data_6620
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, and 15N Chemical Shift Assignments for murine p22HBP
;
_BMRB_accession_number 6620
_BMRB_flat_file_name bmr6620.str
_Entry_type original
_Submission_date 2005-05-05
_Accession_date 2005-05-05
_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 Dias Jorge S. .
2 Macedo Anjos L. .
3 Ferreira Gloria C. .
4 Jeanty Naomi . .
5 Taketani Shigeru . .
6 Goodfellow Brian J. .
7 Peterson Francis . .
8 Volkman Brian F. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 793
"13C chemical shifts" 470
"15N chemical shifts" 154
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-01-04 update author 'entry citation update'
2006-08-17 update author 'entry citation update'
2006-05-09 update author 'update the residue sequence'
2005-10-10 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The first structure from the soul/HBP family of heme binding proteins: Murine P22HBP.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16905545
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Dias Jorge S. .
2 Macedo Anjos L. .
3 Ferreria Gloria C. .
4 Peterson Francis C. .
5 Volkman Brian F. .
6 Goodfellow Brian J. .
stop_
_Journal_abbreviation 'J. Biol. Chem'
_Journal_volume 281
_Journal_issue 42
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 31553
_Page_last 31561
_Year 2006
_Details .
loop_
_Keyword
'NMR assignments'
p22HBP
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_reference
_Saveframe_category citation
_Citation_full 'Journal of Biomolecular NMR'
_Citation_title '1H, 15N and 13C Resonance Assignments of the Heme-binding Protein Murine p22HBP'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16211492
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Dias Jorge S. .
2 Macedo Anjos L. .
3 Ferreria Gloria C. .
4 Jeanty Naomi . .
5 Taketani Shigeru . .
6 Goodfellow Brian J. .
7 Peterson Francis C. .
8 Volkman Brian F. .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_name_full .
_Journal_volume 32
_Journal_issue 4
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 338
_Page_last 338
_Year 2005
_Details .
loop_
_Keyword
'NMR assignments'
p22HBP
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'p22HBP monomer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
monomer $p22HBP
stop_
_System_molecular_weight 21053
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Magnetic_equivalence_ID
_Magnetically_equivalent_system_component
1 monomer
stop_
loop_
_Biological_function
'heme binding protein'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_p22HBP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'murine heme binding protein p22HBP'
_Molecular_mass 21053
_Mol_thiol_state 'not present'
loop_
_Biological_function
'heme binding protein'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 195
_Mol_residue_sequence
;
MKQSTHHHHIHNSLFGSVET
WPWQVLSTGGKEDVSYEERA
CEGGKFATVEVTDKPVDEAL
REAMPKIMKYVGGTNDKGVG
MGMTVPVSFAVFPNEDGSLQ
KKLKVWFRIPNQFQGSPPAP
SDESVKIEEREGITVYSTQF
GGYAKEADYVAHATQLRTTL
EGTPATYQGDVYYCAGYDPP
MKPYGRRNEVWLVKA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -5 MET 2 -4 LYS 3 -3 GLN 4 -2 SER 5 -1 THR
6 1 HIS 7 2 HIS 8 3 HIS 9 4 HIS 10 5 ILE
11 6 HIS 12 7 ASN 13 8 SER 14 9 LEU 15 10 PHE
16 11 GLY 17 12 SER 18 13 VAL 19 14 GLU 20 15 THR
21 16 TRP 22 17 PRO 23 18 TRP 24 19 GLN 25 20 VAL
26 21 LEU 27 22 SER 28 23 THR 29 24 GLY 30 25 GLY
31 26 LYS 32 27 GLU 33 28 ASP 34 29 VAL 35 30 SER
36 31 TYR 37 32 GLU 38 33 GLU 39 34 ARG 40 35 ALA
41 36 CYS 42 37 GLU 43 38 GLY 44 39 GLY 45 40 LYS
46 41 PHE 47 42 ALA 48 43 THR 49 44 VAL 50 45 GLU
51 46 VAL 52 47 THR 53 48 ASP 54 49 LYS 55 50 PRO
56 51 VAL 57 52 ASP 58 53 GLU 59 54 ALA 60 55 LEU
61 56 ARG 62 57 GLU 63 58 ALA 64 59 MET 65 60 PRO
66 61 LYS 67 62 ILE 68 63 MET 69 64 LYS 70 65 TYR
71 66 VAL 72 67 GLY 73 68 GLY 74 69 THR 75 70 ASN
76 71 ASP 77 72 LYS 78 73 GLY 79 74 VAL 80 75 GLY
81 76 MET 82 77 GLY 83 78 MET 84 79 THR 85 80 VAL
86 81 PRO 87 82 VAL 88 83 SER 89 84 PHE 90 85 ALA
91 86 VAL 92 87 PHE 93 88 PRO 94 89 ASN 95 90 GLU
96 91 ASP 97 92 GLY 98 93 SER 99 94 LEU 100 95 GLN
101 96 LYS 102 97 LYS 103 98 LEU 104 99 LYS 105 100 VAL
106 101 TRP 107 102 PHE 108 103 ARG 109 104 ILE 110 105 PRO
111 106 ASN 112 107 GLN 113 108 PHE 114 109 GLN 115 110 GLY
116 111 SER 117 112 PRO 118 113 PRO 119 114 ALA 120 115 PRO
121 116 SER 122 117 ASP 123 118 GLU 124 119 SER 125 120 VAL
126 121 LYS 127 122 ILE 128 123 GLU 129 124 GLU 130 125 ARG
131 126 GLU 132 127 GLY 133 128 ILE 134 129 THR 135 130 VAL
136 131 TYR 137 132 SER 138 133 THR 139 134 GLN 140 135 PHE
141 136 GLY 142 137 GLY 143 138 TYR 144 139 ALA 145 140 LYS
146 141 GLU 147 142 ALA 148 143 ASP 149 144 TYR 150 145 VAL
151 146 ALA 152 147 HIS 153 148 ALA 154 149 THR 155 150 GLN
156 151 LEU 157 152 ARG 158 153 THR 159 154 THR 160 155 LEU
161 156 GLU 162 157 GLY 163 158 THR 164 159 PRO 165 160 ALA
166 161 THR 167 162 TYR 168 163 GLN 169 164 GLY 170 165 ASP
171 166 VAL 172 167 TYR 173 168 TYR 174 169 CYS 175 170 ALA
176 171 GLY 177 172 TYR 178 173 ASP 179 174 PRO 180 175 PRO
181 176 MET 182 177 LYS 183 178 PRO 184 179 TYR 185 180 GLY
186 181 ARG 187 182 ARG 188 183 ASN 189 184 GLU 190 185 VAL
191 186 TRP 192 187 LEU 193 188 VAL 194 189 LYS 195 190 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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
BMRB 17953 HEME-BINDING_PROTEIN_1 97.37 195 99.46 99.46 7.99e-133
BMRB 7231 p22HBP 100.00 192 100.00 100.00 5.86e-137
PDB 2GOV "Solution Structure Of Murine P22hbp" 97.37 195 99.46 99.46 8.34e-133
PDB 2HVA "Solution Structure Of The Haem-Binding Protein P22hbp" 100.00 192 100.00 100.00 5.86e-137
PDB 4A1M "Nmr Structure Of Protoporphyrin-Ix Bound Murine P22hbp" 97.37 195 99.46 99.46 7.99e-133
DBJ BAA33770 "heme-binding protein [Mus musculus]" 100.00 190 99.47 99.47 4.17e-136
EMBL CAJ18470 "Hebp1 [Mus musculus]" 100.00 190 100.00 100.00 5.28e-137
GB AAD32096 "heme-binding protein [Mus musculus]" 100.00 190 100.00 100.00 5.28e-137
GB AAH12654 "Heme binding protein 1 [Mus musculus]" 100.00 190 100.00 100.00 5.28e-137
GB AAI68221 "Hebp1 protein [Rattus norvegicus]" 100.00 190 97.89 98.95 3.16e-135
GB EDL10544 "heme binding protein 1 [Mus musculus]" 100.00 190 100.00 100.00 5.28e-137
GB EDM01631 "heme binding protein 1 (predicted), isoform CRA_a [Rattus norvegicus]" 100.00 190 97.89 98.95 3.16e-135
REF NP_001102121 "heme-binding protein 1 [Rattus norvegicus]" 70.00 133 97.74 99.25 5.22e-89
REF NP_038574 "heme-binding protein 1 [Mus musculus]" 100.00 190 99.47 100.00 1.21e-136
REF XP_006237591 "PREDICTED: heme-binding protein 1 isoform X1 [Rattus norvegicus]" 100.00 190 97.89 98.95 3.16e-135
SP Q9R257 "RecName: Full=Heme-binding protein 1; AltName: Full=p22HBP [Mus musculus]" 100.00 190 99.47 100.00 1.21e-136
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Organ
$p22HBP mouse 10090 Eukaryota Metazoa Mus 'Mus musculus' liver
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Cell_line
_Vector_name
$p22HBP 'recombinant technology' 'E. coli' . . . BL21 .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_15N_13C
_Saveframe_category sample
_Sample_type solution
_Details '50mM phosphate buffer, 100mM KCl'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$p22HBP 1 mM '[U-15N; U-13C]'
'phosphate buffer' 50 mM .
KCL 100 mM .
stop_
save_
save_15N_13C_2H_50%
_Saveframe_category sample
_Sample_type solution
_Details '50mM phosphate buffer, 100mM KCl'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$p22HBP 1 mM '[U-15N; U-13C, U-50% 2H]'
'phosphate buffer' 50 mM .
KCL 100 mM .
stop_
save_
save_15N
_Saveframe_category sample
_Sample_type solution
_Details '50mM phosphate buffer, 100mM KCl'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$p22HBP 1 mM [U-15N]
'phosphate buffer' 50 mM .
KCL 100 mM .
stop_
save_
save_15N_13C_2H_100%
_Saveframe_category sample
_Sample_type solution
_Details '50mM phosphate buffer, 100mM KCl'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$p22HBP 1 mM '[U-15N; U-13C; U-2H]'
'phosphate buffer' 50 mM .
KCL 100 mM .
stop_
save_
############################
# Computer software used #
############################
save_nmrpipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Task
'nmr data processing'
stop_
_Details
;
nmr data processing.
F. Delaglio, S. Grzesiek, G.: J. Biomol. NMR, 6, (1995) 277-293.
;
save_
save_xeasy
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Task
'resonance assignment'
stop_
_Details
;
resonance assignment.
Bartels, C., Xia, T., Billeter, M., Guntert, P. & Wuthrich, K. (1995); J. Biomol. NMR,6, 1-10.
;
save_
save_xwinnmr
_Saveframe_category software
_Name xwinnmr
_Version 3.1
loop_
_Task
'data acquisition and processing'
stop_
_Details 'nmr data acquisition and processing'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX600
_Field_strength 600MHz
_Details 'with cryoprobe'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H15N HSQC'
_Sample_label $15N_13C
save_
save_2D_1H15N_TROSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H15N TROSY'
_Sample_label $15N_13C
save_
save_3D_trHNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCACB'
_Sample_label $15N_13C
save_
save_3D_trHNCOCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCOCACB'
_Sample_label $15N_13C
save_
save_3D_trHNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCA'
_Sample_label $15N_13C
save_
save_3D_trHNCOCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCOCA'
_Sample_label $15N_13C
save_
save_3D_HCCH_TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH_TOCSY'
_Sample_label $15N_13C
save_
save_3D_15N_HSQC-NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N HSQC-NOESY'
_Sample_label $15N_13C
save_
save_3D_15N_HSQC-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N HSQC-TOCSY'
_Sample_label $15N
save_
save_3D_13C_HSQC-NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C HSQC-NOESY'
_Sample_label $15N_13C
save_
save_3D_trHNCO_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCO'
_Sample_label $15N_13C_2H_100%
save_
save_3D_trHNCACO_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCACO'
_Sample_label $15N_13C_2H_100%
save_
save_2D_1H15N_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_2D_1H15N_TROSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H15N TROSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCACB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCOCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCOCACB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCA
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCOCA
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCOCA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N_HSQC-NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N HSQC-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N_HSQC-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N HSQC-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_HCCH_TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH_TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_13C_HSQC-NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C HSQC-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCO
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_trHNCACO
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D trHNCACO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 0.05 M
pH 8.0 0.01 pH
temperature 303 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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 0.0 external indirect cylindrical 'outside sample' parallel 0.251449530
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 external indirect cylindrical 'outside sample' parallel 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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$nmrpipe
$xeasy
$xwinnmr
stop_
loop_
_Experiment_label
'2D 1H15N HSQC'
'2D 1H15N TROSY'
'3D trHNCACB'
'3D trHNCOCACB'
'3D trHNCA'
'3D trHNCOCA'
'3D HCCH_TOCSY'
'3D 15N HSQC-NOESY'
'3D 15N HSQC-TOCSY'
'3D 13C HSQC-NOESY'
'3D trHNCACO'
'3D trHNCO'
stop_
loop_
_Sample_label
$15N_13C
$15N
$15N_13C_2H_100%
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name monomer
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 5 10 ILE HG2 H 0.837 0.020 1
2 5 10 ILE HD1 H 0.663 0.020 1
3 5 10 ILE CG2 C 17.283 0.150 1
4 5 10 ILE CD1 C 9.194 0.150 1
5 13 18 VAL HB H 2.019 0.020 1
6 13 18 VAL HG1 H 0.625 0.020 2
7 13 18 VAL CG1 C 18.900 0.150 1
8 15 20 THR HB H 4.152 0.020 1
9 15 20 THR CB C 70.012 0.150 1
10 16 21 TRP HD1 H 6.532 0.020 1
11 16 21 TRP HE1 H 10.428 0.020 1
12 16 21 TRP HZ2 H 7.399 0.020 1
13 16 21 TRP HH2 H 7.028 0.020 1
14 16 21 TRP CD1 C 124.153 0.150 1
15 16 21 TRP CZ2 C 113.800 0.150 1
16 16 21 TRP NE1 N 130.947 0.150 1
17 17 22 PRO C C 175.650 0.150 1
18 18 23 TRP H H 8.738 0.020 1
19 18 23 TRP HA H 5.370 0.020 1
20 18 23 TRP HB2 H 3.401 0.020 2
21 18 23 TRP HB3 H 2.643 0.020 2
22 18 23 TRP HD1 H 7.899 0.020 1
23 18 23 TRP HE1 H 10.757 0.020 1
24 18 23 TRP HZ2 H 7.376 0.020 1
25 18 23 TRP HH2 H 7.020 0.020 1
26 18 23 TRP C C 174.569 0.150 1
27 18 23 TRP CA C 55.457 0.150 1
28 18 23 TRP CB C 31.837 0.150 1
29 18 23 TRP CD1 C 125.188 0.150 1
30 18 23 TRP CZ2 C 112.765 0.150 1
31 18 23 TRP N N 124.524 0.150 1
32 18 23 TRP NE1 N 128.634 0.150 1
33 19 24 GLN H H 8.196 0.020 1
34 19 24 GLN HA H 4.845 0.020 1
35 19 24 GLN HB2 H 1.948 0.020 2
36 19 24 GLN HB3 H 2.046 0.020 2
37 19 24 GLN HG2 H 2.236 0.020 2
38 19 24 GLN C C 175.542 0.150 1
39 19 24 GLN CA C 54.163 0.150 1
40 19 24 GLN CB C 32.484 0.150 1
41 19 24 GLN N N 117.485 0.150 1
42 20 25 VAL H H 9.252 0.020 1
43 20 25 VAL HA H 4.148 0.020 1
44 20 25 VAL HB H 2.062 0.020 1
45 20 25 VAL C C 176.155 0.150 1
46 20 25 VAL CA C 63.800 0.150 1
47 20 25 VAL CB C 31.553 0.150 1
48 20 25 VAL N N 127.076 0.150 1
49 21 26 LEU H H 9.319 0.020 1
50 21 26 LEU HA H 4.241 0.020 1
51 21 26 LEU HB2 H 1.383 0.020 2
52 21 26 LEU HB3 H 1.549 0.020 2
53 21 26 LEU HG H 1.534 0.020 1
54 21 26 LEU HD1 H 0.775 0.020 2
55 21 26 LEU HD2 H 0.844 0.020 2
56 21 26 LEU C C 177.660 0.150 1
57 21 26 LEU CA C 55.952 0.150 1
58 21 26 LEU CB C 43.095 0.150 1
59 21 26 LEU CG C 27.307 0.150 1
60 21 26 LEU CD1 C 24.072 0.150 1
61 21 26 LEU CD2 C 25.366 0.150 1
62 21 26 LEU N N 130.410 0.150 1
63 22 27 SER H H 7.781 0.020 1
64 22 27 SER HA H 4.640 0.020 1
65 22 27 SER HB2 H 4.138 0.020 2
66 22 27 SER HB3 H 3.974 0.020 2
67 22 27 SER C C 171.855 0.150 1
68 22 27 SER CA C 58.957 0.150 1
69 22 27 SER CB C 64.835 0.150 1
70 22 27 SER N N 111.192 0.150 1
71 23 28 THR H H 8.159 0.020 1
72 23 28 THR HA H 4.807 0.020 1
73 23 28 THR HB H 4.229 0.020 1
74 23 28 THR HG2 H 1.159 0.020 1
75 23 28 THR C C 173.062 0.150 1
76 23 28 THR CA C 59.993 0.150 1
77 23 28 THR CB C 72.276 0.150 1
78 23 28 THR CG2 C 20.195 0.150 1
79 23 28 THR N N 110.807 0.150 1
80 24 29 GLY H H 7.185 0.020 1
81 24 29 GLY HA2 H 4.088 0.020 2
82 24 29 GLY HA3 H 3.517 0.020 2
83 24 29 GLY C C 171.927 0.150 1
84 24 29 GLY CA C 45.427 0.150 1
85 24 29 GLY N N 107.504 0.150 1
86 25 30 GLY H H 8.264 0.020 1
87 25 30 GLY HA2 H 3.895 0.020 2
88 25 30 GLY HA3 H 4.691 0.020 2
89 25 30 GLY CA C 45.750 0.150 1
90 25 30 GLY N N 107.595 0.150 1
91 26 31 LYS H H 8.242 0.020 1
92 26 31 LYS HA H 4.513 0.020 1
93 26 31 LYS HB2 H 1.945 0.020 2
94 26 31 LYS HB3 H 1.885 0.020 2
95 26 31 LYS HG2 H 1.498 0.020 2
96 26 31 LYS HG3 H 1.442 0.020 2
97 26 31 LYS HD2 H 1.784 0.020 1
98 26 31 LYS HD3 H 1.784 0.020 1
99 26 31 LYS HE2 H 3.067 0.020 1
100 26 31 LYS HE3 H 3.067 0.020 1
101 26 31 LYS CA C 56.432 0.150 1
102 26 31 LYS CB C 35.285 0.150 1
103 26 31 LYS CG C 25.366 0.150 1
104 26 31 LYS CD C 30.219 0.150 1
105 26 31 LYS CE C 42.515 0.150 1
106 26 31 LYS N N 119.629 0.150 1
107 27 32 GLU H H 7.876 0.020 1
108 27 32 GLU HA H 4.772 0.020 1
109 27 32 GLU HB2 H 1.621 0.020 2
110 27 32 GLU CA C 56.751 0.150 1
111 27 32 GLU CB C 33.690 0.150 1
112 27 32 GLU N N 121.729 0.150 1
113 28 33 ASP H H 8.621 0.020 1
114 28 33 ASP HA H 4.614 0.020 1
115 28 33 ASP HB2 H 2.801 0.020 2
116 28 33 ASP CA C 55.397 0.150 1
117 28 33 ASP CB C 40.991 0.150 1
118 28 33 ASP N N 118.792 0.150 1
119 29 34 VAL H H 7.879 0.020 1
120 29 34 VAL HA H 4.355 0.020 1
121 29 34 VAL HB H 2.217 0.020 1
122 29 34 VAL HG1 H 0.900 0.020 2
123 29 34 VAL CA C 62.575 0.150 1
124 29 34 VAL CB C 33.455 0.150 1
125 29 34 VAL CG1 C 21.489 0.150 1
126 29 34 VAL N N 121.681 0.150 1
127 30 35 SER H H 8.758 0.020 1
128 30 35 SER HA H 5.228 0.020 1
129 30 35 SER HB2 H 3.871 0.020 2
130 30 35 SER CA C 57.494 0.150 1
131 30 35 SER CB C 65.876 0.150 1
132 30 35 SER N N 122.242 0.150 1
133 31 36 TYR H H 8.574 0.020 1
134 31 36 TYR HA H 5.948 0.020 1
135 31 36 TYR HB2 H 2.989 0.020 2
136 31 36 TYR HB3 H 2.557 0.020 2
137 31 36 TYR HD1 H 6.575 0.020 1
138 31 36 TYR HD2 H 6.575 0.020 1
139 31 36 TYR HE1 H 6.508 0.020 1
140 31 36 TYR HE2 H 6.508 0.020 1
141 31 36 TYR CA C 56.428 0.150 1
142 31 36 TYR CB C 43.092 0.150 1
143 31 36 TYR CD1 C 133.013 0.150 3
144 31 36 TYR CE1 C 117.932 0.150 3
145 31 36 TYR N N 120.391 0.150 1
146 32 37 GLU H H 8.829 0.020 1
147 32 37 GLU HA H 4.814 0.020 1
148 32 37 GLU HB2 H 2.057 0.020 2
149 32 37 GLU HB3 H 1.744 0.020 2
150 32 37 GLU HG2 H 2.077 0.020 2
151 32 37 GLU HG3 H 2.248 0.020 2
152 32 37 GLU CA C 54.732 0.150 1
153 32 37 GLU CB C 34.261 0.150 1
154 32 37 GLU CG C 36.691 0.150 1
155 32 37 GLU N N 118.485 0.150 1
156 33 38 GLU H H 8.991 0.020 1
157 33 38 GLU HA H 5.171 0.020 1
158 33 38 GLU HB2 H 2.044 0.020 2
159 33 38 GLU HB3 H 1.784 0.020 2
160 33 38 GLU HG2 H 2.235 0.020 2
161 33 38 GLU HG3 H 2.006 0.020 2
162 33 38 GLU CA C 55.457 0.150 1
163 33 38 GLU CB C 32.808 0.150 1
164 33 38 GLU CG C 37.338 0.150 1
165 33 38 GLU N N 128.405 0.150 1
166 34 39 ARG H H 9.133 0.020 1
167 34 39 ARG HA H 5.078 0.020 1
168 34 39 ARG HB2 H 0.549 0.020 2
169 34 39 ARG CA C 53.839 0.150 1
170 34 39 ARG CB C 35.021 0.150 1
171 34 39 ARG N N 125.835 0.150 1
172 35 40 ALA H H 8.871 0.020 1
173 35 40 ALA HA H 4.855 0.020 1
174 35 40 ALA HB H 1.321 0.020 1
175 35 40 ALA CA C 51.251 0.150 1
176 35 40 ALA CB C 18.500 0.150 1
177 35 40 ALA N N 125.924 0.150 1
178 36 41 CYS H H 9.222 0.020 1
179 36 41 CYS HA H 4.739 0.020 1
180 36 41 CYS HB2 H 2.618 0.020 2
181 36 41 CYS HB3 H 2.792 0.020 2
182 36 41 CYS CA C 58.046 0.150 1
183 36 41 CYS CB C 27.631 0.150 1
184 36 41 CYS N N 125.456 0.150 1
185 37 42 GLU H H 8.728 0.020 1
186 37 42 GLU HA H 4.304 0.020 1
187 37 42 GLU HB2 H 2.126 0.020 2
188 37 42 GLU HB3 H 2.287 0.020 2
189 37 42 GLU HG2 H 2.377 0.020 2
190 37 42 GLU HG3 H 2.506 0.020 2
191 37 42 GLU CA C 58.595 0.150 1
192 37 42 GLU CB C 31.514 0.150 1
193 37 42 GLU CG C 37.661 0.150 1
194 37 42 GLU N N 124.373 0.150 1
195 38 43 GLY H H 8.867 0.020 1
196 38 43 GLY HA2 H 4.599 0.020 2
197 38 43 GLY HA3 H 3.830 0.020 2
198 38 43 GLY CA C 44.301 0.150 1
199 38 43 GLY N N 111.912 0.150 1
200 39 44 GLY H H 9.005 0.020 1
201 39 44 GLY HA2 H 4.478 0.020 2
202 39 44 GLY HA3 H 3.800 0.020 2
203 39 44 GLY CA C 44.456 0.150 1
204 39 44 GLY N N 112.277 0.150 1
205 40 45 LYS H H 9.795 0.020 1
206 40 45 LYS HA H 5.056 0.020 1
207 40 45 LYS HB2 H 1.472 0.020 2
208 40 45 LYS HB3 H 1.587 0.020 2
209 40 45 LYS HG2 H 1.458 0.020 2
210 40 45 LYS HG3 H 1.646 0.020 2
211 40 45 LYS HD2 H 1.661 0.020 1
212 40 45 LYS HD3 H 1.661 0.020 1
213 40 45 LYS HE2 H 3.014 0.020 1
214 40 45 LYS HE3 H 3.014 0.020 1
215 40 45 LYS CA C 56.413 0.150 1
216 40 45 LYS CB C 34.749 0.150 1
217 40 45 LYS CG C 26.660 0.150 1
218 40 45 LYS CD C 29.572 0.150 1
219 40 45 LYS CE C 43.485 0.150 1
220 40 45 LYS N N 122.044 0.150 1
221 41 46 PHE H H 9.433 0.020 1
222 41 46 PHE HA H 5.152 0.020 1
223 41 46 PHE HB2 H 2.879 0.020 2
224 41 46 PHE HB3 H 2.961 0.020 2
225 41 46 PHE HD1 H 7.213 0.020 1
226 41 46 PHE HD2 H 7.213 0.020 1
227 41 46 PHE HE1 H 7.427 0.020 1
228 41 46 PHE HE2 H 7.427 0.020 1
229 41 46 PHE HZ H 7.551 0.020 1
230 41 46 PHE CA C 56.428 0.150 1
231 41 46 PHE CB C 44.132 0.150 1
232 41 46 PHE CD1 C 132.685 0.150 3
233 41 46 PHE CE1 C 131.918 0.150 3
234 41 46 PHE CZ C 130.365 0.150 1
235 41 46 PHE N N 120.638 0.150 1
236 42 47 ALA H H 9.601 0.020 1
237 42 47 ALA HA H 5.515 0.020 1
238 42 47 ALA HB H 1.157 0.020 1
239 42 47 ALA CA C 50.591 0.150 1
240 42 47 ALA CB C 20.513 0.150 1
241 42 47 ALA N N 123.418 0.150 1
242 43 48 THR H H 9.486 0.020 1
243 43 48 THR HA H 5.314 0.020 1
244 43 48 THR HB H 3.366 0.020 1
245 43 48 THR HG2 H 0.030 0.020 1
246 43 48 THR CA C 57.722 0.150 1
247 43 48 THR CB C 72.282 0.150 1
248 43 48 THR CG2 C 21.165 0.150 1
249 43 48 THR N N 114.115 0.150 1
250 44 49 VAL H H 6.871 0.020 1
251 44 49 VAL HA H 4.410 0.020 1
252 44 49 VAL HB H 1.668 0.020 1
253 44 49 VAL HG1 H 0.831 0.020 2
254 44 49 VAL HG2 H 0.893 0.020 2
255 44 49 VAL CA C 61.389 0.150 1
256 44 49 VAL CB C 37.529 0.150 1
257 44 49 VAL CG1 C 21.813 0.150 1
258 44 49 VAL CG2 C 22.777 0.150 1
259 44 49 VAL N N 116.073 0.150 1
260 45 50 GLU H H 9.112 0.020 1
261 45 50 GLU HA H 5.150 0.020 1
262 45 50 GLU HB2 H 1.970 0.020 2
263 45 50 GLU HB3 H 1.773 0.020 2
264 45 50 GLU HG2 H 2.273 0.020 1
265 45 50 GLU HG3 H 2.273 0.020 1
266 45 50 GLU CA C 55.536 0.150 1
267 45 50 GLU CB C 32.699 0.150 1
268 45 50 GLU CG C 37.338 0.150 1
269 45 50 GLU N N 129.978 0.150 1
270 46 51 VAL H H 8.771 0.020 1
271 46 51 VAL HA H 4.443 0.020 1
272 46 51 VAL HB H 1.750 0.020 1
273 46 51 VAL HG1 H 0.868 0.020 2
274 46 51 VAL HG2 H 0.972 0.020 2
275 46 51 VAL CA C 61.668 0.150 1
276 46 51 VAL CB C 35.743 0.150 1
277 46 51 VAL CG1 C 21.165 0.150 1
278 46 51 VAL CG2 C 22.136 0.150 1
279 46 51 VAL N N 126.103 0.150 1
280 47 52 THR H H 8.722 0.020 1
281 47 52 THR HA H 4.792 0.020 1
282 47 52 THR HB H 4.194 0.020 1
283 47 52 THR HG2 H 1.140 0.020 1
284 47 52 THR CA C 61.281 0.150 1
285 47 52 THR CB C 71.306 0.150 1
286 47 52 THR CG2 C 22.136 0.150 1
287 47 52 THR N N 119.899 0.150 1
288 48 53 ASP H H 8.213 0.020 1
289 48 53 ASP HA H 4.361 0.020 1
290 48 53 ASP HB2 H 2.925 0.020 2
291 48 53 ASP CA C 57.075 0.150 1
292 48 53 ASP CB C 39.754 0.150 1
293 48 53 ASP N N 115.298 0.150 1
294 49 54 LYS H H 7.793 0.020 1
295 49 54 LYS HA H 4.902 0.020 1
296 49 54 LYS HB2 H 1.338 0.020 2
297 49 54 LYS HB3 H 1.587 0.020 2
298 49 54 LYS HG2 H 1.606 0.020 2
299 49 54 LYS HD2 H 1.423 0.020 1
300 49 54 LYS HD3 H 1.423 0.020 1
301 49 54 LYS HE2 H 2.953 0.020 1
302 49 54 LYS HE3 H 2.953 0.020 1
303 49 54 LYS CA C 53.839 0.150 1
304 49 54 LYS CB C 35.720 0.150 1
305 49 54 LYS CE C 42.838 0.150 1
306 49 54 LYS N N 118.386 0.150 1
307 50 55 PRO HA H 4.697 0.020 1
308 50 55 PRO HB2 H 2.032 0.020 2
309 50 55 PRO HB3 H 2.154 0.020 2
310 50 55 PRO HG2 H 2.535 0.020 1
311 50 55 PRO HG3 H 2.535 0.020 1
312 50 55 PRO HD2 H 3.818 0.020 2
313 50 55 PRO HD3 H 3.669 0.020 2
314 50 55 PRO CA C 62.575 0.150 1
315 50 55 PRO CB C 32.808 0.150 1
316 50 55 PRO CD C 50.927 0.150 1
317 51 56 VAL H H 8.643 0.020 1
318 51 56 VAL HA H 3.494 0.020 1
319 51 56 VAL HB H 2.070 0.020 1
320 51 56 VAL HG1 H 0.980 0.020 2
321 51 56 VAL HG2 H 1.304 0.020 2
322 51 56 VAL CA C 68.070 0.150 1
323 51 56 VAL CB C 32.808 0.150 1
324 51 56 VAL CG1 C 20.842 0.150 1
325 51 56 VAL CG2 C 24.072 0.150 1
326 51 56 VAL N N 121.977 0.150 1
327 52 57 ASP H H 9.202 0.020 1
328 52 57 ASP HA H 4.450 0.020 1
329 52 57 ASP HB2 H 2.633 0.020 2
330 52 57 ASP HB3 H 2.729 0.020 2
331 52 57 ASP CA C 59.016 0.150 1
332 52 57 ASP CB C 41.220 0.150 1
333 52 57 ASP N N 117.101 0.150 1
334 53 58 GLU H H 7.216 0.020 1
335 53 58 GLU HA H 4.040 0.020 1
336 53 58 GLU HB2 H 1.961 0.020 2
337 53 58 GLU HG3 H 2.253 0.020 2
338 53 58 GLU CA C 58.486 0.150 1
339 53 58 GLU CB C 30.387 0.150 1
340 53 58 GLU N N 118.899 0.150 1
341 54 59 ALA H H 9.006 0.020 1
342 54 59 ALA HA H 3.823 0.020 1
343 54 59 ALA HB H 1.281 0.020 1
344 54 59 ALA CA C 55.457 0.150 1
345 54 59 ALA CB C 19.542 0.150 1
346 54 59 ALA N N 124.295 0.150 1
347 55 60 LEU H H 8.502 0.020 1
348 55 60 LEU HA H 3.645 0.020 1
349 55 60 LEU HB2 H 1.477 0.020 2
350 55 60 LEU HG H 1.371 0.020 1
351 55 60 LEU HD1 H 0.180 0.020 2
352 55 60 LEU HD2 H 0.378 0.020 2
353 55 60 LEU CA C 58.486 0.150 1
354 55 60 LEU CB C 42.442 0.150 1
355 55 60 LEU CG C 26.660 0.150 1
356 55 60 LEU CD1 C 23.748 0.150 1
357 55 60 LEU CD2 C 24.072 0.150 1
358 55 60 LEU N N 119.413 0.150 1
359 56 61 ARG H H 6.993 0.020 1
360 56 61 ARG HA H 4.041 0.020 1
361 56 61 ARG HB2 H 1.919 0.020 2
362 56 61 ARG HG2 H 1.916 0.020 2
363 56 61 ARG HG3 H 1.666 0.020 2
364 56 61 ARG HD2 H 3.250 0.020 1
365 56 61 ARG HD3 H 3.250 0.020 1
366 56 61 ARG CA C 58.874 0.150 1
367 56 61 ARG CB C 30.438 0.150 1
368 56 61 ARG CG C 28.278 0.150 1
369 56 61 ARG CD C 44.132 0.150 1
370 56 61 ARG N N 116.844 0.150 1
371 57 62 GLU H H 7.274 0.020 1
372 57 62 GLU HA H 4.262 0.020 1
373 57 62 GLU HB2 H 2.038 0.020 2
374 57 62 GLU HG2 H 2.239 0.020 1
375 57 62 GLU HG3 H 2.239 0.020 1
376 57 62 GLU CA C 57.700 0.150 1
377 57 62 GLU CB C 30.578 0.150 1
378 57 62 GLU CG C 36.691 0.150 1
379 57 62 GLU N N 117.101 0.150 1
380 58 63 ALA H H 8.326 0.020 1
381 58 63 ALA HA H 4.006 0.020 1
382 58 63 ALA HB H 1.222 0.020 1
383 58 63 ALA CA C 55.614 0.150 1
384 58 63 ALA CB C 21.233 0.150 1
385 58 63 ALA N N 120.441 0.150 1
386 59 64 MET H H 8.152 0.020 1
387 59 64 MET HA H 4.559 0.020 1
388 59 64 MET HB2 H 2.232 0.020 2
389 59 64 MET CA C 58.369 0.150 1
390 59 64 MET CB C 28.607 0.150 1
391 59 64 MET N N 115.046 0.150 1
392 60 65 PRO HA H 4.233 0.020 1
393 60 65 PRO HB2 H 2.363 0.020 2
394 60 65 PRO HB3 H 1.740 0.020 2
395 60 65 PRO HG2 H 2.218 0.020 2
396 60 65 PRO HG3 H 1.907 0.020 2
397 60 65 PRO HD2 H 3.400 0.020 2
398 60 65 PRO HD3 H 3.556 0.020 2
399 60 65 PRO CA C 66.452 0.150 1
400 60 65 PRO CB C 31.837 0.150 1
401 60 65 PRO CG C 28.925 0.150 1
402 60 65 PRO CD C 51.574 0.150 1
403 61 66 LYS H H 6.935 0.020 1
404 61 66 LYS HA H 4.010 0.020 1
405 61 66 LYS HB2 H 1.995 0.020 2
406 61 66 LYS HB3 H 1.620 0.020 2
407 61 66 LYS HG2 H 1.600 0.020 2
408 61 66 LYS HE2 H 2.956 0.020 1
409 61 66 LYS HE3 H 2.956 0.020 1
410 61 66 LYS CA C 59.960 0.150 1
411 61 66 LYS CB C 32.757 0.150 1
412 61 66 LYS CG C 26.013 0.150 1
413 61 66 LYS CE C 42.515 0.150 1
414 61 66 LYS N N 113.950 0.150 1
415 62 67 ILE H H 7.212 0.020 1
416 62 67 ILE HA H 3.638 0.020 1
417 62 67 ILE HB H 2.206 0.020 1
418 62 67 ILE HG12 H 1.309 0.020 2
419 62 67 ILE HG13 H 1.506 0.020 2
420 62 67 ILE HG2 H 0.223 0.020 1
421 62 67 ILE HD1 H 0.518 0.020 1
422 62 67 ILE CA C 61.928 0.150 1
423 62 67 ILE CB C 35.924 0.150 1
424 62 67 ILE CG1 C 27.307 0.150 1
425 62 67 ILE CG2 C 16.959 0.150 1
426 62 67 ILE CD1 C 9.517 0.150 1
427 62 67 ILE N N 120.184 0.150 1
428 63 68 MET H H 8.003 0.020 1
429 63 68 MET HA H 4.123 0.020 1
430 63 68 MET HB2 H 2.517 0.020 1
431 63 68 MET HB3 H 2.517 0.020 1
432 63 68 MET HG2 H 2.696 0.020 1
433 63 68 MET HG3 H 2.696 0.020 1
434 63 68 MET CA C 57.476 0.150 1
435 63 68 MET CB C 32.484 0.150 1
436 63 68 MET CG C 32.161 0.150 1
437 63 68 MET N N 116.370 0.150 1
438 64 69 LYS H H 8.236 0.020 1
439 64 69 LYS HA H 4.018 0.020 1
440 64 69 LYS HB2 H 1.892 0.020 2
441 64 69 LYS HG2 H 1.388 0.020 1
442 64 69 LYS HG3 H 1.388 0.020 1
443 64 69 LYS HD2 H 1.650 0.020 1
444 64 69 LYS HD3 H 1.650 0.020 1
445 64 69 LYS HE2 H 2.917 0.020 1
446 64 69 LYS HE3 H 2.917 0.020 1
447 64 69 LYS CA C 59.725 0.150 1
448 64 69 LYS CB C 32.161 0.150 1
449 64 69 LYS CG C 26.013 0.150 1
450 64 69 LYS CD C 29.572 0.150 1
451 64 69 LYS CE C 42.515 0.150 1
452 64 69 LYS N N 120.134 0.150 1
453 65 70 TYR H H 7.438 0.020 1
454 65 70 TYR HA H 4.491 0.020 1
455 65 70 TYR HB2 H 3.150 0.020 2
456 65 70 TYR HB3 H 3.344 0.020 2
457 65 70 TYR HD1 H 6.967 0.020 1
458 65 70 TYR HD2 H 6.967 0.020 1
459 65 70 TYR HE1 H 6.330 0.020 1
460 65 70 TYR HE2 H 6.330 0.020 1
461 65 70 TYR CA C 61.605 0.150 1
462 65 70 TYR CB C 37.839 0.150 1
463 65 70 TYR CD1 C 132.982 0.150 3
464 65 70 TYR CE1 C 117.941 0.150 3
465 65 70 TYR N N 122.703 0.150 1
466 66 71 VAL H H 7.952 0.020 1
467 66 71 VAL HA H 3.651 0.020 1
468 66 71 VAL HB H 2.315 0.020 1
469 66 71 VAL HG1 H 0.867 0.020 2
470 66 71 VAL HG2 H 0.836 0.020 2
471 66 71 VAL CA C 64.187 0.150 1
472 66 71 VAL CB C 31.514 0.150 1
473 66 71 VAL CG1 C 22.460 0.150 1
474 66 71 VAL CG2 C 21.165 0.150 1
475 66 71 VAL N N 113.247 0.150 1
476 67 72 GLY H H 7.609 0.020 1
477 67 72 GLY HA2 H 4.241 0.020 2
478 67 72 GLY HA3 H 3.680 0.020 2
479 67 72 GLY CA C 45.427 0.150 1
480 67 72 GLY N N 107.031 0.150 1
481 68 73 GLY H H 6.865 0.020 1
482 68 73 GLY HA2 H 4.369 0.020 2
483 68 73 GLY HA3 H 3.182 0.020 2
484 68 73 GLY CA C 44.824 0.150 1
485 68 73 GLY N N 105.283 0.150 1
486 69 74 THR H H 8.548 0.020 1
487 69 74 THR HA H 4.480 0.020 1
488 69 74 THR HB H 3.900 0.020 1
489 69 74 THR HG2 H 1.308 0.020 1
490 69 74 THR CA C 61.605 0.150 1
491 69 74 THR CB C 66.458 0.150 1
492 69 74 THR CG2 C 22.777 0.150 1
493 69 74 THR N N 122.239 0.150 1
494 70 75 ASN H H 8.294 0.020 1
495 70 75 ASN HA H 5.167 0.020 1
496 70 75 ASN HB2 H 2.916 0.020 2
497 70 75 ASN HB3 H 2.591 0.020 2
498 70 75 ASN CA C 52.545 0.150 1
499 70 75 ASN CB C 42.341 0.150 1
500 70 75 ASN N N 121.212 0.150 1
501 71 76 ASP H H 9.309 0.020 1
502 71 76 ASP HA H 4.256 0.020 1
503 71 76 ASP HB2 H 2.815 0.020 2
504 71 76 ASP HB3 H 2.943 0.020 2
505 71 76 ASP CA C 57.398 0.150 1
506 71 76 ASP CB C 40.711 0.150 1
507 71 76 ASP N N 120.441 0.150 1
508 72 77 LYS H H 7.666 0.020 1
509 72 77 LYS HA H 4.539 0.020 1
510 72 77 LYS HB2 H 2.020 0.020 2
511 72 77 LYS HB3 H 1.563 0.020 2
512 72 77 LYS HG2 H 1.588 0.020 1
513 72 77 LYS HG3 H 1.588 0.020 1
514 72 77 LYS HD2 H 1.658 0.020 1
515 72 77 LYS HD3 H 1.658 0.020 1
516 72 77 LYS HE2 H 2.990 0.020 1
517 72 77 LYS HE3 H 2.990 0.020 1
518 72 77 LYS CA C 54.810 0.150 1
519 72 77 LYS CB C 34.102 0.150 1
520 72 77 LYS CG C 24.719 0.150 1
521 72 77 LYS CE C 42.515 0.150 1
522 72 77 LYS N N 117.872 0.150 1
523 73 78 GLY H H 7.931 0.020 1
524 73 78 GLY HA2 H 4.258 0.020 2
525 73 78 GLY HA3 H 3.865 0.020 2
526 73 78 GLY CA C 46.721 0.150 1
527 73 78 GLY N N 112.477 0.150 1
528 74 79 VAL H H 7.675 0.020 1
529 74 79 VAL HA H 4.348 0.020 1
530 74 79 VAL HB H 1.798 0.020 1
531 74 79 VAL HG1 H 0.858 0.020 2
532 74 79 VAL HG2 H 0.701 0.020 2
533 74 79 VAL CA C 60.310 0.150 1
534 74 79 VAL CB C 34.980 0.150 1
535 74 79 VAL CG1 C 21.165 0.150 1
536 74 79 VAL CG2 C 21.165 0.150 1
537 74 79 VAL N N 115.816 0.150 1
538 75 80 GLY H H 8.484 0.020 1
539 75 80 GLY HA2 H 4.222 0.020 2
540 75 80 GLY HA3 H 3.387 0.020 2
541 75 80 GLY CA C 44.780 0.150 1
542 75 80 GLY N N 113.761 0.150 1
543 76 81 MET H H 8.772 0.020 1
544 76 81 MET HA H 4.242 0.020 1
545 76 81 MET HB2 H 2.025 0.020 2
546 76 81 MET CA C 55.640 0.150 1
547 76 81 MET CB C 36.367 0.150 1
548 76 81 MET N N 122.496 0.150 1
549 77 82 GLY H H 7.924 0.020 1
550 77 82 GLY HA2 H 4.084 0.020 2
551 77 82 GLY HA3 H 3.771 0.020 2
552 77 82 GLY CA C 44.780 0.150 1
553 77 82 GLY N N 106.517 0.150 1
554 78 83 MET H H 7.846 0.020 1
555 78 83 MET HA H 4.961 0.020 1
556 78 83 MET HB2 H 1.748 0.020 2
557 78 83 MET CA C 54.163 0.150 1
558 78 83 MET CB C 34.501 0.150 1
559 78 83 MET N N 113.110 0.150 1
560 79 84 THR H H 8.549 0.020 1
561 79 84 THR HA H 5.026 0.020 1
562 79 84 THR HB H 3.805 0.020 1
563 79 84 THR HG2 H 1.031 0.020 1
564 79 84 THR CA C 61.383 0.150 1
565 79 84 THR CB C 69.730 0.150 1
566 79 84 THR CG2 C 22.136 0.150 1
567 79 84 THR N N 118.078 0.150 1
568 81 86 PRO HA H 4.594 0.020 1
569 81 86 PRO HB2 H 2.361 0.020 2
570 81 86 PRO HB3 H 2.013 0.020 2
571 81 86 PRO HD2 H 3.899 0.020 2
572 81 86 PRO HD3 H 3.664 0.020 2
573 81 86 PRO CA C 63.223 0.150 1
574 81 86 PRO CB C 31.514 0.150 1
575 81 86 PRO CD C 51.574 0.150 1
576 82 87 VAL H H 8.447 0.020 1
577 82 87 VAL HA H 4.647 0.020 1
578 82 87 VAL HB H 2.296 0.020 1
579 82 87 VAL HG1 H 1.309 0.020 2
580 82 87 VAL HG2 H 1.365 0.020 2
581 82 87 VAL CA C 63.546 0.150 1
582 82 87 VAL CB C 32.808 0.150 1
583 82 87 VAL CG1 C 22.136 0.150 1
584 82 87 VAL CG2 C 22.777 0.150 1
585 82 87 VAL N N 118.903 0.150 1
586 83 88 SER H H 7.615 0.020 1
587 83 88 SER HA H 5.848 0.020 1
588 83 88 SER HB2 H 3.636 0.020 2
589 83 88 SER HB3 H 3.445 0.020 2
590 83 88 SER CA C 56.428 0.150 1
591 83 88 SER CB C 70.335 0.150 1
592 83 88 SER N N 120.740 0.150 1
593 84 89 PHE H H 9.114 0.020 1
594 84 89 PHE HA H 5.757 0.020 1
595 84 89 PHE HB2 H 3.231 0.020 2
596 84 89 PHE HB3 H 2.700 0.020 2
597 84 89 PHE HD1 H 6.714 0.020 1
598 84 89 PHE HD2 H 6.714 0.020 1
599 84 89 PHE HZ H 6.823 0.020 1
600 84 89 PHE CA C 55.884 0.150 1
601 84 89 PHE CB C 40.673 0.150 1
602 84 89 PHE CD1 C 133.604 0.150 3
603 84 89 PHE CZ C 130.952 0.150 1
604 84 89 PHE N N 115.816 0.150 1
605 85 90 ALA H H 9.997 0.020 1
606 85 90 ALA HA H 4.288 0.020 1
607 85 90 ALA HB H 1.215 0.020 1
608 85 90 ALA CA C 51.574 0.150 1
609 85 90 ALA CB C 21.483 0.150 1
610 85 90 ALA N N 127.762 0.150 1
611 86 91 VAL H H 7.918 0.020 1
612 86 91 VAL HA H 4.452 0.020 1
613 86 91 VAL HB H 2.117 0.020 1
614 86 91 VAL HG1 H -0.374 0.020 2
615 86 91 VAL HG2 H 0.871 0.020 2
616 86 91 VAL CA C 59.300 0.150 1
617 86 91 VAL CB C 34.426 0.150 1
618 86 91 VAL CG1 C 18.253 0.150 1
619 86 91 VAL CG2 C 23.101 0.150 1
620 86 91 VAL N N 111.963 0.150 1
621 87 92 PHE H H 9.080 0.020 1
622 87 92 PHE HA H 5.046 0.020 1
623 87 92 PHE HB2 H 2.726 0.020 2
624 87 92 PHE HB3 H 2.970 0.020 2
625 87 92 PHE HD1 H 7.240 0.020 1
626 87 92 PHE HD2 H 7.240 0.020 1
627 87 92 PHE HE1 H 7.049 0.020 1
628 87 92 PHE HE2 H 7.049 0.020 1
629 87 92 PHE CA C 55.457 0.150 1
630 87 92 PHE CB C 41.220 0.150 1
631 87 92 PHE CD1 C 133.001 0.150 3
632 87 92 PHE CE1 C 131.283 0.150 3
633 87 92 PHE N N 116.844 0.150 1
634 88 93 PRO HA H 4.979 0.020 1
635 88 93 PRO HB2 H 2.265 0.020 2
636 88 93 PRO HG2 H 2.200 0.020 2
637 88 93 PRO HG3 H 1.879 0.020 2
638 88 93 PRO HD2 H 3.157 0.020 2
639 88 93 PRO HD3 H 3.753 0.020 2
640 88 93 PRO CA C 62.899 0.150 1
641 88 93 PRO CB C 33.455 0.150 1
642 88 93 PRO CG C 27.307 0.150 1
643 88 93 PRO CD C 50.604 0.150 1
644 89 94 ASN H H 9.376 0.020 1
645 89 94 ASN HA H 4.977 0.020 1
646 89 94 ASN HB2 H 2.819 0.020 2
647 89 94 ASN N N 119.883 0.150 1
648 91 96 ASP H H 7.862 0.020 1
649 91 96 ASP HA H 4.549 0.020 1
650 91 96 ASP HB2 H 3.102 0.020 2
651 91 96 ASP HB3 H 2.642 0.020 2
652 91 96 ASP CA C 53.839 0.150 1
653 91 96 ASP CB C 40.573 0.150 1
654 91 96 ASP N N 115.103 0.150 1
655 92 97 GLY H H 7.976 0.020 1
656 92 97 GLY HA2 H 4.426 0.020 2
657 92 97 GLY HA3 H 3.610 0.020 2
658 92 97 GLY CA C 45.427 0.150 1
659 92 97 GLY N N 109.650 0.150 1
660 93 98 SER H H 8.109 0.020 1
661 93 98 SER CA C 58.651 0.150 1
662 93 98 SER CB C 64.733 0.150 1
663 93 98 SER N N 115.303 0.150 1
664 94 99 LEU H H 8.521 0.020 1
665 94 99 LEU CA C 56.288 0.150 1
666 94 99 LEU CB C 42.010 0.150 1
667 94 99 LEU N N 119.418 0.150 1
668 95 100 GLN H H 8.663 0.020 1
669 95 100 GLN HA H 4.652 0.020 1
670 95 100 GLN CA C 56.104 0.150 1
671 95 100 GLN CB C 31.427 0.150 1
672 95 100 GLN N N 119.106 0.150 1
673 96 101 LYS H H 8.100 0.020 1
674 96 101 LYS HA H 4.850 0.020 1
675 96 101 LYS HB2 H 1.945 0.020 2
676 96 101 LYS HG2 H 2.253 0.020 2
677 96 101 LYS CA C 54.475 0.150 1
678 96 101 LYS CB C 31.168 0.150 1
679 96 101 LYS N N 118.049 0.150 1
680 97 102 LYS H H 7.873 0.020 1
681 97 102 LYS CA C 56.577 0.150 1
682 97 102 LYS CB C 35.509 0.150 1
683 97 102 LYS N N 121.595 0.150 1
684 98 103 LEU H H 8.646 0.020 1
685 98 103 LEU HA H 5.315 0.020 1
686 98 103 LEU HB2 H 1.771 0.020 2
687 98 103 LEU HG H 1.668 0.020 1
688 98 103 LEU HD1 H 0.802 0.020 2
689 98 103 LEU HD2 H 0.584 0.020 2
690 98 103 LEU CA C 55.496 0.150 1
691 98 103 LEU CB C 47.045 0.150 1
692 98 103 LEU CG C 26.984 0.150 1
693 98 103 LEU CD1 C 26.984 0.150 1
694 98 103 LEU CD2 C 27.631 0.150 1
695 98 103 LEU N N 123.267 0.150 1
696 99 104 LYS H H 8.252 0.020 1
697 99 104 LYS HA H 5.496 0.020 1
698 99 104 LYS HB2 H 2.236 0.020 2
699 99 104 LYS HB3 H 1.820 0.020 2
700 99 104 LYS HG2 H 0.767 0.020 2
701 99 104 LYS CA C 56.274 0.150 1
702 99 104 LYS CB C 36.658 0.150 1
703 99 104 LYS N N 124.295 0.150 1
704 100 105 VAL H H 9.367 0.020 1
705 100 105 VAL HA H 4.370 0.020 1
706 100 105 VAL HB H 1.940 0.020 1
707 100 105 VAL HG1 H 1.191 0.020 2
708 100 105 VAL HG2 H 0.903 0.020 2
709 100 105 VAL CA C 63.847 0.150 1
710 100 105 VAL CB C 33.765 0.150 1
711 100 105 VAL CG1 C 21.813 0.150 1
712 100 105 VAL CG2 C 23.748 0.150 1
713 100 105 VAL N N 130.461 0.150 1
714 101 106 TRP H H 9.151 0.020 1
715 101 106 TRP HA H 4.570 0.020 1
716 101 106 TRP HB2 H 3.081 0.020 2
717 101 106 TRP HB3 H 2.801 0.020 2
718 101 106 TRP HD1 H 7.315 0.020 1
719 101 106 TRP HE1 H 10.466 0.020 1
720 101 106 TRP HE3 H 6.575 0.020 1
721 101 106 TRP HZ2 H 7.543 0.020 1
722 101 106 TRP HZ3 H 6.385 0.020 1
723 101 106 TRP HH2 H 7.101 0.020 1
724 101 106 TRP CA C 57.757 0.150 1
725 101 106 TRP CB C 30.748 0.150 1
726 101 106 TRP CD1 C 126.741 0.150 1
727 101 106 TRP CE3 C 120.529 0.150 1
728 101 106 TRP CZ2 C 114.318 0.150 1
729 101 106 TRP CZ3 C 121.565 0.150 1
730 101 106 TRP CH2 C 125.188 0.150 1
731 101 106 TRP N N 125.836 0.150 1
732 101 106 TRP NE1 N 128.120 0.150 1
733 102 107 PHE H H 8.843 0.020 1
734 102 107 PHE HA H 5.417 0.020 1
735 102 107 PHE HB2 H 3.648 0.020 2
736 102 107 PHE HB3 H 2.817 0.020 2
737 102 107 PHE HD1 H 7.231 0.020 1
738 102 107 PHE HD2 H 7.231 0.020 1
739 102 107 PHE CA C 55.339 0.150 1
740 102 107 PHE CB C 41.220 0.150 1
741 102 107 PHE CD1 C 132.725 0.150 3
742 102 107 PHE N N 127.121 0.150 1
743 103 108 ARG H H 8.303 0.020 1
744 103 108 ARG HA H 2.893 0.020 1
745 103 108 ARG HB2 H 0.474 0.020 2
746 103 108 ARG HB3 H 0.849 0.020 2
747 103 108 ARG HG2 H -0.397 0.020 2
748 103 108 ARG HG3 H -0.507 0.020 2
749 103 108 ARG HD2 H 2.190 0.020 2
750 103 108 ARG HD3 H 1.206 0.020 2
751 103 108 ARG CA C 56.751 0.150 1
752 103 108 ARG CB C 28.602 0.150 1
753 103 108 ARG CG C 28.602 0.150 1
754 103 108 ARG CD C 41.868 0.150 1
755 103 108 ARG N N 131.488 0.150 1
756 104 109 ILE H H 7.206 0.020 1
757 104 109 ILE HA H 3.794 0.020 1
758 104 109 ILE HB H 1.579 0.020 1
759 104 109 ILE HG12 H 1.366 0.020 1
760 104 109 ILE HG13 H 1.366 0.020 1
761 104 109 ILE HG2 H 0.970 0.020 1
762 104 109 ILE HD1 H 0.971 0.020 1
763 104 109 ILE CA C 58.693 0.150 1
764 104 109 ILE CB C 37.014 0.150 1
765 104 109 ILE CG1 C 28.925 0.150 1
766 104 109 ILE CG2 C 16.959 0.150 1
767 104 109 ILE CD1 C 12.106 0.150 1
768 104 109 ILE N N 129.433 0.150 1
769 106 111 ASN H H 6.962 0.020 1
770 106 111 ASN HA H 4.958 0.020 1
771 106 111 ASN HB2 H 2.899 0.020 2
772 106 111 ASN HB3 H 3.120 0.020 2
773 106 111 ASN CA C 55.781 0.150 1
774 106 111 ASN CB C 40.667 0.150 1
775 106 111 ASN N N 116.380 0.150 1
776 107 112 GLN H H 7.805 0.020 1
777 107 112 GLN HA H 4.386 0.020 1
778 107 112 GLN HB2 H 2.083 0.020 2
779 107 112 GLN CA C 59.232 0.150 1
780 107 112 GLN CB C 29.004 0.150 1
781 107 112 GLN N N 120.955 0.150 1
782 108 113 PHE H H 8.319 0.020 1
783 108 113 PHE CA C 58.168 0.150 1
784 108 113 PHE CB C 41.036 0.150 1
785 108 113 PHE N N 123.524 0.150 1
786 109 114 GLN H H 8.308 0.020 1
787 109 114 GLN HA H 3.352 0.020 1
788 109 114 GLN HB2 H 1.893 0.020 2
789 109 114 GLN CA C 61.162 0.150 1
790 109 114 GLN CB C 26.541 0.150 1
791 109 114 GLN N N 118.806 0.150 1
792 110 115 GLY H H 8.117 0.020 1
793 110 115 GLY HA2 H 3.692 0.020 2
794 110 115 GLY HA3 H 3.853 0.020 2
795 110 115 GLY CA C 47.045 0.150 1
796 110 115 GLY N N 115.305 0.150 1
797 111 116 SER H H 7.262 0.020 1
798 111 116 SER HA H 4.664 0.020 1
799 111 116 SER HB2 H 3.833 0.020 1
800 111 116 SER HB3 H 3.833 0.020 1
801 111 116 SER CA C 58.693 0.150 1
802 111 116 SER N N 112.277 0.150 1
803 112 117 PRO HA H 4.833 0.020 1
804 112 117 PRO HB2 H 2.261 0.020 2
805 112 117 PRO HB3 H 1.923 0.020 2
806 112 117 PRO HG2 H 1.995 0.020 2
807 112 117 PRO HD2 H 3.635 0.020 2
808 112 117 PRO CA C 61.928 0.150 1
809 112 117 PRO CB C 30.866 0.150 1
810 112 117 PRO CD C 49.633 0.150 1
811 113 118 PRO HA H 4.529 0.020 1
812 113 118 PRO HB2 H 2.107 0.020 2
813 113 118 PRO HB3 H 1.646 0.020 2
814 113 118 PRO HG2 H 1.471 0.020 2
815 113 118 PRO HG3 H 1.652 0.020 2
816 113 118 PRO HD2 H 3.890 0.020 2
817 113 118 PRO HD3 H 3.394 0.020 2
818 113 118 PRO CA C 62.575 0.150 1
819 113 118 PRO CB C 32.808 0.150 1
820 113 118 PRO CG C 28.278 0.150 1
821 113 118 PRO CD C 50.604 0.150 1
822 114 119 ALA H H 8.881 0.020 1
823 114 119 ALA HA H 4.672 0.020 1
824 114 119 ALA HB H 1.346 0.020 1
825 114 119 ALA CA C 50.604 0.150 1
826 114 119 ALA CB C 18.544 0.150 1
827 114 119 ALA N N 129.627 0.150 1
828 115 120 PRO HA H 4.247 0.020 1
829 115 120 PRO HB2 H 2.148 0.020 2
830 115 120 PRO HB3 H 2.249 0.020 2
831 115 120 PRO CA C 64.187 0.150 1
832 115 120 PRO CB C 32.484 0.150 1
833 116 121 SER H H 7.633 0.020 1
834 116 121 SER HA H 4.508 0.020 1
835 116 121 SER HB2 H 3.477 0.020 2
836 116 121 SER HB3 H 3.864 0.020 2
837 116 121 SER CA C 59.785 0.150 1
838 116 121 SER CB C 63.514 0.150 1
839 116 121 SER N N 119.112 0.150 1
840 117 122 ASP H H 8.075 0.020 1
841 117 122 ASP HA H 4.602 0.020 1
842 117 122 ASP HB2 H 2.426 0.020 2
843 117 122 ASP HB3 H 2.949 0.020 2
844 117 122 ASP CA C 53.446 0.150 1
845 117 122 ASP CB C 42.213 0.150 1
846 117 122 ASP N N 123.260 0.150 1
847 118 123 GLU H H 8.627 0.020 1
848 118 123 GLU HA H 4.133 0.020 1
849 118 123 GLU HB2 H 2.057 0.020 2
850 118 123 GLU HB3 H 2.143 0.020 2
851 118 123 GLU HG2 H 2.323 0.020 1
852 118 123 GLU HG3 H 2.323 0.020 1
853 118 123 GLU CA C 58.693 0.150 1
854 118 123 GLU CB C 29.588 0.150 1
855 118 123 GLU CG C 36.691 0.150 1
856 118 123 GLU N N 124.242 0.150 1
857 119 124 SER H H 8.916 0.020 1
858 119 124 SER HA H 4.299 0.020 1
859 119 124 SER HB2 H 4.255 0.020 2
860 119 124 SER HB3 H 3.858 0.020 2
861 119 124 SER CA C 60.409 0.150 1
862 119 124 SER CB C 64.311 0.150 1
863 119 124 SER N N 115.560 0.150 1
864 120 125 VAL H H 7.838 0.020 1
865 120 125 VAL HA H 4.508 0.020 1
866 120 125 VAL HB H 2.006 0.020 1
867 120 125 VAL HG1 H 0.678 0.020 2
868 120 125 VAL HG2 H 0.358 0.020 2
869 120 125 VAL CA C 61.140 0.150 1
870 120 125 VAL CB C 31.837 0.150 1
871 120 125 VAL CG1 C 21.813 0.150 1
872 120 125 VAL CG2 C 21.165 0.150 1
873 120 125 VAL N N 124.038 0.150 1
874 121 126 LYS H H 8.654 0.020 1
875 121 126 LYS HA H 4.563 0.020 1
876 121 126 LYS HB2 H 1.523 0.020 2
877 121 126 LYS HB3 H 1.707 0.020 2
878 121 126 LYS HG2 H 1.269 0.020 2
879 121 126 LYS HD2 H 1.550 0.020 1
880 121 126 LYS HD3 H 1.550 0.020 1
881 121 126 LYS HE2 H 2.900 0.020 1
882 121 126 LYS HE3 H 2.900 0.020 1
883 121 126 LYS CA C 53.839 0.150 1
884 121 126 LYS CB C 34.687 0.150 1
885 121 126 LYS CG C 25.042 0.150 1
886 121 126 LYS CD C 28.925 0.150 1
887 121 126 LYS N N 124.808 0.150 1
888 122 127 ILE H H 8.298 0.020 1
889 122 127 ILE HA H 5.355 0.020 1
890 122 127 ILE HB H 2.042 0.020 1
891 122 127 ILE HG12 H 1.416 0.020 2
892 122 127 ILE HG13 H 1.327 0.020 2
893 122 127 ILE HG2 H 0.823 0.020 1
894 122 127 ILE HD1 H 0.647 0.020 1
895 122 127 ILE CA C 57.722 0.150 1
896 122 127 ILE CB C 35.720 0.150 1
897 122 127 ILE CG1 C 26.660 0.150 1
898 122 127 ILE CG2 C 17.283 0.150 1
899 122 127 ILE CD1 C 9.194 0.150 1
900 122 127 ILE N N 120.904 0.150 1
901 123 128 GLU H H 9.355 0.020 1
902 123 128 GLU HA H 4.924 0.020 1
903 123 128 GLU HB2 H 1.778 0.020 2
904 123 128 GLU HB3 H 2.252 0.020 2
905 123 128 GLU HG2 H 2.045 0.020 2
906 123 128 GLU HG3 H 1.953 0.020 2
907 123 128 GLU CA C 55.457 0.150 1
908 123 128 GLU CB C 35.170 0.150 1
909 123 128 GLU CG C 37.338 0.150 1
910 123 128 GLU N N 127.378 0.150 1
911 124 129 GLU H H 8.808 0.020 1
912 124 129 GLU HA H 5.509 0.020 1
913 124 129 GLU HB2 H 1.946 0.020 2
914 124 129 GLU HB3 H 2.072 0.020 2
915 124 129 GLU HG2 H 2.231 0.020 2
916 124 129 GLU CA C 55.133 0.150 1
917 124 129 GLU CB C 32.808 0.150 1
918 124 129 GLU CG C 37.338 0.150 1
919 124 129 GLU N N 121.982 0.150 1
920 125 130 ARG H H 9.196 0.020 1
921 125 130 ARG HA H 4.584 0.020 1
922 125 130 ARG HB2 H 1.563 0.020 2
923 125 130 ARG CA C 56.007 0.150 1
924 125 130 ARG CB C 34.102 0.150 1
925 125 130 ARG N N 123.781 0.150 1
926 126 131 GLU H H 8.760 0.020 1
927 126 131 GLU HA H 4.658 0.020 1
928 126 131 GLU CA C 56.104 0.150 1
929 126 131 GLU CB C 30.611 0.150 1
930 126 131 GLU N N 124.038 0.150 1
931 127 132 GLY H H 8.568 0.020 1
932 127 132 GLY HA2 H 4.090 0.020 2
933 127 132 GLY HA3 H 3.878 0.020 2
934 127 132 GLY CA C 46.721 0.150 1
935 127 132 GLY N N 107.338 0.150 1
936 128 133 ILE H H 7.593 0.020 1
937 128 133 ILE HA H 4.697 0.020 1
938 128 133 ILE HB H 1.574 0.020 1
939 128 133 ILE HG12 H 1.134 0.020 2
940 128 133 ILE HG13 H 0.906 0.020 2
941 128 133 ILE HG2 H 0.694 0.020 1
942 128 133 ILE HD1 H 0.365 0.020 1
943 128 133 ILE CA C 59.987 0.150 1
944 128 133 ILE CB C 42.665 0.150 1
945 128 133 ILE CG1 C 25.366 0.150 1
946 128 133 ILE CG2 C 16.959 0.150 1
947 128 133 ILE CD1 C 14.047 0.150 1
948 128 133 ILE N N 115.046 0.150 1
949 129 134 THR H H 8.603 0.020 1
950 129 134 THR HA H 5.470 0.020 1
951 129 134 THR HB H 3.798 0.020 1
952 129 134 THR HG2 H 0.834 0.020 1
953 129 134 THR CA C 61.281 0.150 1
954 129 134 THR CB C 69.265 0.150 1
955 129 134 THR CG2 C 22.777 0.150 1
956 129 134 THR N N 121.849 0.150 1
957 130 135 VAL H H 8.605 0.020 1
958 130 135 VAL HA H 5.289 0.020 1
959 130 135 VAL HB H 1.653 0.020 1
960 130 135 VAL HG1 H -0.518 0.020 2
961 130 135 VAL HG2 H 0.528 0.020 2
962 130 135 VAL CA C 57.398 0.150 1
963 130 135 VAL CB C 36.043 0.150 1
964 130 135 VAL CG1 C 16.959 0.150 1
965 130 135 VAL CG2 C 21.489 0.150 1
966 130 135 VAL N N 116.844 0.150 1
967 131 136 TYR H H 9.092 0.020 1
968 131 136 TYR HA H 5.018 0.020 1
969 131 136 TYR HB2 H 2.321 0.020 2
970 131 136 TYR HB3 H 2.318 0.020 2
971 131 136 TYR HD1 H 6.591 0.020 1
972 131 136 TYR HD2 H 6.591 0.020 1
973 131 136 TYR HE1 H 6.664 0.020 1
974 131 136 TYR HE2 H 6.664 0.020 1
975 131 136 TYR CA C 56.625 0.150 1
976 131 136 TYR CB C 40.543 0.150 1
977 131 136 TYR CD1 C 133.006 0.150 3
978 131 136 TYR CE1 C 117.663 0.150 3
979 131 136 TYR N N 119.156 0.150 1
980 132 137 SER H H 9.185 0.020 1
981 132 137 SER HA H 6.096 0.020 1
982 132 137 SER HB2 H 3.133 0.020 2
983 132 137 SER HB3 H 2.927 0.020 2
984 132 137 SER CA C 56.428 0.150 1
985 132 137 SER CB C 65.811 0.150 1
986 132 137 SER N N 116.537 0.150 1
987 133 138 THR H H 8.484 0.020 1
988 133 138 THR HA H 5.103 0.020 1
989 133 138 THR HB H 4.162 0.020 1
990 133 138 THR HG2 H 1.340 0.020 1
991 133 138 THR CA C 61.605 0.150 1
992 133 138 THR CB C 71.629 0.150 1
993 133 138 THR CG2 C 20.195 0.150 1
994 133 138 THR N N 120.698 0.150 1
995 134 139 GLN H H 8.497 0.020 1
996 134 139 GLN HA H 5.908 0.020 1
997 134 139 GLN HB2 H 2.164 0.020 2
998 134 139 GLN HG2 H 2.445 0.020 2
999 134 139 GLN HG3 H 2.294 0.020 2
1000 134 139 GLN CA C 54.486 0.150 1
1001 134 139 GLN CB C 33.904 0.150 1
1002 134 139 GLN CG C 35.073 0.150 1
1003 134 139 GLN N N 126.300 0.150 1
1004 135 140 PHE H H 9.049 0.020 1
1005 135 140 PHE HA H 4.981 0.020 1
1006 135 140 PHE HB2 H 2.732 0.020 2
1007 135 140 PHE HE1 H 6.919 0.020 1
1008 135 140 PHE HE2 H 6.919 0.020 1
1009 135 140 PHE HZ H 6.638 0.020 1
1010 135 140 PHE CA C 56.301 0.150 1
1011 135 140 PHE CB C 40.573 0.150 1
1012 135 140 PHE CE1 C 129.938 0.150 3
1013 135 140 PHE CZ C 128.812 0.150 1
1014 135 140 PHE N N 122.239 0.150 1
1015 136 141 GLY HA2 H 3.860 0.020 2
1016 136 141 GLY HA3 H 4.176 0.020 2
1017 136 141 GLY CA C 44.456 0.150 1
1018 137 142 GLY H H 7.649 0.020 1
1019 137 142 GLY HA2 H 4.715 0.020 2
1020 137 142 GLY HA3 H 3.806 0.020 2
1021 137 142 GLY CA C 44.043 0.150 1
1022 137 142 GLY N N 104.976 0.150 1
1023 138 143 TYR HA H 4.528 0.020 1
1024 138 143 TYR HB2 H 2.628 0.020 2
1025 138 143 TYR HB3 H 3.041 0.020 2
1026 138 143 TYR HD1 H 7.053 0.020 1
1027 138 143 TYR HD2 H 7.053 0.020 1
1028 138 143 TYR HE1 H 6.811 0.020 1
1029 138 143 TYR HE2 H 6.811 0.020 1
1030 138 143 TYR CA C 58.046 0.150 1
1031 138 143 TYR CB C 37.730 0.150 1
1032 138 143 TYR CD1 C 132.953 0.150 3
1033 138 143 TYR CE1 C 118.536 0.150 3
1034 139 144 ALA H H 8.454 0.020 1
1035 139 144 ALA HA H 4.480 0.020 1
1036 139 144 ALA HB H 0.985 0.020 1
1037 139 144 ALA CA C 52.415 0.150 1
1038 139 144 ALA CB C 19.844 0.150 1
1039 139 144 ALA N N 129.690 0.150 1
1040 140 145 LYS H H 9.534 0.020 1
1041 140 145 LYS HA H 4.964 0.020 1
1042 140 145 LYS HB2 H 1.798 0.020 2
1043 140 145 LYS HB3 H 1.925 0.020 2
1044 140 145 LYS HG2 H 2.221 0.020 2
1045 140 145 LYS HD2 H 2.319 0.020 2
1046 140 145 LYS HE2 H 3.018 0.020 1
1047 140 145 LYS HE3 H 3.018 0.020 1
1048 140 145 LYS CA C 54.486 0.150 1
1049 140 145 LYS CB C 35.357 0.150 1
1050 140 145 LYS CE C 42.515 0.150 1
1051 140 145 LYS N N 124.295 0.150 1
1052 141 146 GLU H H 10.558 0.020 1
1053 141 146 GLU HA H 4.634 0.020 1
1054 141 146 GLU CA C 62.098 0.150 1
1055 141 146 GLU CB C 30.066 0.150 1
1056 141 146 GLU N N 125.579 0.150 1
1057 142 147 ALA H H 8.610 0.020 1
1058 142 147 ALA HA H 4.085 0.020 1
1059 142 147 ALA HB H 1.415 0.020 1
1060 142 147 ALA CA C 55.869 0.150 1
1061 142 147 ALA CB C 18.989 0.150 1
1062 142 147 ALA N N 115.816 0.150 1
1063 143 148 ASP H H 7.925 0.020 1
1064 143 148 ASP HA H 4.521 0.020 1
1065 143 148 ASP HB2 H 2.715 0.020 2
1066 143 148 ASP CA C 57.154 0.150 1
1067 143 148 ASP CB C 42.365 0.150 1
1068 143 148 ASP N N 116.844 0.150 1
1069 144 149 TYR H H 7.915 0.020 1
1070 144 149 TYR HA H 4.353 0.020 1
1071 144 149 TYR HB2 H 3.214 0.020 2
1072 144 149 TYR HB3 H 3.506 0.020 2
1073 144 149 TYR HD1 H 7.139 0.020 1
1074 144 149 TYR HD2 H 7.139 0.020 1
1075 144 149 TYR HE1 H 6.737 0.020 1
1076 144 149 TYR HE2 H 6.737 0.020 1
1077 144 149 TYR CA C 62.536 0.150 1
1078 144 149 TYR CB C 38.348 0.150 1
1079 144 149 TYR CD1 C 133.780 0.150 3
1080 144 149 TYR CE1 C 117.941 0.150 3
1081 144 149 TYR N N 120.721 0.150 1
1082 145 150 VAL H H 8.348 0.020 1
1083 145 150 VAL HA H 3.867 0.020 1
1084 145 150 VAL HB H 2.078 0.020 1
1085 145 150 VAL HG1 H 1.275 0.020 2
1086 145 150 VAL HG2 H 0.946 0.020 2
1087 145 150 VAL CA C 66.458 0.150 1
1088 145 150 VAL CB C 32.761 0.150 1
1089 145 150 VAL CG1 C 22.777 0.150 1
1090 145 150 VAL CG2 C 20.842 0.150 1
1091 145 150 VAL N N 118.386 0.150 1
1092 146 151 ALA H H 8.046 0.020 1
1093 146 151 ALA HA H 4.058 0.020 1
1094 146 151 ALA HB H 1.343 0.020 1
1095 146 151 ALA CA C 55.781 0.150 1
1096 146 151 ALA CB C 18.172 0.150 1
1097 146 151 ALA N N 123.010 0.150 1
1098 147 152 HIS H H 8.066 0.020 1
1099 147 152 HIS HA H 4.104 0.020 1
1100 147 152 HIS HB2 H 2.359 0.020 2
1101 147 152 HIS CA C 61.389 0.150 1
1102 147 152 HIS CB C 29.896 0.150 1
1103 147 152 HIS N N 116.330 0.150 1
1104 148 153 ALA H H 8.570 0.020 1
1105 148 153 ALA HA H 3.771 0.020 1
1106 148 153 ALA HB H 1.041 0.020 1
1107 148 153 ALA CA C 56.428 0.150 1
1108 148 153 ALA CB C 17.601 0.150 1
1109 148 153 ALA N N 124.808 0.150 1
1110 149 154 THR H H 8.117 0.020 1
1111 149 154 THR HA H 3.711 0.020 1
1112 149 154 THR HB H 4.299 0.020 1
1113 149 154 THR HG2 H 1.170 0.020 1
1114 149 154 THR CA C 67.074 0.150 1
1115 149 154 THR CB C 69.197 0.150 1
1116 149 154 THR N N 115.536 0.150 1
1117 150 155 GLN H H 7.825 0.020 1
1118 150 155 GLN HA H 4.015 0.020 1
1119 150 155 GLN HB2 H 2.108 0.020 2
1120 150 155 GLN CA C 58.780 0.150 1
1121 150 155 GLN CB C 28.240 0.150 1
1122 150 155 GLN N N 121.269 0.150 1
1123 151 156 LEU H H 8.319 0.020 1
1124 151 156 LEU HA H 3.968 0.020 1
1125 151 156 LEU HB2 H 1.795 0.020 2
1126 151 156 LEU HB3 H 1.440 0.020 2
1127 151 156 LEU HG H 1.169 0.020 1
1128 151 156 LEU HD1 H 0.708 0.020 2
1129 151 156 LEU HD2 H 0.623 0.020 2
1130 151 156 LEU CA C 58.369 0.150 1
1131 151 156 LEU CB C 41.220 0.150 1
1132 151 156 LEU CD1 C 26.660 0.150 1
1133 151 156 LEU CD2 C 23.101 0.150 1
1134 151 156 LEU N N 123.524 0.150 1
1135 153 158 THR HA H 3.912 0.020 1
1136 153 158 THR HB H 4.254 0.020 1
1137 153 158 THR HG2 H 1.216 0.020 1
1138 153 158 THR CB C 69.041 0.150 1
1139 154 159 THR H H 7.932 0.020 1
1140 154 159 THR HA H 3.842 0.020 1
1141 154 159 THR HB H 4.307 0.020 1
1142 154 159 THR CB C 68.717 0.150 1
1143 154 159 THR N N 120.647 0.150 1
1144 155 160 LEU H H 7.585 0.020 1
1145 155 160 LEU HA H 3.937 0.020 1
1146 155 160 LEU HB2 H 1.125 0.020 2
1147 155 160 LEU HB3 H 1.462 0.020 2
1148 155 160 LEU HG H 1.150 0.020 1
1149 155 160 LEU HD1 H -0.250 0.020 2
1150 155 160 LEU HD2 H -0.462 0.020 2
1151 155 160 LEU CA C 55.457 0.150 1
1152 155 160 LEU CB C 41.868 0.150 1
1153 155 160 LEU CG C 25.690 0.150 1
1154 155 160 LEU CD1 C 25.690 0.150 1
1155 155 160 LEU CD2 C 20.518 0.150 1
1156 155 160 LEU N N 118.598 0.150 1
1157 156 161 GLU H H 7.536 0.020 1
1158 156 161 GLU HA H 4.082 0.020 1
1159 156 161 GLU HB2 H 2.077 0.020 2
1160 156 161 GLU HG2 H 2.368 0.020 2
1161 156 161 GLU N N 123.994 0.150 1
1162 157 162 GLY HA2 H 4.167 0.020 2
1163 157 162 GLY HA3 H 3.884 0.020 2
1164 157 162 GLY CA C 45.750 0.150 1
1165 158 163 THR H H 7.771 0.020 1
1166 158 163 THR HA H 5.023 0.020 1
1167 158 163 THR HB H 4.444 0.020 1
1168 158 163 THR HG2 H 1.190 0.020 1
1169 158 163 THR CA C 60.310 0.150 1
1170 158 163 THR CB C 70.207 0.150 1
1171 158 163 THR CG2 C 20.842 0.150 1
1172 158 163 THR N N 112.733 0.150 1
1173 159 164 PRO HA H 4.433 0.020 1
1174 159 164 PRO HB2 H 2.251 0.020 2
1175 159 164 PRO HD2 H 3.637 0.020 1
1176 159 164 PRO HD3 H 3.637 0.020 1
1177 159 164 PRO CA C 63.546 0.150 1
1178 159 164 PRO CB C 31.553 0.150 1
1179 159 164 PRO CD C 49.633 0.150 1
1180 160 165 ALA H H 7.554 0.020 1
1181 160 165 ALA HA H 4.216 0.020 1
1182 160 165 ALA HB H 0.839 0.020 1
1183 160 165 ALA CA C 53.520 0.150 1
1184 160 165 ALA CB C 20.834 0.150 1
1185 160 165 ALA N N 122.496 0.150 1
1186 161 166 THR H H 7.796 0.020 1
1187 161 166 THR HA H 4.358 0.020 1
1188 161 166 THR HB H 4.043 0.020 1
1189 161 166 THR HG2 H 1.094 0.020 1
1190 161 166 THR CA C 60.086 0.150 1
1191 161 166 THR CB C 71.180 0.150 1
1192 161 166 THR CG2 C 21.813 0.150 1
1193 161 166 THR N N 113.761 0.150 1
1194 162 167 TYR H H 7.631 0.020 1
1195 162 167 TYR HA H 5.728 0.020 1
1196 162 167 TYR HB2 H 2.710 0.020 2
1197 162 167 TYR HB3 H 3.001 0.020 2
1198 162 167 TYR HD1 H 6.622 0.020 1
1199 162 167 TYR HD2 H 6.622 0.020 1
1200 162 167 TYR HE1 H 6.570 0.020 1
1201 162 167 TYR HE2 H 6.570 0.020 1
1202 162 167 TYR CA C 55.391 0.150 1
1203 162 167 TYR CB C 41.885 0.150 1
1204 162 167 TYR CD1 C 134.115 0.150 3
1205 162 167 TYR CE1 C 117.941 0.150 3
1206 162 167 TYR N N 118.642 0.150 1
1207 163 168 GLN H H 9.150 0.020 1
1208 163 168 GLN HA H 4.362 0.020 1
1209 163 168 GLN HB2 H 2.085 0.020 2
1210 163 168 GLN HB3 H 1.959 0.020 2
1211 163 168 GLN HG2 H 2.356 0.020 1
1212 163 168 GLN HG3 H 2.356 0.020 1
1213 163 168 GLN CA C 56.270 0.150 1
1214 163 168 GLN CB C 29.801 0.150 1
1215 163 168 GLN CG C 33.779 0.150 1
1216 163 168 GLN N N 120.441 0.150 1
1217 164 169 GLY HA2 H 4.436 0.020 2
1218 164 169 GLY HA3 H 3.886 0.020 2
1219 164 169 GLY CA C 46.074 0.150 1
1220 165 170 ASP H H 8.950 0.020 1
1221 165 170 ASP HA H 4.681 0.020 1
1222 165 170 ASP HB2 H 2.912 0.020 2
1223 165 170 ASP HB3 H 2.728 0.020 2
1224 165 170 ASP CA C 54.362 0.150 1
1225 165 170 ASP CB C 40.860 0.150 1
1226 165 170 ASP N N 116.794 0.150 1
1227 166 171 VAL H H 7.318 0.020 1
1228 166 171 VAL HA H 4.684 0.020 1
1229 166 171 VAL HB H 2.022 0.020 1
1230 166 171 VAL HG1 H 0.635 0.020 2
1231 166 171 VAL HG2 H 0.379 0.020 2
1232 166 171 VAL CA C 59.946 0.150 1
1233 166 171 VAL CB C 34.440 0.150 1
1234 166 171 VAL CG1 C 21.813 0.150 1
1235 166 171 VAL CG2 C 22.136 0.150 1
1236 166 171 VAL N N 118.129 0.150 1
1237 167 172 TYR H H 7.971 0.020 1
1238 167 172 TYR HA H 4.537 0.020 1
1239 167 172 TYR HB2 H 3.722 0.020 2
1240 167 172 TYR HB3 H 3.199 0.020 2
1241 167 172 TYR HD1 H 6.723 0.020 1
1242 167 172 TYR HD2 H 6.723 0.020 1
1243 167 172 TYR HE1 H 6.401 0.020 1
1244 167 172 TYR HE2 H 6.401 0.020 1
1245 167 172 TYR CA C 57.099 0.150 1
1246 167 172 TYR CB C 39.104 0.150 1
1247 167 172 TYR CD1 C 133.973 0.150 3
1248 167 172 TYR CE1 C 117.941 0.150 3
1249 167 172 TYR N N 120.184 0.150 1
1250 168 173 TYR H H 8.982 0.020 1
1251 168 173 TYR HA H 5.588 0.020 1
1252 168 173 TYR HB2 H 2.921 0.020 2
1253 168 173 TYR HB3 H 2.400 0.020 2
1254 168 173 TYR HD1 H 6.819 0.020 1
1255 168 173 TYR HD2 H 6.819 0.020 1
1256 168 173 TYR HE1 H 6.501 0.020 1
1257 168 173 TYR HE2 H 6.501 0.020 1
1258 168 173 TYR CA C 56.104 0.150 1
1259 168 173 TYR CB C 42.191 0.150 1
1260 168 173 TYR CD1 C 132.591 0.150 3
1261 168 173 TYR CE1 C 118.459 0.150 3
1262 168 173 TYR N N 113.504 0.150 1
1263 169 174 CYS H H 8.655 0.020 1
1264 169 174 CYS HA H 4.634 0.020 1
1265 169 174 CYS HB2 H 2.900 0.020 2
1266 169 174 CYS CA C 55.861 0.150 1
1267 169 174 CYS CB C 31.545 0.150 1
1268 169 174 CYS N N 118.899 0.150 1
1269 170 175 ALA H H 8.641 0.020 1
1270 170 175 ALA HA H 5.147 0.020 1
1271 170 175 ALA HB H 0.385 0.020 1
1272 170 175 ALA CA C 50.604 0.150 1
1273 170 175 ALA CB C 22.130 0.150 1
1274 170 175 ALA N N 121.708 0.150 1
1275 171 176 GLY H H 8.528 0.020 1
1276 171 176 GLY HA2 H 5.119 0.020 2
1277 171 176 GLY HA3 H 4.321 0.020 2
1278 171 176 GLY CA C 46.074 0.150 1
1279 171 176 GLY N N 109.137 0.150 1
1280 172 177 TYR H H 7.754 0.020 1
1281 172 177 TYR HA H 4.549 0.020 1
1282 172 177 TYR HB2 H 3.259 0.020 2
1283 172 177 TYR HB3 H 2.962 0.020 2
1284 172 177 TYR HD1 H 7.130 0.020 1
1285 172 177 TYR HD2 H 7.130 0.020 1
1286 172 177 TYR HE1 H 6.665 0.020 1
1287 172 177 TYR HE2 H 6.665 0.020 1
1288 172 177 TYR CA C 59.987 0.150 1
1289 172 177 TYR CB C 40.573 0.150 1
1290 172 177 TYR CD1 C 133.988 0.150 3
1291 172 177 TYR CE1 C 117.941 0.150 3
1292 172 177 TYR N N 120.708 0.150 1
1293 173 178 ASP H H 7.723 0.020 1
1294 173 178 ASP HA H 5.335 0.020 1
1295 173 178 ASP HB2 H 2.248 0.020 2
1296 173 178 ASP HB3 H 2.500 0.020 2
1297 173 178 ASP CA C 53.516 0.150 1
1298 173 178 ASP CB C 45.427 0.150 1
1299 173 178 ASP N N 116.794 0.150 1
1300 174 179 PRO HD2 H 3.473 0.020 1
1301 174 179 PRO HD3 H 3.473 0.020 1
1302 174 179 PRO CD C 50.604 0.150 1
1303 175 180 PRO HA H 3.995 0.020 1
1304 175 180 PRO HB2 H 2.318 0.020 2
1305 175 180 PRO HB3 H 1.865 0.020 2
1306 175 180 PRO HG2 H 2.116 0.020 2
1307 175 180 PRO HD2 H 3.846 0.020 2
1308 175 180 PRO CA C 63.870 0.150 1
1309 175 180 PRO CB C 33.455 0.150 1
1310 175 180 PRO CD C 51.574 0.150 1
1311 176 181 MET H H 10.175 0.020 1
1312 176 181 MET HA H 4.132 0.020 1
1313 176 181 MET HB2 H 2.027 0.020 2
1314 176 181 MET N N 123.737 0.150 1
1315 178 183 PRO HA H 4.510 0.020 1
1316 178 183 PRO HB2 H 2.101 0.020 2
1317 178 183 PRO HB3 H 1.497 0.020 2
1318 178 183 PRO HG2 H 1.922 0.020 2
1319 178 183 PRO HG3 H 1.748 0.020 2
1320 178 183 PRO HD2 H 4.079 0.020 2
1321 178 183 PRO HD3 H 3.652 0.020 2
1322 178 183 PRO CA C 64.835 0.150 1
1323 178 183 PRO CB C 32.484 0.150 1
1324 178 183 PRO CG C 26.984 0.150 1
1325 178 183 PRO CD C 51.251 0.150 1
1326 179 184 TYR H H 7.057 0.020 1
1327 179 184 TYR HA H 4.951 0.020 1
1328 179 184 TYR HB2 H 2.881 0.020 2
1329 179 184 TYR HB3 H 3.102 0.020 2
1330 179 184 TYR HD1 H 7.081 0.020 1
1331 179 184 TYR HD2 H 7.081 0.020 1
1332 179 184 TYR HE1 H 6.841 0.020 1
1333 179 184 TYR HE2 H 6.841 0.020 1
1334 179 184 TYR CA C 55.781 0.150 1
1335 179 184 TYR CB C 40.667 0.150 1
1336 179 184 TYR CD1 C 133.742 0.150 3
1337 179 184 TYR CE1 C 118.976 0.150 3
1338 179 184 TYR N N 115.816 0.150 1
1339 181 186 ARG CA C 60.247 0.150 1
1340 182 187 ARG H H 9.588 0.020 1
1341 182 187 ARG HA H 4.361 0.020 1
1342 182 187 ARG HB2 H 1.143 0.020 2
1343 182 187 ARG CA C 56.187 0.150 1
1344 182 187 ARG CB C 34.548 0.150 1
1345 182 187 ARG N N 122.254 0.150 1
1346 183 188 ASN H H 8.474 0.020 1
1347 183 188 ASN HA H 5.463 0.020 1
1348 183 188 ASN HB2 H 1.892 0.020 2
1349 183 188 ASN HB3 H 0.600 0.020 2
1350 183 188 ASN CA C 50.927 0.150 1
1351 183 188 ASN CB C 42.838 0.150 1
1352 183 188 ASN N N 121.675 0.150 1
1353 184 189 GLU H H 8.853 0.020 1
1354 184 189 GLU HA H 5.450 0.020 1
1355 184 189 GLU HB2 H 1.913 0.020 2
1356 184 189 GLU HB3 H 2.466 0.020 2
1357 184 189 GLU HG2 H 2.465 0.020 2
1358 184 189 GLU HG3 H 2.318 0.020 2
1359 184 189 GLU CA C 54.377 0.150 1
1360 184 189 GLU CB C 35.980 0.150 1
1361 184 189 GLU CG C 35.396 0.150 1
1362 184 189 GLU N N 117.727 0.150 1
1363 185 190 VAL H H 8.119 0.020 1
1364 185 190 VAL HA H 4.821 0.020 1
1365 185 190 VAL HB H 1.918 0.020 1
1366 185 190 VAL HG1 H 1.145 0.020 2
1367 185 190 VAL CA C 61.928 0.150 1
1368 185 190 VAL CB C 35.889 0.150 1
1369 185 190 VAL N N 116.330 0.150 1
1370 186 191 TRP H H 9.679 0.020 1
1371 186 191 TRP HA H 5.781 0.020 1
1372 186 191 TRP HB2 H 3.554 0.020 2
1373 186 191 TRP HB3 H 2.647 0.020 2
1374 186 191 TRP HD1 H 6.941 0.020 1
1375 186 191 TRP HE1 H 10.496 0.020 1
1376 186 191 TRP HE3 H 6.763 0.020 1
1377 186 191 TRP HZ2 H 6.612 0.020 1
1378 186 191 TRP HZ3 H 6.162 0.020 1
1379 186 191 TRP HH2 H 5.683 0.020 1
1380 186 191 TRP CA C 52.545 0.150 1
1381 186 191 TRP CB C 32.484 0.150 1
1382 186 191 TRP CD1 C 123.118 0.150 1
1383 186 191 TRP CE3 C 119.494 0.150 1
1384 186 191 TRP CZ2 C 112.812 0.150 1
1385 186 191 TRP CZ3 C 121.047 0.150 1
1386 186 191 TRP CH2 C 123.635 0.150 1
1387 186 191 TRP N N 125.322 0.150 1
1388 186 191 TRP NE1 N 129.148 0.150 1
1389 187 192 LEU H H 8.981 0.020 1
1390 187 192 LEU HA H 5.109 0.020 1
1391 187 192 LEU HB2 H 1.507 0.020 2
1392 187 192 LEU HB3 H 1.248 0.020 2
1393 187 192 LEU CA C 53.839 0.150 1
1394 187 192 LEU CB C 43.162 0.150 1
1395 187 192 LEU N N 122.703 0.150 1
1396 188 193 VAL H H 10.143 0.020 1
1397 188 193 VAL HA H 4.110 0.020 1
1398 188 193 VAL HB H 2.124 0.020 1
1399 188 193 VAL HG1 H 1.090 0.020 2
1400 188 193 VAL HG2 H 1.139 0.020 2
1401 188 193 VAL CA C 63.100 0.150 1
1402 188 193 VAL CB C 32.931 0.150 1
1403 188 193 VAL CG1 C 21.813 0.150 1
1404 188 193 VAL CG2 C 23.101 0.150 1
1405 188 193 VAL N N 125.322 0.150 1
1406 189 194 LYS H H 8.641 0.020 1
1407 189 194 LYS HA H 4.576 0.020 1
1408 189 194 LYS HB2 H 1.532 0.020 2
1409 189 194 LYS CA C 57.935 0.150 1
1410 189 194 LYS CB C 34.277 0.150 1
1411 189 194 LYS N N 130.410 0.150 1
1412 190 195 ALA H H 7.857 0.020 1
1413 190 195 ALA HA H 4.255 0.020 1
1414 190 195 ALA HB H 1.155 0.020 1
1415 190 195 ALA CA C 53.140 0.150 1
1416 190 195 ALA CB C 21.261 0.150 1
1417 190 195 ALA N N 135.654 0.150 1
stop_
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