 . 1
895 133 133 VAL N N 124.757 . 1
896 134 134 MET H H 8.177 . 1
897 134 134 MET HA H 5.340 . 1
898 134 134 MET HB2 H 1.867 . 2
899 134 134 MET HG2 H 2.605 . 2
900 134 134 MET HG3 H 2.303 . 2
901 134 134 MET HE H 1.687 . 1
902 134 134 MET CA C 52.848 . 1
903 134 134 MET CB C 30.667 . 1
904 134 134 MET CG C 31.476 . 1
905 134 134 MET CE C 14.776 . 1
906 134 134 MET N N 122.348 . 1
907 135 135 GLY H H 9.068 . 1
908 135 135 GLY HA2 H 4.296 . 2
909 135 135 GLY HA3 H 3.318 . 2
910 135 135 GLY CA C 45.903 . 1
911 135 135 GLY N N 108.979 . 1
912 137 137 GLY HA2 H 4.117 . 2
913 137 137 GLY HA3 H 3.570 . 2
914 137 137 GLY CA C 44.946 . 1
915 138 138 LYS H H 7.758 . 1
916 138 138 LYS HA H 4.260 . 1
917 138 138 LYS CA C 52.733 . 1
918 138 138 LYS CB C 34.327 . 1
919 138 138 LYS N N 120.542 . 1
920 139 139 PRO HA H 4.981 . 1
921 139 139 PRO HB2 H 1.753 . 2
922 139 139 PRO HB3 H 1.355 . 2
923 139 139 PRO HG2 H 1.959 . 2
924 139 139 PRO HG3 H 1.788 . 2
925 139 139 PRO HD2 H 3.498 . 2
926 139 139 PRO CA C 62.121 . 1
927 139 139 PRO CB C 32.536 . 1
928 139 139 PRO CG C 26.654 . 1
929 139 139 PRO CD C 49.584 . 1
930 140 140 TRP H H 8.744 . 1
931 140 140 TRP HA H 5.063 . 1
932 140 140 TRP HB2 H 3.233 . 2
933 140 140 TRP HB3 H 2.682 . 2
934 140 140 TRP HD1 H 7.615 . 1
935 140 140 TRP HE1 H 9.910 . 1
936 140 140 TRP HE3 H 7.389 . 1
937 140 140 TRP HZ2 H 7.280 . 1
938 140 140 TRP HZ3 H 7.070 . 1
939 140 140 TRP HH2 H 7.240 . 1
940 140 140 TRP CA C 54.689 . 1
941 140 140 TRP CB C 31.908 . 1
942 140 140 TRP CD1 C 128.850 . 1
943 140 140 TRP CE3 C 119.790 . 1
944 140 140 TRP CZ2 C 114.450 . 1
945 140 140 TRP CZ3 C 122.390 . 1
946 140 140 TRP CH2 C 124.290 . 1
947 140 140 TRP N N 117.049 . 1
948 140 140 TRP NE1 N 130.159 . 1
949 141 141 HIS H H 7.768 . 1
950 141 141 HIS HA H 4.661 . 1
951 141 141 HIS HB2 H 3.613 . 2
952 141 141 HIS HD2 H 7.372 . 1
953 141 141 HIS HE1 H 7.285 . 1
954 141 141 HIS CA C 59.255 . 1
955 141 141 HIS CB C 30.841 . 1
956 141 141 HIS CD2 C 118.120 . 1
957 141 141 HIS CE1 C 139.020 . 1
958 141 141 HIS N N 116.808 . 1
959 142 142 LYS H H 9.276 . 1
960 142 142 LYS HA H 3.966 . 1
961 142 142 LYS HB2 H 1.857 . 2
962 142 142 LYS HG2 H 1.407 . 2
963 142 142 LYS HE2 H 2.900 . 2
964 142 142 LYS CA C 60.818 . 1
965 142 142 LYS CB C 32.204 . 1
966 142 142 LYS N N 126.443 . 1
967 143 143 THR HA H 4.107 . 1
968 143 143 THR HB H 4.347 . 1
969 143 143 THR HG2 H 1.265 . 1
970 143 143 THR CA C 63.746 . 1
971 143 143 THR CB C 68.803 . 1
972 143 143 THR CG2 C 22.425 . 1
973 144 144 CYS H H 7.506 . 1
974 144 144 CYS HA H 4.352 . 1
975 144 144 CYS HB2 H 3.342 . 2
976 144 144 CYS CA C 60.906 . 1
977 144 144 CYS CB C 31.953 . 1
978 144 144 CYS N N 119.458 . 1
979 145 145 PHE H H 7.381 . 1
980 145 145 PHE HA H 4.102 . 1
981 145 145 PHE HB2 H 3.234 . 2
982 145 145 PHE HB3 H 2.557 . 2
983 145 145 PHE HD1 H 6.398 . 3
984 145 145 PHE HE1 H 6.360 . 3
985 145 145 PHE HZ H 6.751 . 1
986 145 145 PHE CA C 57.270 . 1
987 145 145 PHE CB C 36.954 . 1
988 145 145 PHE CD1 C 132.520 . 3
989 145 145 PHE CE1 C 130.830 . 3
990 145 145 PHE CZ C 128.850 . 1
991 145 145 PHE N N 123.914 . 1
992 146 146 ARG H H 7.499 . 1
993 146 146 ARG HA H 4.800 . 1
994 146 146 ARG HB2 H 1.290 . 2
995 146 146 ARG HB3 H 1.154 . 2
996 146 146 ARG HG2 H 1.230 . 2
997 146 146 ARG HD2 H 3.072 . 2
998 146 146 ARG CA C 53.189 . 1
999 146 146 ARG CB C 34.971 . 1
1000 146 146 ARG CG C 27.379 . 1
1001 146 146 ARG CD C 43.594 . 1
1002 146 146 ARG N N 121.866 . 1
1003 147 147 CYS H H 8.458 . 1
1004 147 147 CYS HA H 3.700 . 1
1005 147 147 CYS HB2 H 3.236 . 2
1006 147 147 CYS HB3 H 2.671 . 2
1007 147 147 CYS CA C 59.547 . 1
1008 147 147 CYS CB C 31.232 . 1
1009 147 147 CYS N N 122.950 . 1
1010 148 148 ALA H H 9.050 . 1
1011 148 148 ALA HA H 3.908 . 1
1012 148 148 ALA HB H 1.229 . 1
1013 148 148 ALA CA C 54.790 . 1
1014 148 148 ALA CB C 18.926 . 1
1015 148 148 ALA N N 133.308 . 1
1016 149 149 ILE H H 8.957 . 1
1017 149 149 ILE HA H 4.219 . 1
1018 149 149 ILE HB H 2.470 . 1
1019 149 149 ILE HG12 H 1.644 . 9
1020 149 149 ILE HG13 H 1.339 . 9
1021 149 149 ILE HG2 H 0.896 . 2
1022 149 149 ILE HD1 H 0.828 . 1
1023 149 149 ILE CA C 62.704 . 1
1024 149 149 ILE CB C 37.946 . 1
1025 149 149 ILE CG1 C 28.112 . 1
1026 149 149 ILE CG2 C 17.732 . 1
1027 149 149 ILE CD1 C 12.121 . 1
1028 149 149 ILE N N 118.735 . 1
1029 150 150 CYS H H 8.347 . 1
1030 150 150 CYS HA H 4.775 . 1
1031 150 150 CYS HB2 H 3.202 . 2
1032 150 150 CYS HB3 H 2.638 . 2
1033 150 150 CYS CA C 59.275 . 1
1034 150 150 CYS CB C 32.294 . 1
1035 150 150 CYS N N 118.735 . 1
1036 151 151 GLY H H 7.595 . 1
1037 151 151 GLY HA2 H 4.111 . 2
1038 151 151 GLY HA3 H 3.774 . 2
1039 151 151 GLY CA C 46.257 . 1
1040 151 151 GLY N N 111.509 . 1
1041 152 152 LYS H H 8.490 . 1
1042 152 152 LYS HA H 4.188 . 1
1043 152 152 LYS HB2 H 1.973 . 2
1044 152 152 LYS HG2 H 1.421 . 2
1045 152 152 LYS HD2 H 1.656 . 2
1046 152 152 LYS HE2 H 3.028 . 2
1047 152 152 LYS CA C 57.298 . 1
1048 152 152 LYS CB C 33.893 . 1
1049 152 152 LYS CG C 24.827 . 1
1050 152 152 LYS CD C 29.586 . 1
1051 152 152 LYS CE C 41.957 . 1
1052 152 152 LYS N N 123.552 . 1
1053 153 153 SER H H 8.655 . 1
1054 153 153 SER HA H 4.187 . 1
1055 153 153 SER HB2 H 3.867 . 2
1056 153 153 SER CA C 59.810 . 1
1057 153 153 SER CB C 63.266 . 1
1058 153 153 SER N N 118.374 . 1
1059 154 154 LEU H H 7.731 . 1
1060 154 154 LEU HA H 4.379 . 1
1061 154 154 LEU HB2 H 0.810 . 2
1062 154 154 LEU HB3 H 0.538 . 2
1063 154 154 LEU HG H 1.142 . 1
1064 154 154 LEU HD1 H -0.160 . 2
1065 154 154 LEU HD2 H 0.468 . 2
1066 154 154 LEU CA C 54.000 . 1
1067 154 154 LEU CB C 42.405 . 1
1068 154 154 LEU CG C 26.600 . 1
1069 154 154 LEU CD1 C 26.600 . 1
1070 154 154 LEU CD2 C 22.450 . 2
1071 154 154 LEU N N 125.479 . 1
1072 155 155 GLU H H 8.367 . 1
1073 155 155 GLU HA H 4.570 . 1
1074 155 155 GLU HB2 H 2.213 . 2
1075 155 155 GLU HB3 H 1.890 . 2
1076 155 155 GLU CA C 55.326 . 1
1077 155 155 GLU CB C 32.002 . 1
1078 155 155 GLU N N 118.253 . 1
1079 156 156 SER CA C 61.627 . 1
1080 156 156 SER CB C 62.962 . 1
1081 157 157 THR H H 7.449 . 1
1082 157 157 THR HB H 4.317 . 1
1083 157 157 THR HG2 H 1.159 . 1
1084 157 157 THR CA C 54.479 . 1
1085 157 157 THR CB C 69.499 . 1
1086 157 157 THR CG2 C 21.736 . 1
1087 157 157 THR N N 108.739 . 1
1088 158 158 ASN H H 7.942 . 1
1089 158 158 ASN HA H 4.853 . 1
1090 158 158 ASN HB2 H 2.896 . 2
1091 158 158 ASN HB3 H 2.756 . 2
1092 158 158 ASN HD21 H 7.533 . 2
1093 158 158 ASN HD22 H 6.870 . 2
1094 158 158 ASN CA C 52.620 . 1
1095 158 158 ASN CB C 39.358 . 1
1096 158 158 ASN N N 119.939 . 1
1097 158 158 ASN ND2 N 110.106 . 1
1098 159 159 VAL H H 7.606 . 1
1099 159 159 VAL HA H 4.282 . 1
1100 159 159 VAL HB H 1.900 . 1
1101 159 159 VAL HG1 H 0.673 . 2
1102 159 159 VAL HG2 H 0.837 . 2
1103 159 159 VAL CA C 58.483 . 1
1104 159 159 VAL CB C 33.142 . 1
1105 159 159 VAL CG1 C 23.444 . 2
1106 159 159 VAL CG2 C 20.160 . 2
1107 159 159 VAL N N 118.976 . 1
1108 160 160 THR H H 8.465 . 1
1109 160 160 THR HA H 4.348 . 1
1110 160 160 THR HB H 3.436 . 1
1111 160 160 THR HG2 H 0.451 . 1
1112 160 160 THR CA C 61.821 . 1
1113 160 160 THR CB C 70.832 . 1
1114 160 160 THR CG2 C 21.785 . 1
1115 160 160 THR N N 122.348 . 1
1116 161 161 ASP H H 8.247 . 1
1117 161 161 ASP HA H 5.526 . 1
1118 161 161 ASP HB2 H 2.355 . 2
1119 161 161 ASP CA C 52.735 . 1
1120 161 161 ASP CB C 43.838 . 1
1121 161 161 ASP N N 122.589 . 1
1122 162 162 LYS H H 8.924 . 1
1123 162 162 LYS HA H 4.389 . 1
1124 162 162 LYS HB2 H 1.615 . 2
1125 162 162 LYS CA C 56.553 . 1
1126 162 162 LYS CB C 34.910 . 1
1127 162 162 LYS N N 121.866 . 1
1128 163 163 ASP HA H 4.336 . 1
1129 163 163 ASP HB2 H 2.947 . 2
1130 163 163 ASP HB3 H 2.619 . 2
1131 163 163 ASP CA C 55.641 . 1
1132 163 163 ASP CB C 40.035 . 1
1133 164 164 GLY H H 9.017 . 1
1134 164 164 GLY HA2 H 4.220 . 2
1135 164 164 GLY HA3 H 3.732 . 2
1136 164 164 GLY CA C 45.574 . 1
1137 164 164 GLY N N 105.728 . 1
1138 165 165 GLU H H 7.828 . 1
1139 165 165 GLU HA H 4.803 . 1
1140 165 165 GLU HB2 H 1.886 . 2
1141 165 165 GLU HG2 H 2.153 . 2
1142 165 165 GLU CA C 53.924 . 1
1143 165 165 GLU CB C 32.696 . 1
1144 165 165 GLU CG C 36.446 . 1
1145 165 165 GLU N N 121.264 . 1
1146 166 166 LEU H H 8.467 . 1
1147 166 166 LEU HA H 4.547 . 1
1148 166 166 LEU HB2 H 1.140 . 2
1149 166 166 LEU HB3 H 0.479 . 2
1150 166 166 LEU HG H -0.515 . 1
1151 166 166 LEU HD1 H 1.030 . 2
1152 166 166 LEU HD2 H 0.159 . 2
1153 166 166 LEU CA C 53.582 . 1
1154 166 166 LEU CB C 43.731 . 1
1155 166 166 LEU CG C 25.765 . 1
1156 166 166 LEU CD1 C 25.838 . 2
1157 166 166 LEU CD2 C 21.523 . 2
1158 166 166 LEU N N 121.023 . 1
1159 167 167 TYR H H 8.146 . 1
1160 167 167 TYR HA H 5.608 . 1
1161 167 167 TYR HB2 H 3.261 . 2
1162 167 167 TYR HB3 H 2.742 . 2
1163 167 167 TYR HD1 H 7.040 . 3
1164 167 167 TYR HE1 H 6.767 . 3
1165 167 167 TYR CA C 55.914 . 1
1166 167 167 TYR CB C 43.776 . 1
1167 167 167 TYR CD1 C 133.369 . 3
1168 167 167 TYR CE1 C 118.089 . 3
1169 167 167 TYR N N 116.206 . 1
1170 168 168 CYS H H 9.653 . 1
1171 168 168 CYS HA H 5.022 . 1
1172 168 168 CYS HB2 H 3.469 . 2
1173 168 168 CYS HB3 H 2.728 . 2
1174 168 168 CYS CA C 57.418 . 1
1175 168 168 CYS CB C 31.026 . 1
1176 168 168 CYS N N 121.144 . 1
1177 169 169 LYS H H 8.242 . 1
1178 169 169 LYS HA H 3.911 . 1
1179 169 169 LYS HB2 H 1.851 . 2
1180 169 169 LYS HG2 H 1.420 . 2
1181 169 169 LYS HD2 H 1.640 . 2
1182 169 169 LYS HE2 H 2.884 . 2
1183 169 169 LYS CA C 60.135 . 1
1184 169 169 LYS CB C 32.771 . 1
1185 169 169 LYS CG C 25.709 . 1
1186 169 169 LYS CD C 29.467 . 1
1187 169 169 LYS CE C 42.180 . 1
1188 169 169 LYS N N 119.458 . 1
1189 170 170 VAL H H 7.774 . 1
1190 170 170 VAL HA H 3.749 . 1
1191 170 170 VAL HB H 2.277 . 1
1192 170 170 VAL HG1 H 1.073 . 2
1193 170 170 VAL HG2 H 0.930 . 2
1194 170 170 VAL CA C 66.083 . 1
1195 170 170 VAL CB C 32.341 . 1
1196 170 170 VAL CG1 C 22.729 . 2
1197 170 170 VAL CG2 C 21.566 . 2
1198 170 170 VAL N N 121.144 . 1
1199 171 171 CYS H H 8.998 . 1
1200 171 171 CYS HA H 3.847 . 1
1201 171 171 CYS HB2 H 3.110 . 2
1202 171 171 CYS HB3 H 2.874 . 2
1203 171 171 CYS CA C 65.022 . 1
1204 171 171 CYS CB C 30.051 . 1
1205 171 171 CYS N N 124.757 . 1
1206 172 172 TYR H H 8.982 . 1
1207 172 172 TYR HA H 3.740 . 1
1208 172 172 TYR HB2 H 3.014 . 2
1209 172 172 TYR HD1 H 6.742 . 3
1210 172 172 TYR HE1 H 6.420 . 3
1211 172 172 TYR CA C 62.217 . 1
1212 172 172 TYR CB C 38.681 . 1
1213 172 172 TYR CD1 C 133.369 . 3
1214 172 172 TYR CE1 C 118.389 . 3
1215 172 172 TYR N N 120.542 . 1
1216 173 173 ALA H H 7.771 . 1
1217 173 173 ALA HA H 4.010 . 1
1218 173 173 ALA HB H 1.499 . 1
1219 173 173 ALA CA C 54.669 . 1
1220 173 173 ALA CB C 18.174 . 1
1221 173 173 ALA N N 120.542 . 1
1222 174 174 LYS H H 7.639 . 1
1223 174 174 LYS HA H 3.930 . 1
1224 174 174 LYS HB2 H 1.733 . 2
1225 174 174 LYS HG2 H 1.410 . 2
1226 174 174 LYS HD2 H 1.640 . 2
1227 174 174 LYS HE2 H 2.837 . 2
1228 174 174 LYS CA C 58.356 . 1
1229 174 174 LYS CB C 33.012 . 1
1230 174 174 LYS CG C 25.077 . 1
1231 174 174 LYS CD C 29.507 . 1
1232 174 174 LYS CE C 42.017 . 1
1233 174 174 LYS N N 115.483 . 1
1234 175 175 ASN H H 7.405 . 1
1235 175 175 ASN HA H 4.217 . 1
1236 175 175 ASN HB2 H 1.652 . 2
1237 175 175 ASN HB3 H 1.220 . 2
1238 175 175 ASN HD21 H 7.115 . 2
1239 175 175 ASN HD22 H 7.016 . 2
1240 175 175 ASN CA C 54.788 . 1
1241 175 175 ASN CB C 40.051 . 1
1242 175 175 ASN N N 114.279 . 1
1243 175 175 ASN ND2 N 113.889 . 1
1244 176 176 PHE H H 8.045 . 1
1245 176 176 PHE HA H 4.612 . 1
1246 176 176 PHE HB2 H 2.795 . 2
1247 176 176 PHE HB3 H 1.613 . 2
1248 176 176 PHE HD1 H 6.544 . 3
1249 176 176 PHE HE1 H 6.420 . 3
1250 176 176 PHE HZ H 6.943 . 1
1251 176 176 PHE CA C 56.975 . 1
1252 176 176 PHE CB C 39.211 . 1
1253 176 176 PHE CD1 C 132.240 . 3
1254 176 176 PHE CE1 C 130.446 . 3
1255 176 176 PHE CZ C 129.416 . 1
1256 176 176 PHE N N 116.326 . 1
1257 177 177 GLY H H 7.479 . 1
1258 177 177 GLY HA2 H 4.090 . 2
1259 177 177 GLY CA C 44.803 . 1
1260 177 177 GLY N N 108.618 . 1
1261 178 178 PRO HA H 4.367 . 1
1262 178 178 PRO HB2 H 2.230 . 2
1263 178 178 PRO HB3 H 1.900 . 2
1264 178 178 PRO HG2 H 1.980 . 2
1265 178 178 PRO HD2 H 3.598 . 2
1266 178 178 PRO CA C 63.374 . 1
1267 178 178 PRO CB C 32.251 . 1
1268 178 178 PRO CG C 27.370 . 1
1269 178 178 PRO CD C 49.797 . 1
1270 179 179 THR H H 8.178 . 1
1271 179 179 THR HB H 4.222 . 1
1272 179 179 THR HG2 H 1.119 . 1
1273 179 179 THR CA C 61.628 . 1
1274 179 179 THR CB C 69.719 . 1
1275 179 179 THR CG2 C 21.637 . 1
1276 179 179 THR N N 111.990 . 1
1277 180 180 GLY H H 8.189 . 1
1278 180 180 GLY HA2 H 3.879 . 2
1279 180 180 GLY CA C 45.436 . 1
1280 180 180 GLY N N 110.786 . 1
1281 181 181 ILE H H 7.934 . 1
1282 181 181 ILE HA H 4.100 . 1
1283 181 181 ILE HB H 1.800 . 1
1284 181 181 ILE HG12 H 1.341 . 9
1285 181 181 ILE HG13 H 1.078 . 9
1286 181 181 ILE HG2 H 0.827 . 2
1287 181 181 ILE HD1 H 0.787 . 1
1288 181 181 ILE CA C 61.411 . 1
1289 181 181 ILE CB C 38.692 . 1
1290 181 181 ILE CG1 C 27.161 . 1
1291 181 181 ILE CG2 C 17.533 . 1
1292 181 181 ILE CD1 C 13.221 . 1
1293 181 181 ILE N N 119.337 . 1
1294 182 182 GLY H H 8.411 . 1
1295 182 182 GLY CA C 45.037 . 1
1296 182 182 GLY N N 112.231 . 1
1297 184 184 GLY HA2 H 3.833 . 2
1298 184 184 GLY CA C 45.497 . 1
1299 185 185 GLY H H 7.896 . 1
1300 185 185 GLY HA2 H 3.867 . 2
1301 185 185 GLY CA C 45.246 . 1
1302 185 185 GLY N N 108.257 . 1
1303 186 186 LEU H H 8.125 . 1
1304 186 186 LEU HA H 4.362 . 1
1305 186 186 LEU HB2 H 1.600 . 2
1306 186 186 LEU HG H 1.620 . 1
1307 186 186 LEU HD1 H 0.880 . 2
1308 186 186 LEU HD2 H 0.830 . 2
1309 186 186 LEU CA C 55.351 . 1
1310 186 186 LEU CB C 42.445 . 1
1311 186 186 LEU CG C 27.061 . 1
1312 186 186 LEU CD1 C 25.018 . 2
1313 186 186 LEU CD2 C 23.436 . 2
1314 186 186 LEU N N 121.505 . 1
1315 187 187 THR H H 8.134 . 1
1316 187 187 THR HA H 4.330 . 1
1317 187 187 THR HB H 4.137 . 1
1318 187 187 THR HG2 H 1.124 . 1
1319 187 187 THR CA C 61.958 . 1
1320 187 187 THR CB C 69.740 . 1
1321 187 187 THR CG2 C 21.785 . 1
1322 187 187 THR N N 114.881 . 1
1323 188 188 GLN H H 8.330 . 1
1324 188 188 GLN HA H 4.294 . 1
1325 188 188 GLN HB2 H 2.022 . 2
1326 188 188 GLN HB3 H 1.903 . 2
1327 188 188 GLN HG2 H 2.270 . 2
1328 188 188 GLN HE21 H 7.500 . 2
1329 188 188 GLN HE22 H 6.800 . 2
1330 188 188 GLN CA C 55.752 . 1
1331 188 188 GLN CB C 29.629 . 1
1332 188 188 GLN CG C 33.812 . 1
1333 188 188 GLN N N 122.469 . 1
1334 188 188 GLN NE2 N 112.600 . 1
1335 189 189 GLN H H 8.442 . 1
1336 189 189 GLN HA H 4.292 . 1
1337 189 189 GLN HB2 H 2.030 . 2
1338 189 189 GLN HB3 H 1.909 . 2
1339 189 189 GLN HG2 H 2.280 . 2
1340 189 189 GLN HE21 H 7.500 . 2
1341 189 189 GLN CA C 55.734 . 1
1342 189 189 GLN CB C 29.553 . 1
1343 189 189 GLN CG C 33.807 . 1
1344 189 189 GLN N N 122.228 . 1
1345 189 189 GLN NE2 N 112.600 . 1
1346 190 190 VAL H H 8.196 . 1
1347 190 190 VAL HA H 4.047 . 1
1348 190 190 VAL HB H 1.995 . 1
1349 190 190 VAL HG1 H 0.861 . 2
1350 190 190 VAL CA C 62.231 . 1
1351 190 190 VAL CB C 32.905 . 1
1352 190 190 VAL CG1 C 20.942 . 1
1353 190 190 VAL N N 121.987 . 1
1354 191 191 GLU H H 8.466 . 1
1355 191 191 GLU HA H 4.212 . 1
1356 191 191 GLU HB2 H 1.895 . 2
1357 191 191 GLU HG2 H 2.171 . 2
1358 191 191 GLU CA C 56.356 . 1
1359 191 191 GLU CB C 30.530 . 1
1360 191 191 GLU CG C 36.254 . 1
1361 191 191 GLU N N 125.118 . 1
1362 192 192 LYS H H 8.399 . 1
1363 192 192 LYS HA H 4.310 . 1
1364 192 192 LYS HB2 H 1.767 . 2
1365 192 192 LYS HG2 H 1.365 . 2
1366 192 192 LYS HD2 H 1.614 . 2
1367 192 192 LYS HE2 H 2.928 . 2
1368 192 192 LYS CA C 56.066 . 1
1369 192 192 LYS CB C 33.113 . 1
1370 192 192 LYS CG C 24.678 . 1
1371 192 192 LYS CD C 29.118 . 1
1372 192 192 LYS CE C 42.174 . 1
1373 192 192 LYS N N 124.034 . 1
1374 193 193 LYS H H 8.005 . 1
1375 193 193 LYS CA C 57.902 . 1
1376 193 193 LYS N N 127.404 . 1
stop_
save_