data_16983
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The solution structure of the PHD3 finger of MLL
;
_BMRB_accession_number 16983
_BMRB_flat_file_name bmr16983.str
_Entry_type original
_Submission_date 2010-06-08
_Accession_date 2010-06-08
_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 Park Sangho . .
2 Bushweller John H. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 383
"13C chemical shifts" 262
"15N chemical shifts" 67
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-08-12 original author .
stop_
_Original_release_date 2010-08-12
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The PHD3 Domain of MLL Acts as a CYP33-Regulated Switch between MLL-Mediated Activation and Repression .'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 20677832
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Park Sangho . .
2 Osmers Ute . .
3 Raman Gayathree . .
4 Schwantes Rebecca H. .
5 Diaz Manuel O. .
6 Bushweller John H. .
stop_
_Journal_abbreviation Biochemistry
_Journal_name_full Biochemistry
_Journal_volume 49
_Journal_issue 31
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 6576
_Page_last 6586
_Year 2010
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'PHD3 finger of MLL'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
PHD3 $PHD3
'ZINC ION_1' $ZN
'ZINC ION_2' $ZN
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_PHD3
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PHD3
_Molecular_mass 7719.658
_Mol_thiol_state 'free and other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 67
_Mol_residue_sequence
;
GSAKGNFCPLCDKCYDDDDY
ESKMMQCGKCDRWVHSKCEN
LSDEMYEILSNLPESVAYTC
VNCTERH
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 ALA 4 LYS 5 GLY
6 ASN 7 PHE 8 CYS 9 PRO 10 LEU
11 CYS 12 ASP 13 LYS 14 CYS 15 TYR
16 ASP 17 ASP 18 ASP 19 ASP 20 TYR
21 GLU 22 SER 23 LYS 24 MET 25 MET
26 GLN 27 CYS 28 GLY 29 LYS 30 CYS
31 ASP 32 ARG 33 TRP 34 VAL 35 HIS
36 SER 37 LYS 38 CYS 39 GLU 40 ASN
41 LEU 42 SER 43 ASP 44 GLU 45 MET
46 TYR 47 GLU 48 ILE 49 LEU 50 SER
51 ASN 52 LEU 53 PRO 54 GLU 55 SER
56 VAL 57 ALA 58 TYR 59 THR 60 CYS
61 VAL 62 ASN 63 CYS 64 THR 65 GLU
66 ARG 67 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-30
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 2KU7 "Solution Structure Of Mll1 Phd3-Cyp33 Rrm Chimeric Protein" 65.67 140 100.00 100.00 8.69e-24
PDB 2KYU "The Solution Structure Of The Phd3 Finger Of Mll" 100.00 67 100.00 100.00 4.01e-41
PDB 3LQH "Crystal Structure Of Mll1 Phd3-Bromo In The Free Form" 94.03 183 100.00 100.00 2.85e-39
PDB 3LQI "Crystal Structure Of Mll1 Phd3-Bromo Complexed With H3(1-9)k4me2 Peptide" 94.03 183 100.00 100.00 2.85e-39
PDB 3LQJ "Crystal Structure Of Mll1 Phd3-Bromo Complexed With H3(1-9)k4me3 Peptide" 94.03 183 100.00 100.00 2.85e-39
DBJ BAA03407 "MLL [Homo sapiens]" 97.01 1909 100.00 100.00 5.84e-40
DBJ BAD92745 "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) variant [Homo sapiens]" 97.01 2880 100.00 100.00 1.67e-38
EMBL CAA58584 "ALL-1 protein [Homo sapiens]" 59.70 395 100.00 100.00 6.42e-10
GB AAA58669 "HRX [Homo sapiens]" 97.01 3969 100.00 100.00 2.82e-40
GB AAA92511 "trithorax, partial [Homo sapiens]" 97.01 1012 100.00 100.00 2.53e-37
GB AAB34770 "trx Zinc-finger region homolog, partial [Homo sapiens]" 97.01 366 98.46 98.46 1.15e-37
GB AAM33377 "CDK6/MLL fusion protein [Homo sapiens]" 95.52 182 100.00 100.00 1.63e-37
GB AAQ63624 "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) [Homo sapiens]" 97.01 3969 100.00 100.00 2.82e-40
REF NP_001074518 "histone-lysine N-methyltransferase 2A [Mus musculus]" 97.01 3963 98.46 100.00 1.21e-39
REF NP_005924 "histone-lysine N-methyltransferase 2A isoform 2 precursor [Homo sapiens]" 97.01 3969 100.00 100.00 2.82e-40
REF XP_003253537 "PREDICTED: histone-lysine N-methyltransferase 2A [Nomascus leucogenys]" 97.01 3968 100.00 100.00 5.64e-40
REF XP_003910832 "PREDICTED: histone-lysine N-methyltransferase 2A isoform X3 [Papio anubis]" 97.01 3968 100.00 100.00 2.82e-40
REF XP_004052287 "PREDICTED: histone-lysine N-methyltransferase MLL [Gorilla gorilla gorilla]" 97.01 3837 100.00 100.00 1.21e-40
SP Q03164 "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=CX" 97.01 3969 100.00 100.00 2.82e-40
TPG DAA22311 "TPA: myeloid/lymphoid or mixed-lineage leukemia-like [Bos taurus]" 97.01 3821 100.00 100.00 4.79e-40
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 no
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
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 'not present'
_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
$PHD3 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
$PHD3 'recombinant technology' . Escherichia coli . 'GE Healthcare'
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
$PHD3 1 mM '[U-98% 13C; U-98% 15N]'
$ZN 100 uM 'natural abundance'
'potassium phosphate' 25 mM 'natural abundance'
DTT 3 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium azide' 1 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HNHA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_TROSY-HNCO_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D TROSY-HNCO'
_Sample_label $sample_1
save_
save_3D_TROSY-HNCO_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D TROSY-HNCO'
_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
pH 6.9 . pH
temperature 303 . 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
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 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_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HCCH-TOCSY'
'3D C(CO)NH'
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 PHD3
_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 2 2 SER HA H 4.446 . 1
2 2 2 SER HB2 H 3.811 . 2
3 2 2 SER HB3 H 3.811 . 2
4 2 2 SER CA C 58.188 . 1
5 2 2 SER CB C 64.144 . 1
6 3 3 ALA HA H 4.004 . 1
7 3 3 ALA HB H 1.144 . .
8 3 3 ALA C C 177.032 . 1
9 3 3 ALA CA C 52.895 . 1
10 3 3 ALA CB C 19.245 . 1
11 4 4 LYS H H 8.050 . 1
12 4 4 LYS HA H 4.137 . 1
13 4 4 LYS HB2 H 1.673 . 2
14 4 4 LYS HB3 H 1.633 . 2
15 4 4 LYS HD2 H 1.508 . 2
16 4 4 LYS HD3 H 1.508 . 2
17 4 4 LYS HE2 H 2.810 . 2
18 4 4 LYS HE3 H 2.810 . 2
19 4 4 LYS HG2 H 1.265 . 2
20 4 4 LYS HG3 H 1.231 . 2
21 4 4 LYS C C 176.936 . 1
22 4 4 LYS CA C 56.717 . 1
23 4 4 LYS CB C 33.013 . 1
24 4 4 LYS CD C 29.076 . 1
25 4 4 LYS CE C 42.189 . 1
26 4 4 LYS CG C 24.737 . 1
27 4 4 LYS N N 119.644 . 1
28 5 5 GLY H H 8.255 . 1
29 5 5 GLY HA2 H 3.880 . 2
30 5 5 GLY HA3 H 3.781 . 2
31 5 5 GLY C C 173.536 . 1
32 5 5 GLY CA C 45.378 . 1
33 5 5 GLY N N 109.507 . 1
34 6 6 ASN H H 8.106 . 1
35 6 6 ASN HA H 4.726 . 1
36 6 6 ASN HB2 H 2.498 . 2
37 6 6 ASN HB3 H 2.498 . 2
38 6 6 ASN HD21 H 7.121 . 2
39 6 6 ASN HD22 H 6.732 . 2
40 6 6 ASN CA C 53.006 . 1
41 6 6 ASN CB C 39.202 . 1
42 6 6 ASN N N 118.536 . 1
43 6 6 ASN ND2 N 113.383 . 1
44 7 7 PHE H H 8.130 . 1
45 7 7 PHE HA H 4.629 . 1
46 7 7 PHE HB2 H 2.733 . 2
47 7 7 PHE HB3 H 2.733 . 2
48 7 7 PHE HD1 H 7.011 . 3
49 7 7 PHE HD2 H 7.011 . 3
50 7 7 PHE HE1 H 7.001 . 3
51 7 7 PHE HE2 H 7.001 . 3
52 7 7 PHE HZ H 6.761 . 1
53 7 7 PHE C C 174.746 . 1
54 7 7 PHE CA C 56.392 . 1
55 7 7 PHE CB C 41.216 . 1
56 7 7 PHE N N 119.094 . 1
57 8 8 CYS H H 8.278 . 1
58 8 8 CYS HA H 5.140 . 1
59 8 8 CYS HB2 H 3.372 . 2
60 8 8 CYS HB3 H 2.312 . 2
61 8 8 CYS CA C 55.823 . 1
62 8 8 CYS CB C 31.897 . 1
63 8 8 CYS N N 127.665 . 1
64 9 9 PRO HA H 4.617 . 1
65 9 9 PRO HB2 H 2.338 . 2
66 9 9 PRO HB3 H 2.078 . 2
67 9 9 PRO HD2 H 4.363 . 2
68 9 9 PRO HD3 H 4.058 . 2
69 9 9 PRO HG2 H 2.067 . 2
70 9 9 PRO HG3 H 2.012 . 2
71 9 9 PRO C C 176.973 . 1
72 9 9 PRO CA C 63.786 . 1
73 9 9 PRO CB C 32.400 . 1
74 9 9 PRO CD C 51.520 . 1
75 9 9 PRO CG C 27.294 . 1
76 10 10 LEU H H 8.867 . 1
77 10 10 LEU HA H 4.483 . 1
78 10 10 LEU HB2 H 1.948 . 2
79 10 10 LEU HB3 H 1.647 . 2
80 10 10 LEU HD1 H 0.961 . .
81 10 10 LEU HD2 H 0.902 . .
82 10 10 LEU HG H 1.700 . 1
83 10 10 LEU C C 177.645 . 1
84 10 10 LEU CA C 56.697 . 1
85 10 10 LEU CB C 42.507 . 1
86 10 10 LEU CD1 C 26.025 . 2
87 10 10 LEU CD2 C 23.095 . 2
88 10 10 LEU CG C 28.022 . 1
89 10 10 LEU N N 121.754 . 1
90 11 11 CYS H H 7.772 . 1
91 11 11 CYS HA H 4.905 . 1
92 11 11 CYS HB2 H 3.161 . 2
93 11 11 CYS HB3 H 3.071 . 2
94 11 11 CYS C C 175.287 . 1
95 11 11 CYS CA C 58.177 . 1
96 11 11 CYS CB C 32.075 . 1
97 11 11 CYS N N 116.637 . 1
98 12 12 ASP H H 8.290 . 1
99 12 12 ASP HA H 4.588 . 1
100 12 12 ASP HB2 H 2.939 . 2
101 12 12 ASP HB3 H 2.652 . 2
102 12 12 ASP C C 175.008 . 1
103 12 12 ASP CA C 56.096 . 1
104 12 12 ASP CB C 40.512 . 1
105 12 12 ASP N N 120.443 . 1
106 13 13 LYS H H 8.039 . 1
107 13 13 LYS HA H 4.549 . 1
108 13 13 LYS HB2 H 1.976 . 2
109 13 13 LYS HB3 H 1.713 . 2
110 13 13 LYS HD2 H 1.613 . 2
111 13 13 LYS HD3 H 1.613 . 2
112 13 13 LYS HE2 H 2.931 . 2
113 13 13 LYS HE3 H 2.931 . 2
114 13 13 LYS HG2 H 1.426 . 2
115 13 13 LYS HG3 H 1.372 . 2
116 13 13 LYS C C 176.019 . 1
117 13 13 LYS CA C 55.970 . 1
118 13 13 LYS CB C 34.916 . 1
119 13 13 LYS CD C 29.181 . 1
120 13 13 LYS CE C 42.367 . 1
121 13 13 LYS CG C 25.197 . 1
122 13 13 LYS N N 118.636 . 1
123 14 14 CYS H H 8.458 . 1
124 14 14 CYS HA H 4.370 . 1
125 14 14 CYS HB2 H 2.530 . 2
126 14 14 CYS HB3 H 2.530 . 2
127 14 14 CYS C C 175.116 . 1
128 14 14 CYS CA C 57.907 . 1
129 14 14 CYS CB C 28.248 . 1
130 14 14 CYS N N 121.081 . 1
131 15 15 TYR H H 8.088 . 1
132 15 15 TYR HA H 4.508 . 1
133 15 15 TYR HB2 H 2.776 . 2
134 15 15 TYR HB3 H 2.776 . 2
135 15 15 TYR HD1 H 6.774 . 3
136 15 15 TYR HD2 H 6.774 . 3
137 15 15 TYR HE1 H 6.770 . 3
138 15 15 TYR HE2 H 6.386 . 3
139 15 15 TYR C C 175.457 . 1
140 15 15 TYR CA C 58.091 . 1
141 15 15 TYR CB C 39.003 . 1
142 15 15 TYR CD1 C 132.790 . 3
143 15 15 TYR CD2 C 132.802 . 3
144 15 15 TYR CE1 C 118.413 . 3
145 15 15 TYR CE2 C 117.790 . 3
146 15 15 TYR N N 124.545 . 1
147 16 16 ASP H H 8.304 . 1
148 16 16 ASP HA H 4.538 . 1
149 16 16 ASP HB2 H 2.658 . 2
150 16 16 ASP HB3 H 2.568 . 2
151 16 16 ASP C C 176.209 . 1
152 16 16 ASP CA C 54.331 . 1
153 16 16 ASP CB C 41.799 . 1
154 16 16 ASP N N 122.076 . 1
155 17 17 ASP H H 8.035 . 1
156 17 17 ASP HA H 4.412 . 1
157 17 17 ASP HB2 H 2.653 . 2
158 17 17 ASP HB3 H 2.586 . 2
159 17 17 ASP C C 176.480 . 1
160 17 17 ASP CA C 55.338 . 1
161 17 17 ASP CB C 41.333 . 1
162 17 17 ASP N N 120.034 . 1
163 18 18 ASP H H 8.177 . 1
164 18 18 ASP HA H 4.502 . 1
165 18 18 ASP HB2 H 2.639 . 2
166 18 18 ASP HB3 H 2.639 . 2
167 18 18 ASP C C 176.182 . 1
168 18 18 ASP CA C 54.951 . 1
169 18 18 ASP CB C 41.418 . 1
170 18 18 ASP N N 119.388 . 1
171 19 19 ASP H H 8.002 . 1
172 19 19 ASP HA H 4.522 . 1
173 19 19 ASP HB2 H 2.626 . 2
174 19 19 ASP HB3 H 2.626 . 2
175 19 19 ASP C C 176.687 . 1
176 19 19 ASP CA C 54.392 . 1
177 19 19 ASP CB C 41.253 . 1
178 19 19 ASP N N 119.716 . 1
179 20 20 TYR H H 7.960 . 1
180 20 20 TYR HA H 4.271 . 1
181 20 20 TYR HB2 H 2.950 . 2
182 20 20 TYR HB3 H 2.950 . 2
183 20 20 TYR HD1 H 6.962 . 3
184 20 20 TYR HD2 H 6.962 . 3
185 20 20 TYR HE1 H 6.950 . 3
186 20 20 TYR HE2 H 6.690 . 3
187 20 20 TYR C C 176.480 . 1
188 20 20 TYR CA C 59.355 . 1
189 20 20 TYR CB C 38.401 . 1
190 20 20 TYR CD1 C 133.154 . 3
191 20 20 TYR CD2 C 133.202 . 3
192 20 20 TYR N N 121.100 . 1
193 21 21 GLU H H 8.175 . 1
194 21 21 GLU HA H 4.122 . 1
195 21 21 GLU HB2 H 1.978 . 2
196 21 21 GLU HB3 H 1.907 . 2
197 21 21 GLU HG2 H 2.112 . 2
198 21 21 GLU HG3 H 2.112 . 2
199 21 21 GLU C C 176.754 . 1
200 21 21 GLU CA C 57.316 . 1
201 21 21 GLU CB C 30.000 . 1
202 21 21 GLU CG C 36.637 . 1
203 21 21 GLU N N 119.507 . 1
204 22 22 SER H H 7.768 . 1
205 22 22 SER HA H 4.333 . 1
206 22 22 SER HB2 H 3.793 . 2
207 22 22 SER HB3 H 3.793 . 2
208 22 22 SER C C 174.232 . 1
209 22 22 SER CA C 58.752 . 1
210 22 22 SER CB C 64.067 . 1
211 22 22 SER N N 115.023 . 1
212 23 23 LYS H H 7.993 . 1
213 23 23 LYS HA H 4.233 . 1
214 23 23 LYS HB2 H 1.607 . 2
215 23 23 LYS HB3 H 1.607 . 2
216 23 23 LYS HD2 H 1.367 . 2
217 23 23 LYS HD3 H 1.367 . 2
218 23 23 LYS HE2 H 2.804 . 2
219 23 23 LYS HE3 H 2.804 . 2
220 23 23 LYS HG2 H 1.122 . 2
221 23 23 LYS HG3 H 1.122 . 2
222 23 23 LYS C C 176.234 . 1
223 23 23 LYS CA C 56.586 . 1
224 23 23 LYS CB C 32.545 . 1
225 23 23 LYS CD C 29.007 . 1
226 23 23 LYS CE C 42.409 . 1
227 23 23 LYS CG C 24.847 . 1
228 23 23 LYS N N 121.884 . 1
229 24 24 MET H H 8.350 . 1
230 24 24 MET HA H 5.263 . 1
231 24 24 MET HB2 H 2.070 . 2
232 24 24 MET HB3 H 1.923 . 2
233 24 24 MET HE H 1.326 . .
234 24 24 MET HG2 H 2.430 . 2
235 24 24 MET HG3 H 2.154 . 2
236 24 24 MET C C 175.145 . 1
237 24 24 MET CA C 55.010 . 1
238 24 24 MET CB C 36.926 . 1
239 24 24 MET CE C 17.016 . 1
240 24 24 MET CG C 32.608 . 1
241 24 24 MET N N 121.058 . 1
242 25 25 MET H H 8.898 . 1
243 25 25 MET HA H 4.728 . 1
244 25 25 MET HB2 H 1.421 . 2
245 25 25 MET HB3 H 1.381 . 2
246 25 25 MET HE H 1.447 . .
247 25 25 MET HG2 H 2.066 . 2
248 25 25 MET HG3 H 1.933 . 2
249 25 25 MET C C 173.278 . 1
250 25 25 MET CA C 54.041 . 1
251 25 25 MET CB C 35.433 . 1
252 25 25 MET CE C 16.883 . 1
253 25 25 MET CG C 31.577 . 1
254 25 25 MET N N 119.990 . 1
255 26 26 GLN H H 8.223 . 1
256 26 26 GLN HA H 4.220 . 1
257 26 26 GLN HB2 H 1.162 . 2
258 26 26 GLN HB3 H -0.560 . 2
259 26 26 GLN HE21 H 6.940 . 2
260 26 26 GLN HE22 H 6.460 . 2
261 26 26 GLN HG2 H 1.377 . 2
262 26 26 GLN HG3 H 0.617 . 2
263 26 26 GLN C C 175.212 . 1
264 26 26 GLN CA C 53.792 . 1
265 26 26 GLN CB C 28.786 . 1
266 26 26 GLN CG C 32.880 . 1
267 26 26 GLN N N 123.224 . 1
268 26 26 GLN NE2 N 110.026 . 1
269 27 27 CYS H H 8.766 . 1
270 27 27 CYS HA H 4.296 . 1
271 27 27 CYS HB2 H 3.392 . 2
272 27 27 CYS HB3 H 2.544 . 2
273 27 27 CYS C C 177.734 . 1
274 27 27 CYS CA C 59.546 . 1
275 27 27 CYS CB C 31.411 . 1
276 27 27 CYS N N 128.888 . 1
277 28 28 GLY H H 9.131 . 1
278 28 28 GLY HA2 H 4.086 . 2
279 28 28 GLY HA3 H 3.760 . 2
280 28 28 GLY C C 173.944 . 1
281 28 28 GLY CA C 46.660 . 1
282 28 28 GLY N N 117.191 . 1
283 29 29 LYS H H 9.361 . 1
284 29 29 LYS HA H 4.518 . 1
285 29 29 LYS HB2 H 2.035 . 2
286 29 29 LYS HB3 H 1.990 . 2
287 29 29 LYS HD2 H 1.603 . 2
288 29 29 LYS HD3 H 1.603 . 2
289 29 29 LYS HE2 H 2.923 . 2
290 29 29 LYS HE3 H 2.923 . 2
291 29 29 LYS HG2 H 1.399 . 2
292 29 29 LYS HG3 H 1.399 . 2
293 29 29 LYS C C 177.178 . 1
294 29 29 LYS CA C 57.755 . 1
295 29 29 LYS CB C 33.972 . 1
296 29 29 LYS CD C 28.939 . 1
297 29 29 LYS CE C 42.279 . 1
298 29 29 LYS CG C 25.474 . 1
299 29 29 LYS N N 123.620 . 1
300 30 30 CYS H H 8.285 . 1
301 30 30 CYS HA H 4.814 . 1
302 30 30 CYS HB2 H 3.147 . 2
303 30 30 CYS HB3 H 2.580 . 2
304 30 30 CYS C C 175.853 . 1
305 30 30 CYS CA C 58.918 . 1
306 30 30 CYS CB C 32.080 . 1
307 30 30 CYS N N 118.369 . 1
308 31 31 ASP H H 7.516 . 1
309 31 31 ASP HA H 4.426 . 1
310 31 31 ASP HB2 H 2.907 . 2
311 31 31 ASP HB3 H 2.810 . 2
312 31 31 ASP C C 175.523 . 1
313 31 31 ASP CA C 56.699 . 1
314 31 31 ASP CB C 40.366 . 1
315 31 31 ASP N N 117.925 . 1
316 32 32 ARG H H 8.205 . 1
317 32 32 ARG HA H 4.420 . 1
318 32 32 ARG HB2 H 2.056 . 2
319 32 32 ARG HB3 H 1.760 . 2
320 32 32 ARG HD2 H 3.277 . 2
321 32 32 ARG HD3 H 3.277 . 2
322 32 32 ARG HG2 H 1.777 . 2
323 32 32 ARG HG3 H 1.704 . 2
324 32 32 ARG C C 175.275 . 1
325 32 32 ARG CA C 56.708 . 1
326 32 32 ARG CB C 31.131 . 1
327 32 32 ARG CD C 43.509 . 1
328 32 32 ARG CG C 27.844 . 1
329 32 32 ARG N N 121.627 . 1
330 33 33 TRP H H 8.450 . 1
331 33 33 TRP HA H 4.928 . 1
332 33 33 TRP HB2 H 2.823 . 2
333 33 33 TRP HB3 H 2.741 . 2
334 33 33 TRP HD1 H 7.208 . 1
335 33 33 TRP HE1 H 9.937 . 1
336 33 33 TRP HE3 H 7.079 . 1
337 33 33 TRP HH2 H 7.357 . 1
338 33 33 TRP HZ2 H 7.274 . 1
339 33 33 TRP HZ3 H 6.883 . 1
340 33 33 TRP C C 175.949 . 1
341 33 33 TRP CA C 56.871 . 1
342 33 33 TRP CB C 30.189 . 1
343 33 33 TRP CD1 C 127.177 . 1
344 33 33 TRP CE3 C 124.485 . 1
345 33 33 TRP CH2 C 127.388 . 1
346 33 33 TRP CZ2 C 115.061 . 1
347 33 33 TRP CZ3 C 121.680 . 1
348 33 33 TRP N N 122.116 . 1
349 33 33 TRP NE1 N 129.607 . 1
350 34 34 VAL H H 9.087 . 1
351 34 34 VAL HA H 4.835 . 1
352 34 34 VAL HB H 2.079 . 1
353 34 34 VAL HG1 H 0.979 . .
354 34 34 VAL HG2 H 0.905 . .
355 34 34 VAL C C 176.427 . 1
356 34 34 VAL CA C 59.394 . 1
357 34 34 VAL CB C 35.735 . 1
358 34 34 VAL CG1 C 21.822 . 2
359 34 34 VAL CG2 C 20.166 . 2
360 34 34 VAL N N 117.740 . 1
361 35 35 HIS H H 8.607 . 1
362 35 35 HIS HA H 4.919 . 1
363 35 35 HIS HB2 H 3.777 . 2
364 35 35 HIS HB3 H 3.610 . 2
365 35 35 HIS HD2 H 7.181 . 1
366 35 35 HIS HE1 H 7.554 . 1
367 35 35 HIS C C 177.024 . 1
368 35 35 HIS CA C 57.120 . 1
369 35 35 HIS CB C 32.026 . 1
370 35 35 HIS CD2 C 118.186 . 1
371 35 35 HIS CE1 C 138.715 . 1
372 35 35 HIS N N 123.556 . 1
373 36 36 SER H H 8.793 . 1
374 36 36 SER HA H 3.928 . 1
375 36 36 SER HB2 H 3.786 . 2
376 36 36 SER HB3 H 3.674 . 2
377 36 36 SER CA C 62.241 . 1
378 36 36 SER CB C 62.503 . 1
379 36 36 SER N N 121.905 . 1
380 37 37 LYS HA H 4.197 . 1
381 37 37 LYS HB2 H 1.714 . 2
382 37 37 LYS HB3 H 1.714 . 2
383 37 37 LYS HD2 H 1.575 . 2
384 37 37 LYS HD3 H 1.575 . 2
385 37 37 LYS HE2 H 2.849 . 2
386 37 37 LYS HE3 H 2.849 . 2
387 37 37 LYS HG2 H 1.429 . 2
388 37 37 LYS HG3 H 1.341 . 2
389 37 37 LYS CA C 58.427 . 1
390 37 37 LYS CB C 32.428 . 1
391 38 38 CYS H H 7.003 . 1
392 38 38 CYS HA H 4.063 . 1
393 38 38 CYS HB2 H 3.092 . 2
394 38 38 CYS HB3 H 3.022 . 2
395 38 38 CYS CA C 62.549 . 1
396 38 38 CYS CB C 30.012 . 1
397 38 38 CYS N N 119.750 . 1
398 39 39 GLU H H 7.479 . 1
399 39 39 GLU HA H 4.358 . 1
400 39 39 GLU HB2 H 2.226 . 2
401 39 39 GLU HB3 H 1.852 . 2
402 39 39 GLU HG2 H 2.241 . 2
403 39 39 GLU HG3 H 2.158 . 2
404 39 39 GLU C C 175.319 . 1
405 39 39 GLU CA C 56.680 . 1
406 39 39 GLU CB C 30.611 . 1
407 39 39 GLU CG C 36.616 . 1
408 39 39 GLU N N 118.959 . 1
409 40 40 ASN H H 7.957 . 1
410 40 40 ASN HA H 4.431 . 1
411 40 40 ASN HB2 H 3.006 . 2
412 40 40 ASN HB3 H 2.738 . 2
413 40 40 ASN HD21 H 7.508 . 2
414 40 40 ASN HD22 H 6.783 . 2
415 40 40 ASN C C 174.573 . 1
416 40 40 ASN CA C 53.991 . 1
417 40 40 ASN CB C 37.720 . 1
418 40 40 ASN N N 115.330 . 1
419 40 40 ASN ND2 N 112.619 . 1
420 41 41 LEU H H 7.746 . 1
421 41 41 LEU HA H 4.468 . 1
422 41 41 LEU HB2 H 1.535 . 2
423 41 41 LEU HB3 H 1.392 . 2
424 41 41 LEU HD1 H 0.808 . .
425 41 41 LEU HD2 H 0.825 . .
426 41 41 LEU HG H 1.616 . 1
427 41 41 LEU C C 177.344 . 1
428 41 41 LEU CA C 54.549 . 1
429 41 41 LEU CB C 43.157 . 1
430 41 41 LEU CD1 C 25.780 . 2
431 41 41 LEU CD2 C 23.941 . 2
432 41 41 LEU N N 119.266 . 1
433 42 42 SER H H 8.411 . 1
434 42 42 SER HA H 4.412 . 1
435 42 42 SER HB2 H 4.306 . 2
436 42 42 SER HB3 H 4.023 . 2
437 42 42 SER C C 174.685 . 1
438 42 42 SER CA C 57.494 . 1
439 42 42 SER CB C 64.787 . 1
440 42 42 SER N N 119.613 . 1
441 43 43 ASP H H 8.830 . 1
442 43 43 ASP HA H 4.416 . 1
443 43 43 ASP HB2 H 2.717 . 2
444 43 43 ASP HB3 H 2.602 . 2
445 43 43 ASP C C 178.563 . 1
446 43 43 ASP CA C 57.507 . 1
447 43 43 ASP CB C 40.292 . 1
448 43 43 ASP N N 122.384 . 1
449 44 44 GLU H H 8.709 . 1
450 44 44 GLU HA H 4.091 . 1
451 44 44 GLU HB2 H 2.033 . 2
452 44 44 GLU HB3 H 1.944 . 2
453 44 44 GLU HG2 H 2.282 . 2
454 44 44 GLU HG3 H 2.282 . 2
455 44 44 GLU C C 178.644 . 1
456 44 44 GLU CA C 59.623 . 1
457 44 44 GLU CB C 29.533 . 1
458 44 44 GLU CG C 36.689 . 1
459 44 44 GLU N N 119.644 . 1
460 45 45 MET H H 7.888 . 1
461 45 45 MET HA H 4.374 . 1
462 45 45 MET HB2 H 2.138 . 2
463 45 45 MET HB3 H 2.013 . 2
464 45 45 MET HE H 2.078 . .
465 45 45 MET HG2 H 2.593 . 2
466 45 45 MET HG3 H 2.593 . 2
467 45 45 MET C C 177.959 . 1
468 45 45 MET CA C 57.012 . 1
469 45 45 MET CB C 32.014 . 1
470 45 45 MET CE C 17.018 . 1
471 45 45 MET CG C 32.686 . 1
472 45 45 MET N N 119.179 . 1
473 46 46 TYR H H 8.488 . 1
474 46 46 TYR HA H 3.989 . 1
475 46 46 TYR HB2 H 3.128 . 2
476 46 46 TYR HB3 H 2.977 . 2
477 46 46 TYR HD1 H 6.996 . 3
478 46 46 TYR HD2 H 6.996 . 3
479 46 46 TYR HE1 H 6.982 . 3
480 46 46 TYR HE2 H 6.706 . 3
481 46 46 TYR C C 177.817 . 1
482 46 46 TYR CA C 61.941 . 1
483 46 46 TYR CB C 38.192 . 1
484 46 46 TYR CD1 C 132.989 . 3
485 46 46 TYR CD2 C 133.051 . 3
486 46 46 TYR N N 120.172 . 1
487 47 47 GLU H H 8.057 . 1
488 47 47 GLU HA H 3.857 . 1
489 47 47 GLU HB2 H 2.089 . 2
490 47 47 GLU HB3 H 2.089 . 2
491 47 47 GLU HG2 H 2.299 . 2
492 47 47 GLU HG3 H 2.299 . 2
493 47 47 GLU C C 178.423 . 1
494 47 47 GLU CA C 59.230 . 1
495 47 47 GLU CB C 29.661 . 1
496 47 47 GLU CG C 36.187 . 1
497 47 47 GLU N N 120.225 . 1
498 48 48 ILE H H 7.559 . 1
499 48 48 ILE HA H 3.800 . 1
500 48 48 ILE HB H 1.969 . 1
501 48 48 ILE HD1 H 0.851 . .
502 48 48 ILE HG12 H 1.696 . 2
503 48 48 ILE HG13 H 1.155 . 2
504 48 48 ILE HG2 H 0.871 . .
505 48 48 ILE C C 178.561 . 1
506 48 48 ILE CA C 64.267 . 1
507 48 48 ILE CB C 38.393 . 1
508 48 48 ILE CD1 C 13.202 . 1
509 48 48 ILE CG1 C 28.880 . 1
510 48 48 ILE CG2 C 17.286 . 1
511 48 48 ILE N N 119.580 . 1
512 49 49 LEU H H 8.205 . 1
513 49 49 LEU HA H 3.995 . 1
514 49 49 LEU HB2 H 1.662 . 2
515 49 49 LEU HB3 H 1.409 . 2
516 49 49 LEU HD1 H 0.817 . .
517 49 49 LEU HD2 H 0.831 . .
518 49 49 LEU HG H 1.754 . 1
519 49 49 LEU C C 178.890 . 1
520 49 49 LEU CA C 57.228 . 1
521 49 49 LEU CB C 41.918 . 1
522 49 49 LEU CD1 C 26.065 . 2
523 49 49 LEU CD2 C 23.378 . 2
524 49 49 LEU CG C 27.101 . 1
525 49 49 LEU N N 119.540 . 1
526 50 50 SER H H 7.931 . 1
527 50 50 SER HA H 4.134 . 1
528 50 50 SER HB2 H 3.770 . 2
529 50 50 SER HB3 H 3.530 . 2
530 50 50 SER C C 174.461 . 1
531 50 50 SER CA C 60.188 . 1
532 50 50 SER CB C 63.386 . 1
533 50 50 SER N N 112.904 . 1
534 51 51 ASN H H 7.496 . 1
535 51 51 ASN HA H 4.836 . 1
536 51 51 ASN HB2 H 2.859 . 2
537 51 51 ASN HB3 H 2.635 . 2
538 51 51 ASN HD21 H 7.660 . 2
539 51 51 ASN HD22 H 6.876 . 2
540 51 51 ASN C C 174.749 . 1
541 51 51 ASN CA C 53.383 . 1
542 51 51 ASN CB C 40.031 . 1
543 51 51 ASN N N 118.795 . 1
544 51 51 ASN ND2 N 114.478 . 1
545 52 52 LEU H H 7.586 . 1
546 52 52 LEU HA H 4.588 . 1
547 52 52 LEU HB2 H 1.707 . 2
548 52 52 LEU HB3 H 1.542 . 2
549 52 52 LEU HD1 H 0.929 . .
550 52 52 LEU HD2 H 0.883 . .
551 52 52 LEU HG H 1.842 . 1
552 52 52 LEU CA C 53.635 . 1
553 52 52 LEU CB C 41.931 . 1
554 52 52 LEU CD1 C 26.117 . 2
555 52 52 LEU CD2 C 23.421 . 2
556 52 52 LEU N N 122.443 . 1
557 53 53 PRO HA H 4.449 . 1
558 53 53 PRO HB2 H 2.348 . 2
559 53 53 PRO HB3 H 1.962 . 2
560 53 53 PRO HD2 H 3.792 . 2
561 53 53 PRO HD3 H 3.570 . 2
562 53 53 PRO HG2 H 2.016 . 2
563 53 53 PRO HG3 H 2.016 . 2
564 53 53 PRO C C 177.263 . 1
565 53 53 PRO CA C 63.598 . 1
566 53 53 PRO CB C 32.115 . 1
567 53 53 PRO CD C 50.548 . 1
568 53 53 PRO CG C 27.526 . 1
569 54 54 GLU H H 8.463 . 1
570 54 54 GLU HA H 4.179 . 1
571 54 54 GLU HB2 H 2.049 . 2
572 54 54 GLU HB3 H 2.006 . 2
573 54 54 GLU HG2 H 2.276 . 2
574 54 54 GLU HG3 H 2.276 . 2
575 54 54 GLU C C 176.666 . 1
576 54 54 GLU CA C 57.693 . 1
577 54 54 GLU CB C 29.882 . 1
578 54 54 GLU CG C 36.450 . 1
579 54 54 GLU N N 118.363 . 1
580 55 55 SER H H 7.929 . 1
581 55 55 SER HA H 4.311 . 1
582 55 55 SER HB2 H 3.903 . 2
583 55 55 SER HB3 H 3.903 . 2
584 55 55 SER C C 174.163 . 1
585 55 55 SER CA C 59.018 . 1
586 55 55 SER CB C 63.698 . 1
587 55 55 SER N N 113.500 . 1
588 56 56 VAL H H 7.730 . 1
589 56 56 VAL HA H 4.288 . 1
590 56 56 VAL HB H 2.041 . 1
591 56 56 VAL HG1 H 0.897 . .
592 56 56 VAL HG2 H 0.881 . .
593 56 56 VAL C C 174.728 . 1
594 56 56 VAL CA C 61.794 . 1
595 56 56 VAL CB C 33.090 . 1
596 56 56 VAL CG1 C 21.775 . 2
597 56 56 VAL CG2 C 20.983 . 2
598 56 56 VAL N N 120.787 . 1
599 57 57 ALA H H 8.198 . 1
600 57 57 ALA HA H 4.423 . 1
601 57 57 ALA HB H 1.316 . .
602 57 57 ALA C C 176.720 . 1
603 57 57 ALA CA C 51.794 . 1
604 57 57 ALA CB C 20.250 . 1
605 57 57 ALA N N 126.956 . 1
606 58 58 TYR H H 8.596 . 1
607 58 58 TYR HA H 4.497 . 1
608 58 58 TYR HB2 H 2.936 . 2
609 58 58 TYR HB3 H 2.747 . 2
610 58 58 TYR HD1 H 6.705 . 3
611 58 58 TYR HD2 H 6.705 . 3
612 58 58 TYR HE1 H 6.692 . 3
613 58 58 TYR HE2 H 6.461 . 3
614 58 58 TYR C C 174.474 . 1
615 58 58 TYR CA C 58.359 . 1
616 58 58 TYR CB C 39.900 . 1
617 58 58 TYR CD1 C 132.711 . 3
618 58 58 TYR CD2 C 132.680 . 3
619 58 58 TYR CE1 C 118.330 . 3
620 58 58 TYR CE2 C 117.984 . 3
621 58 58 TYR N N 123.526 . 1
622 59 59 THR H H 7.208 . 1
623 59 59 THR HA H 4.922 . 1
624 59 59 THR HB H 3.612 . 1
625 59 59 THR HG2 H 1.002 . .
626 59 59 THR C C 172.711 . 1
627 59 59 THR CA C 60.466 . 1
628 59 59 THR CB C 70.590 . 1
629 59 59 THR CG2 C 22.676 . 1
630 59 59 THR N N 123.419 . 1
631 60 60 CYS H H 9.556 . 1
632 60 60 CYS HA H 4.518 . 1
633 60 60 CYS HB2 H 3.659 . 2
634 60 60 CYS HB3 H 2.670 . 2
635 60 60 CYS C C 176.950 . 1
636 60 60 CYS CA C 58.306 . 1
637 60 60 CYS CB C 32.169 . 1
638 60 60 CYS N N 128.585 . 1
639 61 61 VAL H H 9.150 . 1
640 61 61 VAL HA H 3.746 . 1
641 61 61 VAL HB H 2.152 . 1
642 61 61 VAL HG1 H 1.021 . .
643 61 61 VAL HG2 H 0.949 . .
644 61 61 VAL CA C 65.567 . 1
645 61 61 VAL CB C 31.946 . 1
646 61 61 VAL CG1 C 21.698 . 2
647 61 61 VAL CG2 C 20.873 . 2
648 61 61 VAL N N 120.014 . 1
649 62 62 ASN H H 8.451 . 1
650 62 62 ASN HA H 4.535 . 1
651 62 62 ASN HB2 H 2.874 . 2
652 62 62 ASN HB3 H 2.843 . 2
653 62 62 ASN HD21 H 7.827 . 2
654 62 62 ASN HD22 H 6.921 . 2
655 62 62 ASN C C 177.256 . 1
656 62 62 ASN CA C 56.098 . 1
657 62 62 ASN CB C 39.300 . 1
658 62 62 ASN N N 120.510 . 1
659 62 62 ASN ND2 N 113.008 . 1
660 63 63 CYS H H 8.258 . 1
661 63 63 CYS HA H 4.007 . 1
662 63 63 CYS HB2 H 2.765 . 2
663 63 63 CYS HB3 H 2.765 . 2
664 63 63 CYS C C 176.358 . 1
665 63 63 CYS CA C 62.925 . 1
666 63 63 CYS CB C 30.673 . 1
667 63 63 CYS N N 122.008 . 1
668 64 64 THR H H 7.700 . 1
669 64 64 THR HA H 3.926 . 1
670 64 64 THR HB H 4.082 . 1
671 64 64 THR HG2 H 1.110 . .
672 64 64 THR C C 174.396 . 1
673 64 64 THR CA C 64.116 . 1
674 64 64 THR CB C 69.702 . 1
675 64 64 THR CG2 C 21.386 . 1
676 64 64 THR N N 116.018 . 1
677 65 65 GLU H H 8.154 . 1
678 65 65 GLU HA H 4.161 . 1
679 65 65 GLU HB2 H 1.944 . 2
680 65 65 GLU HB3 H 1.899 . 2
681 65 65 GLU HG2 H 2.254 . 2
682 65 65 GLU HG3 H 2.145 . 2
683 65 65 GLU C C 176.016 . 1
684 65 65 GLU CA C 56.834 . 1
685 65 65 GLU CB C 30.208 . 1
686 65 65 GLU CG C 36.381 . 1
687 65 65 GLU N N 123.578 . 1
688 66 66 ARG H H 8.004 . 1
689 66 66 ARG HA H 4.260 . 1
690 66 66 ARG HB2 H 1.779 . 2
691 66 66 ARG HB3 H 1.668 . 2
692 66 66 ARG HD2 H 3.134 . 2
693 66 66 ARG HD3 H 3.134 . 2
694 66 66 ARG HG2 H 1.567 . 2
695 66 66 ARG HG3 H 1.567 . 2
696 66 66 ARG C C 175.211 . 1
697 66 66 ARG CA C 56.082 . 1
698 66 66 ARG CB C 30.894 . 1
699 66 66 ARG CD C 43.448 . 1
700 66 66 ARG CG C 27.163 . 1
701 66 66 ARG N N 122.210 . 1
702 67 67 HIS H H 7.978 . 1
703 67 67 HIS HA H 4.418 . 1
704 67 67 HIS HB2 H 3.184 . 2
705 67 67 HIS HB3 H 3.005 . 2
706 67 67 HIS HD2 H 7.076 . 1
707 67 67 HIS HE1 H 8.245 . 1
708 67 67 HIS CA C 57.225 . 1
709 67 67 HIS CB C 30.731 . 1
710 67 67 HIS CD2 C 119.927 . 1
711 67 67 HIS CE1 C 136.818 . 1
712 67 67 HIS N N 125.464 . 1
stop_
save_