data_6960
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Target Structure-Based Discovery of Small Molecules that Block Human p53 and
CREB Binding Protein (CBP) Association
;
_BMRB_accession_number 6960
_BMRB_flat_file_name bmr6960.str
_Entry_type original
_Submission_date 2006-01-27
_Accession_date 2006-01-27
_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 Sachchidanand . . .
2 Resnick-Silverman L. . .
3 Yan S. . .
4 Mujtaba S. . .
5 Liu W. J. .
6 Zeng L. . .
7 Manfredi J. . .
8 Zhou M. M. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 717
"13C chemical shifts" 441
"15N chemical shifts" 116
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-04-26 original author .
stop_
_Original_release_date 2006-04-26
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Target structure-based discovery of small molecules that block human p53 and
CREB binding protein association
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16426974
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sachchidanand . . .
2 Resnick-Silverman L. . .
3 Yan S. . .
4 Mujtaba S. . .
5 Liu W. J. .
6 Zeng L. . .
7 Manfredi J. J. .
8 Zhou M. M. .
stop_
_Journal_abbreviation 'Chem. Biol.'
_Journal_volume 13
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 81
_Page_last 90
_Year 2006
_Details .
loop_
_Keyword
9-Acetyl-2,3,4,9-tetrahydro-carbazol-1-one
Bromodomain
CBP
'Chemical Ligand'
CREB
'NMR structure'
p53
stop_
save_
##################################
# Molecular system description #
##################################
save_system
_Saveframe_category molecular_system
_Mol_system_name 'CREB-binding protein'
_Abbreviation_common 'CREB-binding protein'
_Enzyme_commission_number 2.3.1.48
loop_
_Mol_system_component_name
_Mol_label
'CREB-binding protein' $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'CREB-binding protein (E.C.2.3.1.48)'
_Abbreviation_common 'CREB-binding protein (E.C.2.3.1.48)'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 121
_Mol_residue_sequence
;
GSHMRKKIFKPEELRQALMP
TLEALYRQDPESLPFRQPVD
PQLLGIPDYFDIVKNPMDLS
TIKRKLDTGQYQEPWQYVDD
VWLMFNNAWLYNRKTSRVYK
FCSKLAEVFEQEIDPVMQSL
G
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1077 GLY 2 1078 SER 3 1079 HIS 4 1080 MET 5 1081 ARG
6 1082 LYS 7 1083 LYS 8 1084 ILE 9 1085 PHE 10 1086 LYS
11 1087 PRO 12 1088 GLU 13 1089 GLU 14 1090 LEU 15 1091 ARG
16 1092 GLN 17 1093 ALA 18 1094 LEU 19 1095 MET 20 1096 PRO
21 1097 THR 22 1098 LEU 23 1099 GLU 24 1100 ALA 25 1101 LEU
26 1102 TYR 27 1103 ARG 28 1104 GLN 29 1105 ASP 30 1106 PRO
31 1107 GLU 32 1108 SER 33 1109 LEU 34 1110 PRO 35 1111 PHE
36 1112 ARG 37 1113 GLN 38 1114 PRO 39 1115 VAL 40 1116 ASP
41 1117 PRO 42 1118 GLN 43 1119 LEU 44 1120 LEU 45 1121 GLY
46 1122 ILE 47 1123 PRO 48 1124 ASP 49 1125 TYR 50 1126 PHE
51 1127 ASP 52 1128 ILE 53 1129 VAL 54 1130 LYS 55 1131 ASN
56 1132 PRO 57 1133 MET 58 1134 ASP 59 1135 LEU 60 1136 SER
61 1137 THR 62 1138 ILE 63 1139 LYS 64 1140 ARG 65 1141 LYS
66 1142 LEU 67 1143 ASP 68 1144 THR 69 1145 GLY 70 1146 GLN
71 1147 TYR 72 1148 GLN 73 1149 GLU 74 1150 PRO 75 1151 TRP
76 1152 GLN 77 1153 TYR 78 1154 VAL 79 1155 ASP 80 1156 ASP
81 1157 VAL 82 1158 TRP 83 1159 LEU 84 1160 MET 85 1161 PHE
86 1162 ASN 87 1163 ASN 88 1164 ALA 89 1165 TRP 90 1166 LEU
91 1167 TYR 92 1168 ASN 93 1169 ARG 94 1170 LYS 95 1171 THR
96 1172 SER 97 1173 ARG 98 1174 VAL 99 1175 TYR 100 1176 LYS
101 1177 PHE 102 1178 CYS 103 1179 SER 104 1180 LYS 105 1181 LEU
106 1182 ALA 107 1183 GLU 108 1184 VAL 109 1185 PHE 110 1186 GLU
111 1187 GLN 112 1188 GLU 113 1189 ILE 114 1190 ASP 115 1191 PRO
116 1192 VAL 117 1193 MET 118 1194 GLN 119 1195 SER 120 1196 LEU
121 1197 GLY
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 17392 entity_1 100.00 121 100.00 100.00 2.18e-83
BMRB 17393 entity_1 100.00 121 100.00 100.00 2.18e-83
BMRB 7110 CBP_BROMODOMAIN 100.00 121 100.00 100.00 2.18e-83
PDB 1JSP "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" 100.00 121 100.00 100.00 2.18e-83
PDB 2D82 "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" 100.00 121 100.00 100.00 2.18e-83
PDB 2L84 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" 100.00 121 100.00 100.00 2.18e-83
PDB 2L85 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" 100.00 121 100.00 100.00 2.18e-83
PDB 2RNY "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" 100.00 121 100.00 100.00 2.18e-83
PDB 3DWY "Crystal Structure Of The Bromodomain Of Human Crebbp" 98.35 119 99.16 99.16 2.19e-80
PDB 3P1C "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" 98.35 119 99.16 99.16 2.19e-80
PDB 3P1D "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" 98.35 119 99.16 99.16 2.19e-80
PDB 3P1E "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" 98.35 119 99.16 99.16 2.19e-80
PDB 3P1F "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 3SVH "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4A9K "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" 98.35 119 99.16 99.16 2.19e-80
PDB 4N3W "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" 96.69 237 100.00 100.00 2.59e-78
PDB 4N4F "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " 96.69 237 100.00 100.00 2.59e-78
PDB 4NR4 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NR5 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NR6 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NR7 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NYV "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NYW "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4NYX "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.19e-80
PDB 4OUF "Crystal Structure Of Cbp Bromodomain" 95.87 116 100.00 100.00 1.14e-78
DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 99.17 2472 98.33 98.33 7.89e-75
DBJ BAG65526 "unnamed protein product [Homo sapiens]" 99.17 1198 98.33 98.33 1.20e-74
DBJ BAI45616 "CREB binding protein [synthetic construct]" 99.17 2442 98.33 98.33 8.34e-75
GB AAB28651 "CREB-binding protein [Mus sp.]" 99.17 2441 97.50 97.50 3.56e-73
GB AAC51331 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75
GB AAC51770 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.67e-75
GB AAH72594 "Crebbp protein, partial [Mus musculus]" 99.17 1589 98.33 98.33 7.85e-75
GB AAI72737 "CREB binding protein [synthetic construct]" 99.17 2441 98.33 98.33 1.04e-74
PRF 1923401A "protein CBP" 99.17 2441 97.50 97.50 3.56e-73
REF NP_001020603 "CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 1.04e-74
REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 99.17 2404 98.33 98.33 8.13e-75
REF NP_001157494 "CREB-binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.21e-73
REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 99.17 2442 98.33 98.33 8.84e-75
REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75
SP P45481 "RecName: Full=CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 8.34e-75
SP Q6JHU9 "RecName: Full=CREB-binding protein [Rattus norvegicus]" 99.17 2442 98.33 98.33 8.42e-75
SP Q92793 "RecName: Full=CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75
TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.21e-73
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity 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
$entity 'recombinant technology' . . . . .
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
$entity 0.5 mM '[U-15N; U-13C]'
CRB 3.0 mM .
'phosphate buffer' 100 mM .
D2O 100 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.5 mM '[U-15N; U-13C; U-75% 2H]'
CRB 3.0 mM .
'phosphate buffer' 100 mM .
D2O 10 % .
H2O 90 % .
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.3
loop_
_Task
processing
stop_
_Details 'F.Delaglio, S.Grzesiek, G.Vuister, G.Zhu, J.Pfeifer, A.Bax'
save_
save_NMRVIEW
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Task
'data analysis'
stop_
_Details 'Bruce A.Johnson'
save_
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 3.851
loop_
_Task
'structure solution'
stop_
_Details Brunger
save_
save_ARIA
_Saveframe_category software
_Name ARIA
_Version 2.0
loop_
_Task
refinement
stop_
_Details 'M.Nilges, S.O'Donoghue'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-SEPERATED_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-SEPERATED NOESY'
_Sample_label .
save_
save_3D_13C-SEPERATED_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-SEPERATED TOCSY'
_Sample_label .
save_
save_3D_13C-EDITED_13C/15N-Filtered_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-EDITED 13C/15N-Filtered NOESY'
_Sample_label .
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label .
save_
save_3D_HNCOCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCOCACB'
_Sample_label .
save_
save_3D_CCONH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCONH'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
. C 13 . ppm . . . . . . $entry_citation $entry_citation
. H 1 . ppm . . . . . . $entry_citation $entry_citation
. N 15 . ppm . . . . . . $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'CREB-binding protein'
_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 SER HA H 4.396 . .
2 . 2 SER HB2 H 3.753 . .
3 . 2 SER CA C 58.230 . .
4 . 2 SER CB C 63.674 . .
5 . 3 HIS HA H 4.602 . .
6 . 3 HIS HB2 H 3.097 . .
7 . 3 HIS HB3 H 3.026 . .
8 . 3 HIS HD2 H 7.019 . .
9 . 3 HIS CA C 55.863 . .
10 . 3 HIS CB C 29.826 . .
11 . 3 HIS CD2 C 117.260 . .
12 . 4 MET HA H 4.403 . .
13 . 4 MET HB2 H 2.035 . .
14 . 4 MET HB3 H 1.958 . .
15 . 4 MET HG2 H 2.510 . .
16 . 4 MET HG3 H 2.444 . .
17 . 4 MET CA C 55.389 . .
18 . 4 MET CB C 32.903 . .
19 . 4 MET CG C 31.956 . .
20 . 5 ARG H H 8.471 . .
21 . 5 ARG HA H 4.314 . .
22 . 5 ARG HB2 H 1.841 . .
23 . 5 ARG HB3 H 1.746 . .
24 . 5 ARG HG2 H 1.595 . .
25 . 5 ARG HD2 H 3.151 . .
26 . 5 ARG CA C 55.775 . .
27 . 5 ARG CB C 30.918 . .
28 . 5 ARG CG C 27.130 . .
29 . 5 ARG CD C 43.337 . .
30 . 5 ARG N N 122.846 . .
31 . 6 LYS H H 8.431 . .
32 . 6 LYS HA H 4.272 . .
33 . 6 LYS HB2 H 1.725 . .
34 . 6 LYS HB3 H 1.338 . .
35 . 6 LYS HG2 H 1.388 . .
36 . 6 LYS HG3 H 1.302 . .
37 . 6 LYS HD2 H 1.650 . .
38 . 6 LYS HE2 H 2.921 . .
39 . 6 LYS HZ H 7.484 . .
40 . 6 LYS CA C 56.336 . .
41 . 6 LYS CB C 33.139 . .
42 . 6 LYS CG C 25.000 . .
43 . 6 LYS CD C 29.024 . .
44 . 6 LYS CE C 41.571 . .
45 . 6 LYS N N 123.308 . .
46 . 7 LYS H H 8.296 . .
47 . 7 LYS HA H 4.243 . .
48 . 7 LYS HB2 H 1.604 . .
49 . 7 LYS HG2 H 1.108 . .
50 . 7 LYS HG3 H 0.963 . .
51 . 7 LYS HD2 H 1.505 . .
52 . 7 LYS HE2 H 2.675 . .
53 . 7 LYS CA C 56.012 . .
54 . 7 LYS CB C 33.500 . .
55 . 7 LYS CG C 24.844 . .
56 . 7 LYS CD C 29.027 . .
57 . 7 LYS CE C 41.861 . .
58 . 7 LYS N N 123.385 . .
59 . 8 ILE H H 8.036 . .
60 . 8 ILE HA H 4.281 . .
61 . 8 ILE HB H 1.735 . .
62 . 8 ILE HG12 H 1.428 . .
63 . 8 ILE HG13 H 1.130 . .
64 . 8 ILE HG2 H 0.860 . .
65 . 8 ILE HD1 H 0.826 . .
66 . 8 ILE CA C 59.815 . .
67 . 8 ILE CB C 39.023 . .
68 . 8 ILE CG1 C 27.039 . .
69 . 8 ILE CG2 C 17.517 . .
70 . 8 ILE CD1 C 12.453 . .
71 . 8 ILE N N 123.000 . .
72 . 9 PHE H H 8.944 . .
73 . 9 PHE HA H 4.643 . .
74 . 9 PHE HB2 H 2.857 . .
75 . 9 PHE HD1 H 7.326 . .
76 . 9 PHE HE1 H 7.399 . .
77 . 9 PHE HZ H 7.366 . .
78 . 9 PHE CA C 57.239 . .
79 . 9 PHE CB C 41.110 . .
80 . 9 PHE CD1 C 129.603 . .
81 . 9 PHE CE1 C 129.198 . .
82 . 9 PHE CZ C 127.783 . .
83 . 9 PHE N N 125.466 . .
84 . 10 LYS H H 9.227 . .
85 . 10 LYS HA H 4.681 . .
86 . 10 LYS HB2 H 2.161 . .
87 . 10 LYS HB3 H 1.687 . .
88 . 10 LYS HG2 H 1.655 . .
89 . 10 LYS HG3 H 1.549 . .
90 . 10 LYS HD2 H 1.714 . .
91 . 10 LYS HE2 H 3.002 . .
92 . 10 LYS CA C 54.355 . .
93 . 10 LYS CB C 31.628 . .
94 . 10 LYS CG C 25.236 . .
95 . 10 LYS CD C 28.787 . .
96 . 10 LYS CE C 41.808 . .
97 . 10 LYS N N 123.848 . .
98 . 11 PRO HA H 4.227 . .
99 . 11 PRO HB2 H 2.442 . .
100 . 11 PRO HB3 H 2.036 . .
101 . 11 PRO HG2 H 2.275 . .
102 . 11 PRO HG3 H 2.183 . .
103 . 11 PRO HD2 H 3.936 . .
104 . 11 PRO HD3 H 3.930 . .
105 . 11 PRO CA C 66.192 . .
106 . 11 PRO CB C 32.102 . .
107 . 11 PRO CG C 27.841 . .
108 . 11 PRO CD C 50.570 . .
109 . 12 GLU H H 9.763 . .
110 . 12 GLU HA H 4.148 . .
111 . 12 GLU HB2 H 2.037 . .
112 . 12 GLU HG2 H 2.335 . .
113 . 12 GLU CA C 59.563 . .
114 . 12 GLU CB C 28.377 . .
115 . 12 GLU CG C 35.868 . .
116 . 12 GLU N N 118.058 . .
117 . 13 GLU H H 7.208 . .
118 . 13 GLU HA H 4.130 . .
119 . 13 GLU HB2 H 2.339 . .
120 . 13 GLU HB3 H 2.216 . .
121 . 13 GLU HG2 H 2.355 . .
122 . 13 GLU HG3 H 2.200 . .
123 . 13 GLU CA C 59.156 . .
124 . 13 GLU CB C 29.971 . .
125 . 13 GLU CG C 36.690 . .
126 . 13 GLU N N 119.994 . .
127 . 14 LEU H H 7.828 . .
128 . 14 LEU HA H 3.793 . .
129 . 14 LEU HB2 H 1.653 . .
130 . 14 LEU HB3 H 1.312 . .
131 . 14 LEU HG H 1.402 . .
132 . 14 LEU HD1 H 0.350 . .
133 . 14 LEU HD2 H 0.268 . .
134 . 14 LEU CA C 57.718 . .
135 . 14 LEU CB C 41.120 . .
136 . 14 LEU CG C 26.420 . .
137 . 14 LEU CD1 C 25.236 . .
138 . 14 LEU CD2 C 24.260 . .
139 . 14 LEU N N 119.377 . .
140 . 15 ARG H H 8.134 . .
141 . 15 ARG HA H 3.668 . .
142 . 15 ARG HB2 H 1.903 . .
143 . 15 ARG HG2 H 1.539 . .
144 . 15 ARG HG3 H 1.460 . .
145 . 15 ARG HD2 H 3.278 . .
146 . 15 ARG HD3 H 2.850 . .
147 . 15 ARG HE H 7.802 . .
148 . 15 ARG CA C 60.594 . .
149 . 15 ARG CB C 29.734 . .
150 . 15 ARG CG C 28.314 . .
151 . 15 ARG CD C 43.437 . .
152 . 15 ARG N N 118.607 . .
153 . 16 GLN H H 7.808 . .
154 . 16 GLN HA H 3.921 . .
155 . 16 GLN HB2 H 2.107 . .
156 . 16 GLN HB3 H 2.075 . .
157 . 16 GLN HG2 H 2.484 . .
158 . 16 GLN HG3 H 2.393 . .
159 . 16 GLN HE21 H 7.588 . .
160 . 16 GLN HE22 H 6.819 . .
161 . 16 GLN CA C 58.379 . .
162 . 16 GLN CB C 27.998 . .
163 . 16 GLN CG C 33.759 . .
164 . 16 GLN N N 115.601 . .
165 . 16 GLN NE2 N 111.670 . .
166 . 17 ALA H H 7.417 . .
167 . 17 ALA HA H 4.187 . .
168 . 17 ALA HB H 1.334 . .
169 . 17 ALA CA C 53.969 . .
170 . 17 ALA CB C 19.318 . .
171 . 17 ALA N N 117.142 . .
172 . 18 LEU H H 7.989 . .
173 . 18 LEU HA H 4.185 . .
174 . 18 LEU HB2 H 1.352 . .
175 . 18 LEU HB3 H 0.327 . .
176 . 18 LEU HG H 1.547 . .
177 . 18 LEU HD1 H 0.232 . .
178 . 18 LEU HD2 H 0.510 . .
179 . 18 LEU CA C 55.302 . .
180 . 18 LEU CB C 41.334 . .
181 . 18 LEU CG C 26.275 . .
182 . 18 LEU CD1 C 24.526 . .
183 . 18 LEU CD2 C 21.304 . .
184 . 18 LEU N N 111.131 . .
185 . 19 MET H H 8.684 . .
186 . 19 MET HA H 4.424 . .
187 . 19 MET HB2 H 2.203 . .
188 . 19 MET HG2 H 2.660 . .
189 . 19 MET HG3 H 2.558 . .
190 . 19 MET HE H 2.013 . .
191 . 19 MET CA C 59.090 . .
192 . 19 MET CB C 28.551 . .
193 . 19 MET CG C 32.575 . .
194 . 19 MET CE C 17.281 . .
195 . 19 MET N N 123.154 . .
196 . 20 PRO HA H 4.434 . .
197 . 20 PRO HB2 H 2.414 . .
198 . 20 PRO HB3 H 1.739 . .
199 . 20 PRO HG2 H 2.124 . .
200 . 20 PRO HG3 H 1.969 . .
201 . 20 PRO HD2 H 3.629 . .
202 . 20 PRO HD3 H 3.329 . .
203 . 20 PRO CA C 66.428 . .
204 . 20 PRO CB C 31.392 . .
205 . 20 PRO CG C 28.787 . .
206 . 20 PRO CD C 51.041 . .
207 . 21 THR H H 7.482 . .
208 . 21 THR HA H 4.148 . .
209 . 21 THR HB H 4.195 . .
210 . 21 THR HG2 H 1.308 . .
211 . 21 THR CA C 64.620 . .
212 . 21 THR CB C 69.743 . .
213 . 21 THR CG2 C 23.200 . .
214 . 21 THR N N 126.699 . .
215 . 22 LEU H H 7.011 . .
216 . 22 LEU HA H 4.312 . .
217 . 22 LEU HB2 H 2.206 . .
218 . 22 LEU HB3 H 2.065 . .
219 . 22 LEU HG H 1.869 . .
220 . 22 LEU HD1 H 1.088 . .
221 . 22 LEU HD2 H 1.090 . .
222 . 22 LEU CA C 57.000 . .
223 . 22 LEU CB C 41.571 . .
224 . 22 LEU CG C 27.130 . .
225 . 22 LEU CD1 C 26.512 . .
226 . 22 LEU CD2 C 24.382 . .
227 . 22 LEU N N 125.004 . .
228 . 23 GLU H H 8.775 . .
229 . 23 GLU HA H 4.016 . .
230 . 23 GLU HB2 H 2.017 . .
231 . 23 GLU HB3 H 1.976 . .
232 . 23 GLU HG2 H 2.326 . .
233 . 23 GLU HG3 H 2.116 . .
234 . 23 GLU CA C 59.636 . .
235 . 23 GLU CB C 29.261 . .
236 . 23 GLU CG C 36.690 . .
237 . 23 GLU N N 119.377 . .
238 . 24 ALA H H 7.584 . .
239 . 24 ALA HA H 3.950 . .
240 . 24 ALA HB H 1.409 . .
241 . 24 ALA CA C 54.828 . .
242 . 24 ALA CB C 17.740 . .
243 . 24 ALA N N 118.915 . .
244 . 25 LEU H H 7.277 . .
245 . 25 LEU HA H 4.102 . .
246 . 25 LEU HB2 H 2.297 . .
247 . 25 LEU HB3 H 1.087 . .
248 . 25 LEU HG H 2.374 . .
249 . 25 LEU HD1 H 0.661 . .
250 . 25 LEU HD2 H 0.897 . .
251 . 25 LEU CA C 57.432 . .
252 . 25 LEU CB C 41.098 . .
253 . 25 LEU CG C 25.947 . .
254 . 25 LEU CD1 C 25.710 . .
255 . 25 LEU CD2 C 23.435 . .
256 . 25 LEU N N 114.753 . .
257 . 26 TYR H H 7.897 . .
258 . 26 TYR HA H 3.707 . .
259 . 26 TYR HB2 H 2.900 . .
260 . 26 TYR HD1 H 6.935 . .
261 . 26 TYR HE1 H 6.613 . .
262 . 26 TYR CA C 62.727 . .
263 . 26 TYR CB C 39.204 . .
264 . 26 TYR CD1 C 130.477 . .
265 . 26 TYR CE1 C 115.240 . .
266 . 26 TYR N N 116.988 . .
267 . 27 ARG H H 7.848 . .
268 . 27 ARG HA H 4.008 . .
269 . 27 ARG HB2 H 1.897 . .
270 . 27 ARG HB3 H 1.832 . .
271 . 27 ARG HG2 H 1.697 . .
272 . 27 ARG HD2 H 3.174 . .
273 . 27 ARG HD3 H 3.121 . .
274 . 27 ARG CA C 57.283 . .
275 . 27 ARG CB C 29.971 . .
276 . 27 ARG CG C 27.841 . .
277 . 27 ARG CD C 43.702 . .
278 . 27 ARG N N 112.981 . .
279 . 28 GLN H H 7.257 . .
280 . 28 GLN HA H 4.113 . .
281 . 28 GLN HB2 H 2.099 . .
282 . 28 GLN HB3 H 2.049 . .
283 . 28 GLN HG2 H 2.807 . .
284 . 28 GLN HG3 H 2.055 . .
285 . 28 GLN HE21 H 7.944 . .
286 . 28 GLN HE22 H 6.992 . .
287 . 28 GLN CA C 54.828 . .
288 . 28 GLN CB C 26.183 . .
289 . 28 GLN CG C 32.666 . .
290 . 28 GLN N N 117.374 . .
291 . 28 GLN NE2 N 115.370 . .
292 . 29 ASP H H 8.257 . .
293 . 29 ASP HA H 4.717 . .
294 . 29 ASP HB2 H 2.787 . .
295 . 29 ASP HB3 H 2.252 . .
296 . 29 ASP CA C 50.740 . .
297 . 29 ASP CB C 43.337 . .
298 . 29 ASP N N 112.056 . .
299 . 30 PRO HA H 5.034 . .
300 . 30 PRO HB2 H 2.103 . .
301 . 30 PRO HG2 H 1.913 . .
302 . 30 PRO HG3 H 1.101 . .
303 . 30 PRO HD2 H 3.342 . .
304 . 30 PRO CA C 64.851 . .
305 . 30 PRO CB C 34.469 . .
306 . 30 PRO CG C 25.000 . .
307 . 30 PRO CD C 49.857 . .
308 . 31 GLU H H 9.470 . .
309 . 31 GLU HA H 2.585 . .
310 . 31 GLU HB2 H 1.632 . .
311 . 31 GLU HG2 H 2.305 . .
312 . 31 GLU HG3 H 1.574 . .
313 . 31 GLU CA C 61.515 . .
314 . 31 GLU CB C 27.720 . .
315 . 31 GLU CG C 38.020 . .
316 . 31 GLU N N 123.925 . .
317 . 32 SER H H 8.005 . .
318 . 32 SER HA H 4.360 . .
319 . 32 SER HB2 H 4.377 . .
320 . 32 SER HB3 H 3.656 . .
321 . 32 SER CA C 60.115 . .
322 . 32 SER CB C 64.871 . .
323 . 32 SER N N 123.616 . .
324 . 33 LEU H H 7.989 . .
325 . 33 LEU HA H 3.903 . .
326 . 33 LEU HB2 H 2.088 . .
327 . 33 LEU HB3 H 1.598 . .
328 . 33 LEU HG H 1.681 . .
329 . 33 LEU HD1 H 0.971 . .
330 . 33 LEU HD2 H 0.828 . .
331 . 33 LEU CA C 60.833 . .
332 . 33 LEU CB C 37.783 . .
333 . 33 LEU CG C 28.787 . .
334 . 33 LEU CD1 C 24.618 . .
335 . 33 LEU CD2 C 22.396 . .
336 . 33 LEU N N 124.310 . .
337 . 34 PRO HA H 4.359 . .
338 . 34 PRO HB2 H 2.101 . .
339 . 34 PRO HB3 H 0.610 . .
340 . 34 PRO HG2 H 1.957 . .
341 . 34 PRO HG3 H 1.795 . .
342 . 34 PRO HD2 H 3.804 . .
343 . 34 PRO HD3 H 3.064 . .
344 . 34 PRO CA C 64.340 . .
345 . 34 PRO CB C 30.900 . .
346 . 34 PRO CG C 27.841 . .
347 . 34 PRO CD C 50.567 . .
348 . 35 PHE H H 8.027 . .
349 . 35 PHE HA H 4.752 . .
350 . 35 PHE HB2 H 3.846 . .
351 . 35 PHE HB3 H 2.629 . .
352 . 35 PHE HD1 H 7.424 . .
353 . 35 PHE HE1 H 7.358 . .
354 . 35 PHE HZ H 7.034 . .
355 . 35 PHE CA C 57.680 . .
356 . 35 PHE CB C 39.220 . .
357 . 35 PHE CD1 C 130.436 . .
358 . 35 PHE CE1 C 128.252 . .
359 . 35 PHE CZ C 125.963 . .
360 . 35 PHE N N 113.828 . .
361 . 36 ARG H H 7.095 . .
362 . 36 ARG HA H 3.949 . .
363 . 36 ARG HB2 H 2.117 . .
364 . 36 ARG HB3 H 1.889 . .
365 . 36 ARG HG2 H 2.183 . .
366 . 36 ARG HG3 H 1.325 . .
367 . 36 ARG HD2 H 3.193 . .
368 . 36 ARG HD3 H 3.050 . .
369 . 36 ARG HE H 6.445 . .
370 . 36 ARG CA C 59.563 . .
371 . 36 ARG CB C 31.719 . .
372 . 36 ARG CG C 27.960 . .
373 . 36 ARG CD C 44.264 . .
374 . 36 ARG N N 117.759 . .
375 . 37 GLN H H 7.584 . .
376 . 37 GLN HA H 4.921 . .
377 . 37 GLN HB2 H 2.194 . .
378 . 37 GLN HB3 H 1.774 . .
379 . 37 GLN HG2 H 2.256 . .
380 . 37 GLN HG3 H 2.142 . .
381 . 37 GLN HE21 H 7.423 . .
382 . 37 GLN HE22 H 6.837 . .
383 . 37 GLN CA C 53.171 . .
384 . 37 GLN CB C 28.679 . .
385 . 37 GLN CG C 32.575 . .
386 . 37 GLN N N 113.983 . .
387 . 37 GLN NE2 N 111.516 . .
388 . 38 PRO HA H 4.141 . .
389 . 38 PRO HB2 H 2.272 . .
390 . 38 PRO HB3 H 1.648 . .
391 . 38 PRO HG2 H 1.970 . .
392 . 38 PRO HD2 H 3.706 . .
393 . 38 PRO HD3 H 3.466 . .
394 . 38 PRO CA C 62.474 . .
395 . 38 PRO CB C 31.795 . .
396 . 38 PRO CG C 27.481 . .
397 . 38 PRO CD C 50.567 . .
398 . 39 VAL H H 8.460 . .
399 . 39 VAL HA H 3.202 . .
400 . 39 VAL HB H 1.471 . .
401 . 39 VAL HG1 H 0.739 . .
402 . 39 VAL HG2 H -0.369 . .
403 . 39 VAL CA C 64.620 . .
404 . 39 VAL CB C 32.440 . .
405 . 39 VAL CG1 C 23.100 . .
406 . 39 VAL CG2 C 20.358 . .
407 . 39 VAL N N 125.466 . .
408 . 40 ASP H H 7.301 . .
409 . 40 ASP HA H 5.085 . .
410 . 40 ASP HB2 H 2.919 . .
411 . 40 ASP HB3 H 2.384 . .
412 . 40 ASP CA C 49.950 . .
413 . 40 ASP CB C 41.622 . .
414 . 40 ASP N N 128.087 . .
415 . 41 PRO HA H 3.617 . .
416 . 41 PRO HB2 H 2.318 . .
417 . 41 PRO HB3 H 1.731 . .
418 . 41 PRO HG2 H 1.583 . .
419 . 41 PRO HG3 H 1.094 . .
420 . 41 PRO HD2 H 3.777 . .
421 . 41 PRO HD3 H 3.725 . .
422 . 41 PRO CA C 64.534 . .
423 . 41 PRO CB C 33.049 . .
424 . 41 PRO CG C 27.841 . .
425 . 41 PRO CD C 51.041 . .
426 . 42 GLN H H 7.866 . .
427 . 42 GLN HA H 4.022 . .
428 . 42 GLN HB2 H 2.108 . .
429 . 42 GLN HG2 H 2.363 . .
430 . 42 GLN HE21 H 7.659 . .
431 . 42 GLN HE22 H 6.874 . .
432 . 42 GLN CA C 58.143 . .
433 . 42 GLN CB C 27.841 . .
434 . 42 GLN CG C 33.996 . .
435 . 42 GLN N N 115.139 . .
436 . 42 GLN NE2 N 112.210 . .
437 . 43 LEU H H 7.418 . .
438 . 43 LEU HA H 4.005 . .
439 . 43 LEU HB2 H 1.561 . .
440 . 43 LEU HG H 1.470 . .
441 . 43 LEU HD1 H 0.853 . .
442 . 43 LEU HD2 H 0.878 . .
443 . 43 LEU CA C 57.196 . .
444 . 43 LEU CB C 42.134 . .
445 . 43 LEU CG C 26.897 . .
446 . 43 LEU CD1 C 24.053 . .
447 . 43 LEU CD2 C 23.343 . .
448 . 43 LEU N N 121.921 . .
449 . 44 LEU H H 7.535 . .
450 . 44 LEU HA H 4.192 . .
451 . 44 LEU HB2 H 1.405 . .
452 . 44 LEU HB3 H 1.400 . .
453 . 44 LEU HG H 1.699 . .
454 . 44 LEU HD1 H 0.743 . .
455 . 44 LEU HD2 H 0.823 . .
456 . 44 LEU CA C 54.564 . .
457 . 44 LEU CB C 43.252 . .
458 . 44 LEU CG C 26.985 . .
459 . 44 LEU CD1 C 26.271 . .
460 . 44 LEU CD2 C 21.969 . .
461 . 44 LEU N N 114.214 . .
462 . 45 GLY H H 7.392 . .
463 . 45 GLY HA2 H 3.907 . .
464 . 45 GLY N N 127.932 . .
465 . 46 ILE H H 7.863 . .
466 . 46 ILE HA H 4.871 . .
467 . 46 ILE HB H 2.265 . .
468 . 46 ILE HG12 H 1.649 . .
469 . 46 ILE HG13 H 0.628 . .
470 . 46 ILE HG2 H 0.734 . .
471 . 46 ILE HD1 H 0.371 . .
472 . 46 ILE CA C 57.432 . .
473 . 46 ILE CB C 38.117 . .
474 . 46 ILE CG1 C 25.236 . .
475 . 46 ILE CG2 C 18.749 . .
476 . 46 ILE CD1 C 13.873 . .
477 . 46 ILE N N 111.902 . .
478 . 47 PRO HA H 4.051 . .
479 . 47 PRO HB2 H 2.220 . .
480 . 47 PRO HB3 H 2.029 . .
481 . 47 PRO HG2 H 1.925 . .
482 . 47 PRO HD2 H 3.727 . .
483 . 47 PRO HD3 H 3.278 . .
484 . 47 PRO CA C 64.771 . .
485 . 47 PRO CB C 31.865 . .
486 . 47 PRO CG C 26.894 . .
487 . 47 PRO CD C 50.567 . .
488 . 48 ASP H H 8.432 . .
489 . 48 ASP HA H 4.603 . .
490 . 48 ASP HB2 H 3.125 . .
491 . 48 ASP HB3 H 2.647 . .
492 . 48 ASP CA C 53.366 . .
493 . 48 ASP CB C 40.184 . .
494 . 48 ASP N N 118.376 . .
495 . 49 TYR H H 8.006 . .
496 . 49 TYR HA H 3.583 . .
497 . 49 TYR HB2 H 2.781 . .
498 . 49 TYR HB3 H 1.981 . .
499 . 49 TYR HD1 H 5.422 . .
500 . 49 TYR HE1 H 6.155 . .
501 . 49 TYR CA C 63.672 . .
502 . 49 TYR CB C 39.294 . .
503 . 49 TYR CD1 C 130.683 . .
504 . 49 TYR CE1 C 114.312 . .
505 . 49 TYR N N 122.152 . .
506 . 50 PHE H H 8.513 . .
507 . 50 PHE HA H 4.976 . .
508 . 50 PHE HB2 H 3.470 . .
509 . 50 PHE HB3 H 2.939 . .
510 . 50 PHE HD1 H 7.405 . .
511 . 50 PHE HE1 H 7.399 . .
512 . 50 PHE HZ H 7.379 . .
513 . 50 PHE CA C 57.239 . .
514 . 50 PHE CB C 37.310 . .
515 . 50 PHE CD1 C 128.859 . .
516 . 50 PHE CE1 C 129.198 . .
517 . 50 PHE CZ C 127.379 . .
518 . 50 PHE N N 113.289 . .
519 . 51 ASP H H 7.639 . .
520 . 51 ASP HA H 4.458 . .
521 . 51 ASP HB2 H 2.942 . .
522 . 51 ASP HB3 H 2.689 . .
523 . 51 ASP CA C 56.003 . .
524 . 51 ASP CB C 40.410 . .
525 . 51 ASP N N 117.759 . .
526 . 52 ILE H H 7.182 . .
527 . 52 ILE HA H 3.988 . .
528 . 52 ILE HB H 1.823 . .
529 . 52 ILE HG12 H 1.562 . .
530 . 52 ILE HG13 H 1.391 . .
531 . 52 ILE HG2 H 0.997 . .
532 . 52 ILE HD1 H 0.883 . .
533 . 52 ILE CA C 61.457 . .
534 . 52 ILE CB C 39.677 . .
535 . 52 ILE CG1 C 28.077 . .
536 . 52 ILE CG2 C 17.424 . .
537 . 52 ILE CD1 C 11.790 . .
538 . 52 ILE N N 118.838 . .
539 . 53 VAL H H 8.617 . .
540 . 53 VAL HA H 3.530 . .
541 . 53 VAL HB H 1.023 . .
542 . 53 VAL HG1 H 0.442 . .
543 . 53 VAL HG2 H 0.609 . .
544 . 53 VAL CA C 62.474 . .
545 . 53 VAL CB C 30.836 . .
546 . 53 VAL CG1 C 21.489 . .
547 . 53 VAL CG2 C 19.810 . .
548 . 53 VAL N N 122.460 . .
549 . 54 LYS H H 7.655 . .
550 . 54 LYS HA H 4.258 . .
551 . 54 LYS HB2 H 1.819 . .
552 . 54 LYS HB3 H 1.651 . .
553 . 54 LYS HG2 H 1.456 . .
554 . 54 LYS HG3 H 1.348 . .
555 . 54 LYS HD2 H 1.584 . .
556 . 54 LYS HE2 H 2.928 . .
557 . 54 LYS CA C 56.249 . .
558 . 54 LYS CB C 32.338 . .
559 . 54 LYS CG C 24.526 . .
560 . 54 LYS CD C 27.841 . .
561 . 54 LYS CE C 42.518 . .
562 . 54 LYS N N 123.154 . .
563 . 55 ASN H H 8.585 . .
564 . 55 ASN HA H 5.245 . .
565 . 55 ASN HB2 H 2.748 . .
566 . 55 ASN HD21 H 6.900 . .
567 . 55 ASN HD22 H 7.614 . .
568 . 55 ASN CA C 50.530 . .
569 . 55 ASN CB C 40.240 . .
570 . 55 ASN N N 116.988 . .
571 . 55 ASN ND2 N 114.060 . .
572 . 56 PRO HA H 4.137 . .
573 . 56 PRO HB2 H 2.438 . .
574 . 56 PRO HB3 H 2.141 . .
575 . 56 PRO HG2 H 2.150 . .
576 . 56 PRO HG3 H 1.989 . .
577 . 56 PRO HD2 H 3.701 . .
578 . 56 PRO HD3 H 3.449 . .
579 . 56 PRO CA C 62.641 . .
580 . 56 PRO CB C 32.903 . .
581 . 56 PRO CG C 27.770 . .
582 . 56 PRO CD C 50.418 . .
583 . 57 MET H H 8.420 . .
584 . 57 MET HA H 5.067 . .
585 . 57 MET HB2 H 2.174 . .
586 . 57 MET HB3 H 1.250 . .
587 . 57 MET HG2 H 3.011 . .
588 . 57 MET HG3 H 2.924 . .
589 . 57 MET HE H 1.988 . .
590 . 57 MET CA C 54.118 . .
591 . 57 MET CB C 31.865 . .
592 . 57 MET CG C 30.681 . .
593 . 57 MET CE C 14.176 . .
594 . 57 MET N N 119.069 . .
595 . 58 ASP H H 7.292 . .
596 . 58 ASP HA H 4.861 . .
597 . 58 ASP HB2 H 2.596 . .
598 . 58 ASP HB3 H 2.303 . .
599 . 58 ASP CA C 53.366 . .
600 . 58 ASP CB C 44.108 . .
601 . 58 ASP N N 120.765 . .
602 . 59 LEU H H 8.816 . .
603 . 59 LEU HA H 3.827 . .
604 . 59 LEU HB2 H 1.725 . .
605 . 59 LEU HB3 H 1.360 . .
606 . 59 LEU HG H 1.559 . .
607 . 59 LEU HD1 H 0.232 . .
608 . 59 LEU HD2 H 0.582 . .
609 . 59 LEU CA C 58.616 . .
610 . 59 LEU CB C 42.281 . .
611 . 59 LEU CG C 26.420 . .
612 . 59 LEU CD1 C 25.010 . .
613 . 59 LEU CD2 C 24.125 . .
614 . 59 LEU N N 119.146 . .
615 . 60 SER H H 8.235 . .
616 . 60 SER HA H 4.245 . .
617 . 60 SER HB2 H 4.353 . .
618 . 60 SER HB3 H 3.978 . .
619 . 60 SER CA C 61.930 . .
620 . 60 SER CB C 61.930 . .
621 . 60 SER N N 115.678 . .
622 . 61 THR H H 7.280 . .
623 . 61 THR HA H 3.882 . .
624 . 61 THR HB H 4.230 . .
625 . 61 THR HG2 H 1.137 . .
626 . 61 THR CA C 66.987 . .
627 . 61 THR CB C 68.264 . .
628 . 61 THR CG2 C 21.541 . .
629 . 61 THR N N 124.850 . .
630 . 62 ILE H H 7.530 . .
631 . 62 ILE HA H 3.915 . .
632 . 62 ILE HB H 1.695 . .
633 . 62 ILE HG12 H 1.863 . .
634 . 62 ILE HG13 H 0.897 . .
635 . 62 ILE HG2 H 1.167 . .
636 . 62 ILE HD1 H 0.342 . .
637 . 62 ILE CA C 65.461 . .
638 . 62 ILE CB C 38.820 . .
639 . 62 ILE CG1 C 30.062 . .
640 . 62 ILE CG2 C 19.174 . .
641 . 62 ILE CD1 C 14.118 . .
642 . 62 ILE N N 123.693 . .
643 . 63 LYS H H 8.783 . .
644 . 63 LYS HA H 3.693 . .
645 . 63 LYS HB2 H 1.982 . .
646 . 63 LYS HB3 H 1.225 . .
647 . 63 LYS HG2 H 1.461 . .
648 . 63 LYS HG3 H 1.186 . .
649 . 63 LYS HD2 H 1.462 . .
650 . 63 LYS HE2 H 2.801 . .
651 . 63 LYS CA C 60.360 . .
652 . 63 LYS CB C 32.575 . .
653 . 63 LYS CG C 25.230 . .
654 . 63 LYS CD C 28.919 . .
655 . 63 LYS CE C 42.101 . .
656 . 63 LYS N N 119.146 . .
657 . 64 ARG H H 7.805 . .
658 . 64 ARG HA H 4.169 . .
659 . 64 ARG HB2 H 1.978 . .
660 . 64 ARG HB3 H 1.974 . .
661 . 64 ARG HG2 H 1.667 . .
662 . 64 ARG HG3 H 1.503 . .
663 . 64 ARG HD2 H 3.204 . .
664 . 64 ARG CA C 59.358 . .
665 . 64 ARG CB C 29.398 . .
666 . 64 ARG CG C 27.241 . .
667 . 64 ARG CD C 42.992 . .
668 . 64 ARG N N 117.990 . .
669 . 65 LYS H H 8.487 . .
670 . 65 LYS HA H 3.417 . .
671 . 65 LYS HB2 H 1.959 . .
672 . 65 LYS HB3 H 0.555 . .
673 . 65 LYS HG2 H 1.858 . .
674 . 65 LYS HG3 H 0.732 . .
675 . 65 LYS HD2 H 1.539 . .
676 . 65 LYS HD3 H 1.355 . .
677 . 65 LYS HE2 H 2.381 . .
678 . 65 LYS HZ H 6.790 . .
679 . 65 LYS CA C 61.070 . .
680 . 65 LYS CB C 31.392 . .
681 . 65 LYS CG C 26.183 . .
682 . 65 LYS CD C 28.879 . .
683 . 65 LYS CE C 41.338 . .
684 . 65 LYS N N 121.998 . .
685 . 66 LEU H H 8.568 . .
686 . 66 LEU HA H 4.353 . .
687 . 66 LEU HB2 H 1.936 . .
688 . 66 LEU HB3 H 1.758 . .
689 . 66 LEU HG H 1.733 . .
690 . 66 LEU HD1 H 0.735 . .
691 . 66 LEU HD2 H 0.832 . .
692 . 66 LEU CA C 57.718 . .
693 . 66 LEU CB C 42.992 . .
694 . 66 LEU CG C 27.604 . .
695 . 66 LEU CD1 C 25.560 . .
696 . 66 LEU CD2 C 25.323 . .
697 . 66 LEU N N 120.534 . .
698 . 67 ASP H H 9.128 . .
699 . 67 ASP HA H 4.352 . .
700 . 67 ASP HB2 H 2.831 . .
701 . 67 ASP HB3 H 2.581 . .
702 . 67 ASP CA C 57.239 . .
703 . 67 ASP CB C 41.098 . .
704 . 67 ASP N N 119.994 . .
705 . 68 THR H H 7.768 . .
706 . 68 THR HA H 4.501 . .
707 . 68 THR HB H 4.510 . .
708 . 68 THR HG2 H 1.225 . .
709 . 68 THR CA C 61.074 . .
710 . 68 THR CB C 69.820 . .
711 . 68 THR CG2 C 21.087 . .
712 . 68 THR N N 125.158 . .
713 . 69 GLY H H 7.435 . .
714 . 69 GLY HA2 H 4.260 . .
715 . 69 GLY HA3 H 3.902 . .
716 . 69 GLY CA C 47.578 . .
717 . 69 GLY N N 109.898 . .
718 . 70 GLN H H 8.377 . .
719 . 70 GLN HA H 3.982 . .
720 . 70 GLN HB2 H 2.007 . .
721 . 70 GLN HB3 H 1.085 . .
722 . 70 GLN HG2 H 2.231 . .
723 . 70 GLN HG3 H 2.210 . .
724 . 70 GLN HE21 H 7.312 . .
725 . 70 GLN HE22 H 6.815 . .
726 . 70 GLN CA C 56.485 . .
727 . 70 GLN CB C 28.642 . .
728 . 70 GLN CG C 34.232 . .
729 . 70 GLN N N 114.753 . .
730 . 70 GLN NE2 N 113.289 . .
731 . 71 TYR H H 8.115 . .
732 . 71 TYR HA H 4.772 . .
733 . 71 TYR HB2 H 2.693 . .
734 . 71 TYR HB3 H 2.655 . .
735 . 71 TYR HD1 H 6.870 . .
736 . 71 TYR HE1 H 6.563 . .
737 . 71 TYR CA C 56.242 . .
738 . 71 TYR CB C 37.547 . .
739 . 71 TYR CD1 C 129.870 . .
740 . 71 TYR CE1 C 115.044 . .
741 . 71 TYR N N 117.682 . .
742 . 72 GLN H H 8.915 . .
743 . 72 GLN HA H 4.294 . .
744 . 72 GLN HB2 H 2.250 . .
745 . 72 GLN HB3 H 2.131 . .
746 . 72 GLN HG2 H 2.432 . .
747 . 72 GLN HE21 H 7.595 . .
748 . 72 GLN HE22 H 6.759 . .
749 . 72 GLN CA C 56.956 . .
750 . 72 GLN CB C 30.395 . .
751 . 72 GLN CG C 34.469 . .
752 . 72 GLN N N 120.688 . .
753 . 72 GLN NE2 N 112.904 . .
754 . 73 GLU H H 7.662 . .
755 . 73 GLU HA H 4.613 . .
756 . 73 GLU HB2 H 2.182 . .
757 . 73 GLU HB3 H 1.529 . .
758 . 73 GLU HG2 H 2.433 . .
759 . 73 GLU HG3 H 2.247 . .
760 . 73 GLU CA C 52.917 . .
761 . 73 GLU CB C 31.755 . .
762 . 73 GLU CG C 35.743 . .
763 . 73 GLU N N 114.214 . .
764 . 74 PRO HA H 3.767 . .
765 . 74 PRO HB2 H 1.784 . .
766 . 74 PRO HG2 H 1.793 . .
767 . 74 PRO HG3 H 1.407 . .
768 . 74 PRO HD2 H 3.749 . .
769 . 74 PRO HD3 H 2.760 . .
770 . 74 PRO CA C 65.331 . .
771 . 74 PRO CB C 31.628 . .
772 . 74 PRO CG C 27.367 . .
773 . 74 PRO CD C 50.094 . .
774 . 75 TRP H H 7.913 . .
775 . 75 TRP HA H 4.204 . .
776 . 75 TRP HB2 H 3.619 . .
777 . 75 TRP HB3 H 3.277 . .
778 . 75 TRP HD1 H 7.470 . .
779 . 75 TRP HE1 H 10.301 . .
780 . 75 TRP HE3 H 7.543 . .
781 . 75 TRP HZ2 H 7.474 . .
782 . 75 TRP HZ3 H 7.177 . .
783 . 75 TRP HH2 H 7.259 . .
784 . 75 TRP CA C 59.563 . .
785 . 75 TRP CB C 27.459 . .
786 . 75 TRP CD1 C 124.952 . .
787 . 75 TRP CE3 C 118.681 . .
788 . 75 TRP CZ2 C 112.214 . .
789 . 75 TRP CZ3 C 120.302 . .
790 . 75 TRP CH2 C 122.526 . .
791 . 75 TRP N N 115.293 . .
792 . 76 GLN H H 6.930 . .
793 . 76 GLN HA H 3.880 . .
794 . 76 GLN HB2 H 2.199 . .
795 . 76 GLN HB3 H 2.038 . .
796 . 76 GLN HG2 H 1.885 . .
797 . 76 GLN HG3 H 1.349 . .
798 . 76 GLN CA C 58.399 . .
799 . 76 GLN CB C 29.971 . .
800 . 76 GLN CG C 33.283 . .
801 . 76 GLN N N 118.530 . .
802 . 77 TYR H H 6.278 . .
803 . 77 TYR HA H 3.387 . .
804 . 77 TYR HB2 H 2.640 . .
805 . 77 TYR HB3 H 1.773 . .
806 . 77 TYR HD1 H 6.734 . .
807 . 77 TYR HE1 H 6.612 . .
808 . 77 TYR CA C 59.650 . .
809 . 77 TYR CB C 37.570 . .
810 . 77 TYR CD1 C 131.083 . .
811 . 77 TYR CE1 C 115.594 . .
812 . 77 TYR N N 120.534 . .
813 . 78 VAL H H 7.335 . .
814 . 78 VAL HA H 3.062 . .
815 . 78 VAL HB H 2.264 . .
816 . 78 VAL HG1 H 1.259 . .
817 . 78 VAL HG2 H 1.106 . .
818 . 78 VAL CA C 67.305 . .
819 . 78 VAL CB C 31.956 . .
820 . 78 VAL CG1 C 22.640 . .
821 . 78 VAL CG2 C 23.671 . .
822 . 78 VAL N N 119.146 . .
823 . 79 ASP H H 8.435 . .
824 . 79 ASP HA H 4.536 . .
825 . 79 ASP HB2 H 2.844 . .
826 . 79 ASP HB3 H 2.703 . .
827 . 79 ASP CA C 57.432 . .
828 . 79 ASP CB C 40.150 . .
829 . 79 ASP N N 116.988 . .
830 . 80 ASP H H 7.196 . .
831 . 80 ASP HA H 4.534 . .
832 . 80 ASP HB2 H 2.790 . .
833 . 80 ASP HB3 H 2.502 . .
834 . 80 ASP CA C 57.196 . .
835 . 80 ASP CB C 39.677 . .
836 . 80 ASP N N 121.767 . .
837 . 81 VAL H H 7.404 . .
838 . 81 VAL HA H 2.479 . .
839 . 81 VAL HB H 0.869 . .
840 . 81 VAL HG1 H -0.257 . .
841 . 81 VAL HG2 H -1.498 . .
842 . 81 VAL CA C 66.751 . .
843 . 81 VAL CB C 30.299 . .
844 . 81 VAL CG1 C 20.730 . .
845 . 81 VAL CG2 C 20.738 . .
846 . 81 VAL N N 121.690 . .
847 . 82 TRP H H 7.909 . .
848 . 82 TRP HA H 3.980 . .
849 . 82 TRP HB2 H 3.303 . .
850 . 82 TRP HB3 H 3.106 . .
851 . 82 TRP HD1 H 7.475 . .
852 . 82 TRP HE1 H 10.500 . .
853 . 82 TRP HE3 H 7.896 . .
854 . 82 TRP HZ2 H 7.718 . .
855 . 82 TRP HZ3 H 7.485 . .
856 . 82 TRP HH2 H 7.493 . .
857 . 82 TRP CA C 60.833 . .
858 . 82 TRP CB C 28.405 . .
859 . 82 TRP CD1 C 125.154 . .
860 . 82 TRP CE3 C 118.345 . .
861 . 82 TRP CZ2 C 112.214 . .
862 . 82 TRP CZ3 C 119.962 . .
863 . 82 TRP CH2 C 122.591 . .
864 . 82 TRP N N 115.216 . .
865 . 83 LEU H H 8.070 . .
866 . 83 LEU HA H 4.235 . .
867 . 83 LEU HB2 H 2.172 . .
868 . 83 LEU HB3 H 1.656 . .
869 . 83 LEU HG H 1.410 . .
870 . 83 LEU HD1 H 0.888 . .
871 . 83 LEU HD2 H 1.108 . .
872 . 83 LEU CA C 58.143 . .
873 . 83 LEU CB C 42.045 . .
874 . 83 LEU CG C 27.367 . .
875 . 83 LEU CD1 C 26.183 . .
876 . 83 LEU CD2 C 22.632 . .
877 . 83 LEU N N 122.923 . .
878 . 84 MET H H 7.283 . .
879 . 84 MET HA H 3.651 . .
880 . 84 MET HB2 H 2.201 . .
881 . 84 MET HB3 H 1.219 . .
882 . 84 MET HG2 H 2.576 . .
883 . 84 MET HG3 H 1.823 . .
884 . 84 MET HE H 1.223 . .
885 . 84 MET CA C 59.837 . .
886 . 84 MET CB C 33.049 . .
887 . 84 MET CG C 31.485 . .
888 . 84 MET CE C 17.044 . .
889 . 84 MET N N 117.605 . .
890 . 85 PHE H H 7.495 . .
891 . 85 PHE HA H 4.188 . .
892 . 85 PHE HB2 H 2.481 . .
893 . 85 PHE HB3 H 1.455 . .
894 . 85 PHE HD1 H 6.053 . .
895 . 85 PHE HE1 H 6.070 . .
896 . 85 PHE HZ H 6.042 . .
897 . 85 PHE CA C 56.485 . .
898 . 85 PHE CB C 36.600 . .
899 . 85 PHE CD1 C 127.176 . .
900 . 85 PHE CE1 C 124.817 . .
901 . 85 PHE CZ C 127.581 . .
902 . 85 PHE N N 118.684 . .
903 . 86 ASN H H 9.609 . .
904 . 86 ASN HA H 4.792 . .
905 . 86 ASN HB2 H 3.125 . .
906 . 86 ASN HB3 H 2.889 . .
907 . 86 ASN HD21 H 7.800 . .
908 . 86 ASN HD22 H 7.213 . .
909 . 86 ASN CA C 56.720 . .
910 . 86 ASN CB C 37.783 . .
911 . 86 ASN N N 118.838 . .
912 . 86 ASN ND2 N 111.670 . .
913 . 87 ASN H H 8.918 . .
914 . 87 ASN HA H 4.447 . .
915 . 87 ASN HB2 H 3.085 . .
916 . 87 ASN HB3 H 2.750 . .
917 . 87 ASN CA C 55.503 . .
918 . 87 ASN CB C 38.116 . .
919 . 87 ASN N N 119.223 . .
920 . 88 ALA H H 7.309 . .
921 . 88 ALA HA H 4.400 . .
922 . 88 ALA HB H 1.744 . .
923 . 88 ALA CA C 54.842 . .
924 . 88 ALA CB C 17.753 . .
925 . 88 ALA N N 121.458 . .
926 . 89 TRP H H 8.668 . .
927 . 89 TRP HA H 4.808 . .
928 . 89 TRP HB2 H 3.319 . .
929 . 89 TRP HB3 H 3.121 . .
930 . 89 TRP HD1 H 4.993 . .
931 . 89 TRP HE1 H 8.859 . .
932 . 89 TRP HE3 H 7.612 . .
933 . 89 TRP HZ2 H 6.962 . .
934 . 89 TRP HZ3 H 7.250 . .
935 . 89 TRP HH2 H 6.958 . .
936 . 89 TRP CA C 58.613 . .
937 . 89 TRP CB C 28.207 . .
938 . 89 TRP CD1 C 120.771 . .
939 . 89 TRP CE3 C 118.749 . .
940 . 89 TRP CZ2 C 111.606 . .
941 . 89 TRP CZ3 C 119.558 . .
942 . 89 TRP CH2 C 121.390 . .
943 . 89 TRP N N 119.917 . .
944 . 90 LEU H H 7.636 . .
945 . 90 LEU HA H 4.454 . .
946 . 90 LEU HB2 H 2.136 . .
947 . 90 LEU HB3 H 1.817 . .
948 . 90 LEU HG H 1.406 . .
949 . 90 LEU HD1 H 0.988 . .
950 . 90 LEU HD2 H 0.983 . .
951 . 90 LEU CA C 56.722 . .
952 . 90 LEU CB C 42.992 . .
953 . 90 LEU CG C 27.131 . .
954 . 90 LEU CD1 C 26.420 . .
955 . 90 LEU CD2 C 22.869 . .
956 . 90 LEU N N 118.684 . .
957 . 91 TYR H H 8.337 . .
958 . 91 TYR HA H 4.006 . .
959 . 91 TYR HB2 H 2.950 . .
960 . 91 TYR HB3 H 2.910 . .
961 . 91 TYR HD1 H 6.928 . .
962 . 91 TYR HE1 H 6.707 . .
963 . 91 TYR CA C 61.995 . .
964 . 91 TYR CB C 40.477 . .
965 . 91 TYR CD1 C 130.479 . .
966 . 91 TYR CE1 C 115.419 . .
967 . 91 TYR N N 115.601 . .
968 . 92 ASN H H 7.833 . .
969 . 92 ASN HA H 4.682 . .
970 . 92 ASN HB2 H 3.075 . .
971 . 92 ASN HB3 H 2.871 . .
972 . 92 ASN CA C 52.541 . .
973 . 92 ASN CB C 40.903 . .
974 . 92 ASN N N 112.981 . .
975 . 93 ARG H H 8.795 . .
976 . 93 ARG HA H 4.307 . .
977 . 93 ARG HB2 H 1.896 . .
978 . 93 ARG HB3 H 1.722 . .
979 . 93 ARG HG2 H 1.741 . .
980 . 93 ARG HD2 H 3.169 . .
981 . 93 ARG CA C 55.775 . .
982 . 93 ARG CB C 31.155 . .
983 . 93 ARG CG C 27.367 . .
984 . 93 ARG CD C 42.992 . .
985 . 93 ARG N N 118.067 . .
986 . 94 LYS H H 8.821 . .
987 . 94 LYS HA H 2.180 . .
988 . 94 LYS HB2 H 1.388 . .
989 . 94 LYS HB3 H 1.402 . .
990 . 94 LYS HG2 H 1.176 . .
991 . 94 LYS HG3 H 1.063 . .
992 . 94 LYS HD2 H 1.504 . .
993 . 94 LYS HE2 H 2.890 . .
994 . 94 LYS CA C 58.466 . .
995 . 94 LYS CB C 32.193 . .
996 . 94 LYS CG C 25.230 . .
997 . 94 LYS CD C 29.061 . .
998 . 94 LYS CE C 41.608 . .
999 . 94 LYS N N 122.846 . .
1000 . 95 THR H H 6.878 . .
1001 . 95 THR HA H 4.091 . .
1002 . 95 THR HB H 4.437 . .
1003 . 95 THR HG2 H 1.117 . .
1004 . 95 THR CA C 60.740 . .
1005 . 95 THR CB C 68.743 . .
1006 . 95 THR CG2 C 21.926 . .
1007 . 95 THR N N 122.614 . .
1008 . 96 SER H H 7.845 . .
1009 . 96 SER HA H 4.422 . .
1010 . 96 SER HB2 H 4.346 . .
1011 . 96 SER HB3 H 3.995 . .
1012 . 96 SER CA C 58.143 . .
1013 . 96 SER CB C 65.955 . .
1014 . 96 SER N N 118.221 . .
1015 . 97 ARG H H 8.822 . .
1016 . 97 ARG HA H 3.644 . .
1017 . 97 ARG HB2 H 1.606 . .
1018 . 97 ARG HB3 H 1.333 . .
1019 . 97 ARG HG2 H 1.010 . .
1020 . 97 ARG HG3 H 0.663 . .
1021 . 97 ARG HD2 H 3.011 . .
1022 . 97 ARG CA C 59.090 . .
1023 . 97 ARG CB C 29.971 . .
1024 . 97 ARG CG C 26.512 . .
1025 . 97 ARG CD C 43.228 . .
1026 . 97 ARG N N 123.616 . .
1027 . 98 VAL H H 8.031 . .
1028 . 98 VAL HA H 3.290 . .
1029 . 98 VAL HB H 1.661 . .
1030 . 98 VAL HG1 H 0.815 . .
1031 . 98 VAL HG2 H 0.610 . .
1032 . 98 VAL CA C 67.028 . .
1033 . 98 VAL CB C 31.483 . .
1034 . 98 VAL CG1 C 22.725 . .
1035 . 98 VAL CG2 C 22.846 . .
1036 . 98 VAL N N 114.984 . .
1037 . 99 TYR H H 7.313 . .
1038 . 99 TYR HA H 3.778 . .
1039 . 99 TYR HB2 H 3.407 . .
1040 . 99 TYR HB3 H 2.598 . .
1041 . 99 TYR HD1 H 7.120 . .
1042 . 99 TYR HE1 H 7.029 . .
1043 . 99 TYR CA C 62.234 . .
1044 . 99 TYR CB C 40.151 . .
1045 . 99 TYR CD1 C 132.296 . .
1046 . 99 TYR CE1 C 116.121 . .
1047 . 99 TYR N N 121.304 . .
1048 . 100 LYS H H 7.766 . .
1049 . 100 LYS HA H 4.317 . .
1050 . 100 LYS HB2 H 2.024 . .
1051 . 100 LYS HG2 H 1.709 . .
1052 . 100 LYS HG3 H 1.593 . .
1053 . 100 LYS HD2 H 1.699 . .
1054 . 100 LYS HD3 H 1.646 . .
1055 . 100 LYS HE2 H 2.900 . .
1056 . 100 LYS CA C 60.123 . .
1057 . 100 LYS CB C 31.820 . .
1058 . 100 LYS CG C 25.565 . .
1059 . 100 LYS CD C 29.352 . .
1060 . 100 LYS CE C 41.608 . .
1061 . 100 LYS N N 118.144 . .
1062 . 101 PHE H H 9.170 . .
1063 . 101 PHE HA H 4.500 . .
1064 . 101 PHE HB2 H 3.916 . .
1065 . 101 PHE HB3 H 3.669 . .
1066 . 101 PHE HD1 H 7.123 . .
1067 . 101 PHE HE1 H 7.338 . .
1068 . 101 PHE HZ H 7.137 . .
1069 . 101 PHE CA C 57.196 . .
1070 . 101 PHE CB C 36.600 . .
1071 . 101 PHE CD1 C 127.444 . .
1072 . 101 PHE CE1 C 128.255 . .
1073 . 101 PHE CZ C 126.572 . .
1074 . 101 PHE N N 121.381 . .
1075 . 102 CYS H H 8.542 . .
1076 . 102 CYS HA H 3.237 . .
1077 . 102 CYS HB2 H 3.043 . .
1078 . 102 CYS HB3 H 2.708 . .
1079 . 102 CYS CA C 61.276 . .
1080 . 102 CYS CB C 25.803 . .
1081 . 102 CYS N N 120.148 . .
1082 . 103 SER H H 8.472 . .
1083 . 103 SER HA H 4.455 . .
1084 . 103 SER HB2 H 4.243 . .
1085 . 103 SER HB3 H 4.124 . .
1086 . 103 SER CA C 62.827 . .
1087 . 103 SER CB C 62.404 . .
1088 . 103 SER N N 112.826 . .
1089 . 104 LYS H H 7.811 . .
1090 . 104 LYS HA H 4.240 . .
1091 . 104 LYS HB2 H 2.040 . .
1092 . 104 LYS HB3 H 2.007 . .
1093 . 104 LYS HG2 H 1.469 . .
1094 . 104 LYS HG3 H 1.233 . .
1095 . 104 LYS HD2 H 1.804 . .
1096 . 104 LYS HD3 H 1.629 . .
1097 . 104 LYS HE2 H 2.831 . .
1098 . 104 LYS CA C 58.230 . .
1099 . 104 LYS CB C 31.246 . .
1100 . 104 LYS CG C 24.365 . .
1101 . 104 LYS CD C 27.604 . .
1102 . 104 LYS CE C 41.807 . .
1103 . 104 LYS N N 122.614 . .
1104 . 105 LEU H H 7.817 . .
1105 . 105 LEU HA H 3.623 . .
1106 . 105 LEU HB2 H 1.516 . .
1107 . 105 LEU HB3 H 1.105 . .
1108 . 105 LEU HG H 1.649 . .
1109 . 105 LEU HD1 H 0.392 . .
1110 . 105 LEU HD2 H 0.564 . .
1111 . 105 LEU CA C 57.718 . .
1112 . 105 LEU CB C 41.899 . .
1113 . 105 LEU CG C 26.657 . .
1114 . 105 LEU CD1 C 26.183 . .
1115 . 105 LEU CD2 C 23.579 . .
1116 . 105 LEU N N 118.838 . .
1117 . 106 ALA H H 7.971 . .
1118 . 106 ALA HA H 3.433 . .
1119 . 106 ALA HB H 0.922 . .
1120 . 106 ALA CA C 54.804 . .
1121 . 106 ALA CB C 17.661 . .
1122 . 106 ALA N N 120.534 . .
1123 . 107 GLU H H 7.484 . .
1124 . 107 GLU HA H 4.131 . .
1125 . 107 GLU HB2 H 2.209 . .
1126 . 107 GLU HG2 H 2.493 . .
1127 . 107 GLU HG3 H 2.199 . .
1128 . 107 GLU CA C 59.636 . .
1129 . 107 GLU CB C 29.498 . .
1130 . 107 GLU CG C 36.453 . .
1131 . 107 GLU N N 119.069 . .
1132 . 108 VAL H H 7.751 . .
1133 . 108 VAL HA H 3.638 . .
1134 . 108 VAL HB H 2.157 . .
1135 . 108 VAL HG1 H 0.961 . .
1136 . 108 VAL HG2 H 0.867 . .
1137 . 108 VAL CA C 65.947 . .
1138 . 108 VAL CB C 31.833 . .
1139 . 108 VAL CG1 C 22.150 . .
1140 . 108 VAL CG2 C 21.212 . .
1141 . 108 VAL N N 120.379 . .
1142 . 109 PHE H H 9.072 . .
1143 . 109 PHE HA H 4.031 . .
1144 . 109 PHE HB2 H 3.342 . .
1145 . 109 PHE HB3 H 3.065 . .
1146 . 109 PHE HD1 H 7.046 . .
1147 . 109 PHE HE1 H 7.188 . .
1148 . 109 PHE HZ H 6.833 . .
1149 . 109 PHE CA C 62.404 . .
1150 . 109 PHE CB C 39.441 . .
1151 . 109 PHE CD1 C 129.198 . .
1152 . 109 PHE CE1 C 128.794 . .
1153 . 109 PHE CZ C 126.837 . .
1154 . 109 PHE N N 119.223 . .
1155 . 110 GLU H H 8.546 . .
1156 . 110 GLU HA H 4.000 . .
1157 . 110 GLU HB2 H 2.365 . .
1158 . 110 GLU HB3 H 2.165 . .
1159 . 110 GLU HG2 H 2.817 . .
1160 . 110 GLU HG3 H 2.523 . .
1161 . 110 GLU CA C 59.563 . .
1162 . 110 GLU CB C 30.208 . .
1163 . 110 GLU CG C 37.106 . .
1164 . 110 GLU N N 116.372 . .
1165 . 111 GLN H H 7.336 . .
1166 . 111 GLN HA H 4.103 . .
1167 . 111 GLN HB2 H 2.270 . .
1168 . 111 GLN HB3 H 2.173 . .
1169 . 111 GLN HG2 H 2.501 . .
1170 . 111 GLN HG3 H 2.433 . .
1171 . 111 GLN CA C 57.718 . .
1172 . 111 GLN CB C 28.924 . .
1173 . 111 GLN CG C 33.522 . .
1174 . 111 GLN N N 115.139 . .
1175 . 112 GLU H H 7.938 . .
1176 . 112 GLU HA H 4.122 . .
1177 . 112 GLU HB2 H 1.999 . .
1178 . 112 GLU HB3 H 1.767 . .
1179 . 112 GLU HG2 H 2.494 . .
1180 . 112 GLU HG3 H 2.016 . .
1181 . 112 GLU CA C 57.518 . .
1182 . 112 GLU CB C 29.638 . .
1183 . 112 GLU CG C 35.653 . .
1184 . 112 GLU N N 116.603 . .
1185 . 113 ILE H H 8.835 . .
1186 . 113 ILE HA H 4.091 . .
1187 . 113 ILE HB H 0.713 . .
1188 . 113 ILE HG12 H 1.215 . .
1189 . 113 ILE HG13 H 0.887 . .
1190 . 113 ILE HG2 H 0.722 . .
1191 . 113 ILE HD1 H 0.889 . .
1192 . 113 ILE CA C 59.156 . .
1193 . 113 ILE CB C 38.494 . .
1194 . 113 ILE CG1 C 29.358 . .
1195 . 113 ILE CG2 C 20.050 . .
1196 . 113 ILE CD1 C 14.118 . .
1197 . 113 ILE N N 117.682 . .
1198 . 114 ASP H H 7.002 . .
1199 . 114 ASP HA H 4.549 . .
1200 . 114 ASP HB2 H 2.840 . .
1201 . 114 ASP HB3 H 2.681 . .
1202 . 114 ASP CA C 59.090 . .
1203 . 114 ASP CB C 38.967 . .
1204 . 114 ASP N N 122.614 . .
1205 . 115 PRO HA H 4.263 . .
1206 . 115 PRO HB2 H 2.273 . .
1207 . 115 PRO HB3 H 1.855 . .
1208 . 115 PRO HG2 H 2.039 . .
1209 . 115 PRO HD2 H 3.757 . .
1210 . 115 PRO HD3 H 3.511 . .
1211 . 115 PRO CA C 65.567 . .
1212 . 115 PRO CB C 30.772 . .
1213 . 115 PRO CG C 28.169 . .
1214 . 115 PRO CD C 50.094 . .
1215 . 116 VAL H H 6.569 . .
1216 . 116 VAL HA H 3.676 . .
1217 . 116 VAL HB H 2.039 . .
1218 . 116 VAL HG1 H 1.029 . .
1219 . 116 VAL HG2 H 0.769 . .
1220 . 116 VAL CA C 65.678 . .
1221 . 116 VAL CB C 31.820 . .
1222 . 116 VAL CG1 C 22.725 . .
1223 . 116 VAL CG2 C 21.304 . .
1224 . 116 VAL N N 117.990 . .
1225 . 117 MET H H 8.445 . .
1226 . 117 MET HA H 4.299 . .
1227 . 117 MET HB2 H 2.205 . .
1228 . 117 MET HB3 H 1.973 . .
1229 . 117 MET HG2 H 2.602 . .
1230 . 117 MET HG3 H 2.515 . .
1231 . 117 MET HE H 1.469 . .
1232 . 117 MET CA C 56.722 . .
1233 . 117 MET CB C 29.877 . .
1234 . 117 MET CG C 32.981 . .
1235 . 117 MET CE C 16.097 . .
1236 . 117 MET N N 118.530 . .
1237 . 118 GLN H H 8.017 . .
1238 . 118 GLN HA H 4.119 . .
1239 . 118 GLN HB2 H 2.156 . .
1240 . 118 GLN HB3 H 2.058 . .
1241 . 118 GLN HG2 H 2.509 . .
1242 . 118 GLN HG3 H 2.417 . .
1243 . 118 GLN HE21 H 7.593 . .
1244 . 118 GLN HE22 H 6.770 . .
1245 . 118 GLN CA C 58.639 . .
1246 . 118 GLN CB C 28.077 . .
1247 . 118 GLN CG C 34.000 . .
1248 . 118 GLN N N 118.067 . .
1249 . 118 GLN NE2 N 112.826 . .
1250 . 119 SER H H 7.594 . .
1251 . 119 SER HA H 4.431 . .
1252 . 119 SER HB2 H 4.056 . .
1253 . 119 SER HB3 H 4.017 . .
1254 . 119 SER CA C 60.115 . .
1255 . 119 SER CB C 63.674 . .
1256 . 119 SER N N 113.905 . .
1257 . 120 LEU H H 7.599 . .
1258 . 120 LEU HA H 4.432 . .
1259 . 120 LEU HB2 H 1.773 . .
1260 . 120 LEU HB3 H 1.633 . .
1261 . 120 LEU HG H 1.785 . .
1262 . 120 LEU HD1 H 0.610 . .
1263 . 120 LEU HD2 H 0.660 . .
1264 . 120 LEU CA C 55.539 . .
1265 . 120 LEU CB C 42.579 . .
1266 . 120 LEU CG C 26.260 . .
1267 . 120 LEU CD1 C 25.601 . .
1268 . 120 LEU CD2 C 22.640 . .
1269 . 120 LEU N N 121.844 . .
1270 . 121 GLY H H 7.603 . .
1271 . 121 GLY HA2 H 3.882 . .
1272 . 121 GLY HA3 H 3.791 . .
1273 . 121 GLY CA C 46.306 . .
1274 . 121 GLY N N 112.595 . .
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