data_6914
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the Wilson ATPase N-domain in the presence of ATP
;
_BMRB_accession_number 6914
_BMRB_flat_file_name bmr6914.str
_Entry_type original
_Submission_date 2005-12-01
_Accession_date 2005-12-02
_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 Dmitriev O. . .
2 Tsivkovski R. . .
3 Abildgaard F. . .
4 Morgan C. T. .
5 Markley J. L. .
6 Lutsenko S. . .
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" 645
"15N chemical shifts" 164
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-04-26 original author 'original release'
2007-02-09 update BMRB 'complete reference citation'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR assignment of the Wilson disease associated protein N-domain'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16868859
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Dmitriev O. . .
2 Tsivkovski R. . .
3 Abildgaard F. . .
4 Lutsenko S. . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 61
_Page_last 61
_Year 2006
_Details .
loop_
_Keyword
ATP7B
ATPase
'ATP binding'
'copper transport'
'nucleotide binding'
'P-TYPE ATPase'
'Wilson Disease'
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_citation
_Saveframe_category citation
_Citation_full .
_Citation_title
;
Solution structure of the N-domain of Wilson disease protein: Distinct
nucleotide-binding environment and effects of disease mutations
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16567646
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Dmitriev O. . .
2 Tsivkovski R. . .
3 Abildgaard F. . .
4 Morgan C. T. .
5 Markley J. L. .
6 Lutsenko S. . .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.'
_Journal_name_full .
_Journal_volume 103
_Journal_issue 14
_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 5302
_Page_last 5307
_Year 2006
_Details .
loop_
_Keyword
ATP7B
ATPase
'ATP binding'
'copper transport'
'nucleotide binding'
'P-TYPE ATPase'
'Wilson Disease'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_ATP7B_WDAP
_Saveframe_category molecular_system
_Mol_system_name 'WILSON DISEASE ATPASE'
_Abbreviation_common 'ATP7B, WDAP'
_Enzyme_commission_number E.C.3.6.3.4
loop_
_Mol_system_component_name
_Mol_label
'WILSON DISEASE ATPASE, N-domain' $ATP7B_WDAP
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'ATP-dependent copper transport'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_ATP7B_WDAP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Wilson Disease ATPase N-domain'
_Abbreviation_common 'ATP7B WDAP'
_Molecular_mass 17292
_Mol_thiol_state 'all free'
_Details 'ATP7B fragment comprising residues 1032-1196 (N-domain).'
##############################
# Polymer residue sequence #
##############################
_Residue_count 165
_Mol_residue_sequence
;
AGHMVPRVMRVLLLGDVATL
PLRKVLAVVGTAEASSEHPL
GVAVTKYCKEELGTETLGYC
TDFQAVPGCGIGCKVSNVEG
ILAHSERPLSAPASHLNEAG
SLPAEKDAVPQTFSVLIGNR
EWLRRNGLTISSDVSDAMTD
HEMKGQTAILVAIDGVLCGM
IAIAD
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1032 ALA 2 1033 GLY 3 1034 HIS 4 1035 MET 5 1036 VAL
6 1037 PRO 7 1038 ARG 8 1039 VAL 9 1040 MET 10 1041 ARG
11 1042 VAL 12 1043 LEU 13 1044 LEU 14 1045 LEU 15 1046 GLY
16 1047 ASP 17 1048 VAL 18 1049 ALA 19 1050 THR 20 1051 LEU
21 1052 PRO 22 1053 LEU 23 1054 ARG 24 1055 LYS 25 1056 VAL
26 1057 LEU 27 1058 ALA 28 1059 VAL 29 1060 VAL 30 1061 GLY
31 1062 THR 32 1063 ALA 33 1064 GLU 34 1065 ALA 35 1066 SER
36 1067 SER 37 1068 GLU 38 1069 HIS 39 1070 PRO 40 1071 LEU
41 1072 GLY 42 1073 VAL 43 1074 ALA 44 1075 VAL 45 1076 THR
46 1077 LYS 47 1078 TYR 48 1079 CYS 49 1080 LYS 50 1081 GLU
51 1082 GLU 52 1083 LEU 53 1084 GLY 54 1085 THR 55 1086 GLU
56 1087 THR 57 1088 LEU 58 1089 GLY 59 1090 TYR 60 1091 CYS
61 1092 THR 62 1093 ASP 63 1094 PHE 64 1095 GLN 65 1096 ALA
66 1097 VAL 67 1098 PRO 68 1099 GLY 69 1100 CYS 70 1101 GLY
71 1102 ILE 72 1103 GLY 73 1104 CYS 74 1105 LYS 75 1106 VAL
76 1107 SER 77 1108 ASN 78 1109 VAL 79 1110 GLU 80 1111 GLY
81 1112 ILE 82 1113 LEU 83 1114 ALA 84 1115 HIS 85 1116 SER
86 1117 GLU 87 1118 ARG 88 1119 PRO 89 1120 LEU 90 1121 SER
91 1122 ALA 92 1123 PRO 93 1124 ALA 94 1125 SER 95 1126 HIS
96 1127 LEU 97 1128 ASN 98 1129 GLU 99 1130 ALA 100 1131 GLY
101 1132 SER 102 1133 LEU 103 1134 PRO 104 1135 ALA 105 1136 GLU
106 1137 LYS 107 1138 ASP 108 1139 ALA 109 1140 VAL 110 1141 PRO
111 1142 GLN 112 1143 THR 113 1144 PHE 114 1145 SER 115 1146 VAL
116 1147 LEU 117 1148 ILE 118 1149 GLY 119 1150 ASN 120 1151 ARG
121 1152 GLU 122 1153 TRP 123 1154 LEU 124 1155 ARG 125 1156 ARG
126 1157 ASN 127 1158 GLY 128 1159 LEU 129 1160 THR 130 1161 ILE
131 1162 SER 132 1163 SER 133 1164 ASP 134 1165 VAL 135 1166 SER
136 1167 ASP 137 1168 ALA 138 1169 MET 139 1170 THR 140 1171 ASP
141 1172 HIS 142 1173 GLU 143 1174 MET 144 1175 LYS 145 1176 GLY
146 1177 GLN 147 1178 THR 148 1179 ALA 149 1180 ILE 150 1181 LEU
151 1182 VAL 152 1183 ALA 153 1184 ILE 154 1185 ASP 155 1186 GLY
156 1187 VAL 157 1188 LEU 158 1189 CYS 159 1190 GLY 160 1191 MET
161 1192 ILE 162 1193 ALA 163 1194 ILE 164 1195 ALA 165 1196 ASP
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 16761 ATP7B 100.00 165 100.00 100.00 3.77e-115
PDB 2ARF "Solution Structure Of The Wilson Atpase N-Domain In The Presence Of Atp" 100.00 165 100.00 100.00 3.77e-115
DBJ BAD92698 "ATPase, Cu++ transporting, beta polypeptide isoform a variant [Homo sapiens]" 98.79 662 98.77 98.77 2.07e-107
DBJ BAG63463 "unnamed protein product [Homo sapiens]" 70.30 676 97.41 99.14 1.69e-71
GB AAA79212 "ORF [Homo sapiens]" 98.79 762 99.39 99.39 4.22e-107
GB AAA92667 "copper transporting ATPase [Homo sapiens]" 98.79 1465 99.39 99.39 5.78e-103
GB AAB52902 "ATP7B [Homo sapiens]" 98.79 1465 98.77 98.77 2.40e-102
GB AAI17201 "ATP7B protein [Homo sapiens]" 98.79 1035 99.39 99.39 1.97e-104
GB AAI43974 "ATP7B protein [Homo sapiens]" 98.79 1400 98.77 98.77 2.00e-102
PIR S40525 "copper-transporting ATPase (EC 3.6.1.-) beta chain - human" 98.79 1411 97.55 97.55 1.26e-100
PRF 2001422A "Cu transporting ATPase P" 98.79 1411 97.55 97.55 1.32e-100
REF NP_000044 "copper-transporting ATPase 2 isoform a [Homo sapiens]" 98.79 1465 99.39 99.39 5.84e-103
REF NP_001005918 "copper-transporting ATPase 2 isoform b [Homo sapiens]" 98.79 1258 99.39 99.39 1.48e-103
REF NP_001230111 "copper-transporting ATPase 2 isoform c [Homo sapiens]" 98.79 1354 99.39 99.39 2.68e-103
REF XP_001103242 "PREDICTED: copper-transporting ATPase 2 [Macaca mulatta]" 98.79 1512 97.55 98.16 7.83e-101
REF XP_003270167 "PREDICTED: LOW QUALITY PROTEIN: copper-transporting ATPase 2 [Nomascus leucogenys]" 98.79 1466 96.93 96.93 1.72e-100
SP P35670 "RecName: Full=Copper-transporting ATPase 2; AltName: Full=Copper pump 2; AltName: Full=Wilson disease-associated protein; Conta" 98.79 1465 99.39 99.39 5.84e-103
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$ATP7B_WDAP 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
$ATP7B_WDAP '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
$ATP7B_WDAP 0.75 mM '[U-99% 13C; U-95% 15N]'
'sodium phosphate' 50 mM .
DTT 5 mM .
NaN3 50 mM .
ATP 5 mM .
H2O 95 % .
D2O 5 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Task
collection
stop_
_Details 'Bruker Inc'
save_
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 2000
loop_
_Task
'data analysis'
stop_
_Details 'Molecular Simulations Inc'
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.0
loop_
_Task
refinement
'structure solution'
stop_
_Details Guntert
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_4D_13C/15N-separated_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C/15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 50 . mM
pH 6.0 0.2 pH
pressure 1 . atm
temperature 300 1 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
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_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 'WILSON DISEASE ATPASE, N-domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 1 ALA HA H 4.15 0.03 .
2 . 1 ALA HB H 1.54 0.03 .
3 . 1 ALA C C 174.60 0.30 .
4 . 1 ALA CA C 52.10 0.30 .
5 . 1 ALA CB C 19.50 0.30 .
6 . 2 GLY H H 8.68 0.03 .
7 . 2 GLY HA2 H 3.95 0.03 .
8 . 2 GLY HA3 H 3.95 0.03 .
9 . 2 GLY C C 173.80 0.30 .
10 . 2 GLY CA C 45.30 0.30 .
11 . 2 GLY N N 108.50 0.20 .
12 . 3 HIS H H 8.53 0.03 .
13 . 3 HIS HA H 4.77 0.03 .
14 . 3 HIS HB2 H 3.22 0.03 .
15 . 3 HIS HB3 H 3.09 0.03 .
16 . 3 HIS C C 174.70 0.30 .
17 . 3 HIS CA C 55.70 0.30 .
18 . 3 HIS CB C 29.80 0.30 .
19 . 3 HIS N N 118.20 0.20 .
20 . 4 MET H H 8.49 0.03 .
21 . 4 MET HA H 4.50 0.03 .
22 . 4 MET HB2 H 2.00 0.03 .
23 . 4 MET HG2 H 2.51 0.03 .
24 . 4 MET C C 175.80 0.30 .
25 . 4 MET CA C 55.80 0.30 .
26 . 4 MET CB C 33.30 0.30 .
27 . 4 MET CG C 32.00 0.30 .
28 . 4 MET N N 121.60 0.20 .
29 . 5 VAL H H 8.27 0.03 .
30 . 5 VAL HA H 4.38 0.03 .
31 . 5 VAL HB H 1.87 0.03 .
32 . 5 VAL HG1 H 0.84 0.03 .
33 . 5 VAL HG2 H 0.92 0.03 .
34 . 5 VAL C C 173.60 0.30 .
35 . 5 VAL CA C 60.10 0.30 .
36 . 5 VAL CB C 33.20 0.30 .
37 . 5 VAL CG1 C 23.00 0.30 .
38 . 5 VAL CG2 C 20.4 0.30 .
39 . 5 VAL N N 121.80 0.20 .
40 . 6 PRO HA H 4.75 0.03 .
41 . 6 PRO HB2 H 1.51 0.03 .
42 . 6 PRO HB3 H 2.11 0.03 .
43 . 6 PRO HG2 H 1.86 0.03 .
44 . 6 PRO HG3 H 1.72 0.03 .
45 . 6 PRO HD2 H 3.69 0.03 .
46 . 6 PRO HD3 H 3.80 0.03 .
47 . 6 PRO C C 175.20 0.30 .
48 . 6 PRO CA C 62.90 0.30 .
49 . 6 PRO CB C 32.60 0.30 .
50 . 6 PRO CG C 27.20 0.30 .
51 . 6 PRO CD C 50.50 0.30 .
52 . 7 ARG H H 8.53 0.03 .
53 . 7 ARG HA H 4.72 0.03 .
54 . 7 ARG HB2 H 1.69 0.03 .
55 . 7 ARG HG2 H 1.58 0.03 .
56 . 7 ARG HD2 H 3.20 0.03 .
57 . 7 ARG HE H 7.39 0.03 .
58 . 7 ARG C C 175.50 0.30 .
59 . 7 ARG CA C 54.40 0.30 .
60 . 7 ARG CB C 33.70 0.30 .
61 . 7 ARG CG C 26.80 0.30 .
62 . 7 ARG CD C 43.60 0.30 .
63 . 7 ARG N N 117.40 0.20 .
64 . 7 ARG NE N 113.30 0.03 .
65 . 8 VAL H H 8.71 0.03 .
66 . 8 VAL HA H 3.61 0.03 .
67 . 8 VAL HB H 1.48 0.03 .
68 . 8 VAL HG1 H 0.53 0.03 .
69 . 8 VAL HG2 H -0.17 0.03 .
70 . 8 VAL C C 175.50 0.30 .
71 . 8 VAL CA C 64.10 0.30 .
72 . 8 VAL CB C 31.90 0.30 .
73 . 8 VAL CG1 C 22.70 0.30 .
74 . 8 VAL CG2 C 20.3 0.30 .
75 . 8 VAL N N 124.20 0.20 .
76 . 9 MET H H 9.10 0.03 .
77 . 9 MET HA H 4.64 0.03 .
78 . 9 MET HB2 H 2.01 0.03 .
79 . 9 MET HB3 H 1.69 0.03 .
80 . 9 MET HG2 H 2.50 0.03 .
81 . 9 MET HG3 H 2.42 0.03 .
82 . 9 MET C C 176.60 0.30 .
83 . 9 MET CA C 54.90 0.30 .
84 . 9 MET CB C 33.70 0.30 .
85 . 9 MET CG C 32.10 0.30 .
86 . 9 MET N N 125.10 0.20 .
87 . 10 ARG H H 7.29 0.03 .
88 . 10 ARG HA H 4.45 0.03 .
89 . 10 ARG HB2 H 1.64 0.03 .
90 . 10 ARG HB3 H 1.90 0.03 .
91 . 10 ARG HG2 H 1.47 0.03 .
92 . 10 ARG HG3 H 1.84 0.03 .
93 . 10 ARG HD2 H 3.24 0.03 .
94 . 10 ARG HD3 H 3.31 0.03 .
95 . 10 ARG C C 173.50 0.30 .
96 . 10 ARG CA C 56.00 0.30 .
97 . 10 ARG CB C 33.90 0.30 .
98 . 10 ARG CG C 26.70 0.30 .
99 . 10 ARG CD C 44.40 0.30 .
100 . 10 ARG N N 116.00 0.20 .
101 . 11 VAL H H 8.45 0.03 .
102 . 11 VAL HA H 4.51 0.03 .
103 . 11 VAL HB H 2.00 0.03 .
104 . 11 VAL HG1 H 0.66 0.03 .
105 . 11 VAL HG2 H 0.77 0.03 .
106 . 11 VAL C C 174.00 0.30 .
107 . 11 VAL CA C 62.30 0.30 .
108 . 11 VAL CB C 33.50 0.30 .
109 . 11 VAL CG1 C 19.80 0.30 .
110 . 11 VAL CG2 C 22.00 0.30 .
111 . 11 VAL N N 123.30 0.20 .
112 . 12 LEU H H 9.25 0.03 .
113 . 12 LEU HA H 4.71 0.03 .
114 . 12 LEU HB2 H 1.78 0.03 .
115 . 12 LEU HB3 H 1.30 0.03 .
116 . 12 LEU HG H 1.44 0.03 .
117 . 12 LEU HD1 H 0.94 0.03 .
118 . 12 LEU HD2 H 0.88 0.03 .
119 . 12 LEU C C 175.20 0.30 .
120 . 12 LEU CA C 53.40 0.30 .
121 . 12 LEU CB C 45.10 0.30 .
122 . 12 LEU CG C 25.50 0.30 .
123 . 12 LEU CD1 C 24.10 0.30 .
124 . 12 LEU N N 129.60 0.20 .
125 . 13 LEU H H 8.72 0.03 .
126 . 13 LEU HA H 4.83 0.03 .
127 . 13 LEU HB2 H 1.76 0.03 .
128 . 13 LEU HB3 H 1.74 0.03 .
129 . 13 LEU HG H 1.78 0.03 .
130 . 13 LEU HD1 H 1.04 0.03 .
131 . 13 LEU HD2 H 0.91 0.03 .
132 . 13 LEU C C 176.70 0.30 .
133 . 13 LEU CA C 54.60 0.30 .
134 . 13 LEU CB C 41.90 0.30 .
135 . 13 LEU CG C 26.90 0.30 .
136 . 13 LEU CD1 C 25.40 0.30 .
137 . 13 LEU CD2 C 23.40 0.30 .
138 . 13 LEU N N 125.10 0.20 .
139 . 14 LEU H H 7.56 0.03 .
140 . 14 LEU HA H 4.57 0.03 .
141 . 14 LEU HB2 H 1.18 0.03 .
142 . 14 LEU HB3 H 1.46 0.03 .
143 . 14 LEU HG H 1.35 0.03 .
144 . 14 LEU HD1 H 0.74 0.03 .
145 . 14 LEU HD2 H 0.82 0.03 .
146 . 14 LEU C C 176.60 0.30 .
147 . 14 LEU CA C 53.70 0.30 .
148 . 14 LEU CB C 44.30 0.30 .
149 . 14 LEU CG C 26.60 0.30 .
150 . 14 LEU CD1 C 26.40 0.30 .
151 . 14 LEU CD2 C 23.00 0.30 .
152 . 14 LEU N N 122.20 0.20 .
153 . 15 GLY H H 8.19 0.03 .
154 . 15 GLY HA2 H 4.03 0.03 .
155 . 15 GLY HA3 H 3.92 0.03 .
156 . 15 GLY C C 173.60 0.30 .
157 . 15 GLY CA C 45.10 0.30 .
158 . 15 GLY N N 107.80 0.20 .
159 . 16 ASP H H 8.44 0.03 .
160 . 16 ASP HA H 4.61 0.03 .
161 . 16 ASP HB2 H 2.61 0.03 .
162 . 16 ASP HB3 H 2.80 0.03 .
163 . 16 ASP C C 176.50 0.30 .
164 . 16 ASP CA C 54.40 0.30 .
165 . 16 ASP CB C 41.10 0.30 .
166 . 16 ASP N N 120.40 0.20 .
167 . 17 VAL H H 8.29 0.03 .
168 . 17 VAL HA H 4.04 0.03 .
169 . 17 VAL HB H 2.22 0.03 .
170 . 17 VAL HG1 H 0.97 0.03 .
171 . 17 VAL HG2 H 0.99 0.03 .
172 . 17 VAL C C 176.90 0.30 .
173 . 17 VAL CA C 62.90 0.30 .
174 . 17 VAL CB C 32.10 0.30 .
175 . 17 VAL CG1 C 20.40 0.30 .
176 . 17 VAL CG2 C 21.80 0.30 .
177 . 17 VAL N N 121.10 0.20 .
178 . 18 ALA H H 8.49 0.03 .
179 . 18 ALA HA H 4.24 0.03 .
180 . 18 ALA HB H 1.47 0.03 .
181 . 18 ALA C C 178.90 0.30 .
182 . 18 ALA CA C 54.20 0.30 .
183 . 18 ALA CB C 19.20 0.30 .
184 . 18 ALA N N 126.50 0.20 .
185 . 19 THR H H 7.64 0.03 .
186 . 19 THR HA H 4.27 0.03 .
187 . 19 THR HB H 4.37 0.03 .
188 . 19 THR HG2 H 1.25 0.03 .
189 . 19 THR C C 174.40 0.30 .
190 . 19 THR CA C 62.40 0.30 .
191 . 19 THR CB C 69.40 0.30 .
192 . 19 THR CG2 C 22.30 0.30 .
193 . 19 THR N N 108.30 0.20 .
194 . 20 LEU H H 7.80 0.03 .
195 . 20 LEU HA H 4.71 0.03 .
196 . 20 LEU HB2 H 1.55 0.03 .
197 . 20 LEU HB3 H 1.34 0.03 .
198 . 20 LEU HG H 1.54 0.03 .
199 . 20 LEU HD1 H 0.97 0.03 .
200 . 20 LEU HD2 H 0.86 0.03 .
201 . 20 LEU C C 172.10 0.30 .
202 . 20 LEU CA C 52.50 0.30 .
203 . 20 LEU CB C 43.50 0.30 .
204 . 20 LEU CG C 26.50 0.30 .
205 . 20 LEU CD1 C 21.6 0.3 .
206 . 20 LEU CD2 C 25.6 0.3 .
207 . 20 LEU N N 122.90 0.20 .
208 . 21 PRO HA H 4.62 0.03 .
209 . 21 PRO HB2 H 2.13 0.03 .
210 . 21 PRO HB3 H 2.48 0.03 .
211 . 21 PRO HG2 H 1.93 0.03 .
212 . 21 PRO HD2 H 3.50 0.03 .
213 . 21 PRO HD3 H 3.65 0.03 .
214 . 21 PRO C C 177.70 0.30 .
215 . 21 PRO CA C 62.50 0.30 .
216 . 21 PRO CB C 32.50 0.30 .
217 . 21 PRO CD C 50.3 0.30 .
218 . 22 LEU H H 8.79 0.03 .
219 . 22 LEU HA H 3.93 0.03 .
220 . 22 LEU HB2 H 1.84 0.03 .
221 . 22 LEU HB3 H 1.69 0.03 .
222 . 22 LEU HG H 1.49 0.03 .
223 . 22 LEU HD1 H 0.96 0.03 .
224 . 22 LEU HD2 H 1.02 0.03 .
225 . 22 LEU C C 178.20 0.30 .
226 . 22 LEU CA C 59.30 0.30 .
227 . 22 LEU CB C 41.90 0.30 .
228 . 22 LEU CG C 27.10 0.30 .
229 . 22 LEU CD1 C 22.40 0.30 .
230 . 22 LEU CD2 C 25.80 0.30 .
231 . 22 LEU N N 122.30 0.20 .
232 . 23 ARG H H 8.96 0.03 .
233 . 23 ARG HA H 3.75 0.03 .
234 . 23 ARG HB2 H 1.72 0.03 .
235 . 23 ARG HG2 H 1.75 0.03 .
236 . 23 ARG C C 177.80 0.30 .
237 . 23 ARG CA C 60.80 0.30 .
238 . 23 ARG CB C 30.10 0.30 .
239 . 23 ARG CG C 28.90 0.30 .
240 . 23 ARG N N 114.50 0.20 .
241 . 24 LYS H H 6.92 0.03 .
242 . 24 LYS HA H 3.91 0.03 .
243 . 24 LYS HB2 H 1.86 0.03 .
244 . 24 LYS HB3 H 1.80 0.03 .
245 . 24 LYS HE2 H 2.79 0.03 .
246 . 24 LYS HE3 H 2.90 0.03 .
247 . 24 LYS C C 177.40 0.30 .
248 . 24 LYS CA C 59.60 0.30 .
249 . 24 LYS CB C 32.90 0.30 .
250 . 24 LYS N N 116.40 0.20 .
251 . 25 VAL H H 7.88 0.03 .
252 . 25 VAL HA H 3.15 0.03 .
253 . 25 VAL HB H 2.19 0.03 .
254 . 25 VAL HG1 H 0.84 0.03 .
255 . 25 VAL HG2 H 0.68 0.03 .
256 . 25 VAL C C 178.10 0.30 .
257 . 25 VAL CA C 68.00 0.30 .
258 . 25 VAL CB C 31.60 0.30 .
259 . 25 VAL CG1 C 24.00 0.30 .
260 . 25 VAL CG2 C 20.40 0.30 .
261 . 25 VAL N N 118.70 0.20 .
262 . 26 LEU H H 8.82 0.03 .
263 . 26 LEU HA H 4.05 0.03 .
264 . 26 LEU HB2 H 2.02 0.03 .
265 . 26 LEU HB3 H 1.20 0.03 .
266 . 26 LEU HG H 2.02 0.03 .
267 . 26 LEU HD1 H 0.89 0.03 .
268 . 26 LEU HD2 H 0.89 0.03 .
269 . 26 LEU C C 179.30 0.30 .
270 . 26 LEU CA C 58.10 0.30 .
271 . 26 LEU CB C 41.50 0.30 .
272 . 26 LEU CG C 26.50 0.30 .
273 . 26 LEU CD1 C 26.20 0.30 .
274 . 26 LEU CD2 C 22.70 0.30 .
275 . 26 LEU N N 116.10 0.20 .
276 . 27 ALA H H 8.04 0.03 .
277 . 27 ALA HA H 3.84 0.03 .
278 . 27 ALA HB H 1.41 0.03 .
279 . 27 ALA C C 179.90 0.30 .
280 . 27 ALA CA C 55.60 0.30 .
281 . 27 ALA CB C 18.50 0.30 .
282 . 27 ALA N N 121.40 0.20 .
283 . 28 VAL H H 8.23 0.03 .
284 . 28 VAL HA H 3.51 0.03 .
285 . 28 VAL HB H 1.92 0.03 .
286 . 28 VAL HG1 H 0.63 0.03 .
287 . 28 VAL HG2 H 0.36 0.03 .
288 . 28 VAL C C 177.20 0.30 .
289 . 28 VAL CA C 67.10 0.30 .
290 . 28 VAL CB C 32.00 0.30 .
291 . 28 VAL CG1 C 23.20 0.30 .
292 . 28 VAL CG2 C 22.50 0.30 .
293 . 28 VAL N N 120.70 0.20 .
294 . 29 VAL H H 9.01 0.03 .
295 . 29 VAL HA H 3.43 0.03 .
296 . 29 VAL HB H 2.14 0.03 .
297 . 29 VAL HG1 H 0.73 0.03 .
298 . 29 VAL HG2 H 0.96 0.03 .
299 . 29 VAL C C 177.70 0.30 .
300 . 29 VAL CA C 66.80 0.30 .
301 . 29 VAL CB C 31.70 0.30 .
302 . 29 VAL CG1 C 22.20 0.30 .
303 . 29 VAL CG2 C 25.30 0.30 .
304 . 29 VAL N N 118.80 0.20 .
305 . 30 GLY H H 8.96 0.03 .
306 . 30 GLY HA2 H 3.41 0.03 .
307 . 30 GLY HA3 H 3.59 0.03 .
308 . 30 GLY C C 174.40 0.30 .
309 . 30 GLY CA C 48.40 0.30 .
310 . 30 GLY N N 107.60 0.20 .
311 . 31 THR H H 7.40 0.03 .
312 . 31 THR HA H 3.78 0.03 .
313 . 31 THR HB H 4.27 0.03 .
314 . 31 THR HG2 H 1.12 0.03 .
315 . 31 THR C C 175.20 0.30 .
316 . 31 THR CA C 67.70 0.30 .
317 . 31 THR CB C 68.80 0.30 .
318 . 31 THR CG2 C 22.80 0.30 .
319 . 31 THR N N 115.90 0.20 .
320 . 32 ALA H H 7.88 0.03 .
321 . 32 ALA HA H 4.35 0.03 .
322 . 32 ALA HB H 1.36 0.03 .
323 . 32 ALA C C 178.40 0.30 .
324 . 32 ALA CA C 55.20 0.30 .
325 . 32 ALA CB C 20.80 0.30 .
326 . 32 ALA N N 122.60 0.20 .
327 . 33 GLU H H 8.02 0.03 .
328 . 33 GLU HA H 4.56 0.03 .
329 . 33 GLU HB2 H 2.18 0.03 .
330 . 33 GLU HB3 H 1.77 0.03 .
331 . 33 GLU HG2 H 2.50 0.03 .
332 . 33 GLU C C 179.00 0.30 .
333 . 33 GLU CA C 56.70 0.30 .
334 . 33 GLU CB C 28.10 0.30 .
335 . 33 GLU CG C 27.8 0.30 .
336 . 33 GLU N N 110.10 0.20 .
337 . 34 ALA H H 7.81 0.03 .
338 . 34 ALA HA H 4.24 0.03 .
339 . 34 ALA HB H 1.53 0.03 .
340 . 34 ALA C C 179.30 0.30 .
341 . 34 ALA CA C 54.80 0.30 .
342 . 34 ALA CB C 18.00 0.30 .
343 . 34 ALA N N 124.10 0.20 .
344 . 35 SER H H 7.35 0.03 .
345 . 35 SER HA H 4.26 0.03 .
346 . 35 SER HB2 H 3.14 0.03 .
347 . 35 SER HB3 H 3.26 0.03 .
348 . 35 SER C C 172.90 0.30 .
349 . 35 SER CA C 59.30 0.30 .
350 . 35 SER CB C 64.20 0.30 .
351 . 35 SER N N 111.50 0.20 .
352 . 36 SER H H 7.73 0.03 .
353 . 36 SER HA H 4.32 0.03 .
354 . 36 SER HB2 H 4.28 0.03 .
355 . 36 SER HB3 H 4.03 0.03 .
356 . 36 SER C C 175.40 0.30 .
357 . 36 SER CA C 57.80 0.30 .
358 . 36 SER CB C 65.40 0.30 .
359 . 36 SER N N 114.50 0.20 .
360 . 37 GLU H H 8.81 0.03 .
361 . 37 GLU HA H 4.44 0.03 .
362 . 37 GLU HB2 H 2.24 0.03 .
363 . 37 GLU HB3 H 1.90 0.03 .
364 . 37 GLU HG2 H 2.24 0.03 .
365 . 37 GLU C C 176.00 0.30 .
366 . 37 GLU CA C 55.80 0.30 .
367 . 37 GLU CB C 29.90 0.30 .
368 . 37 GLU CG C 36.40 0.30 .
369 . 37 GLU N N 126.20 0.20 .
370 . 38 HIS H H 8.45 0.03 .
371 . 38 HIS HA H 4.61 0.03 .
372 . 38 HIS HB2 H 3.34 0.03 .
373 . 38 HIS HB3 H 2.94 0.03 .
374 . 38 HIS C C 175.20 0.30 .
375 . 38 HIS CA C 56.30 0.30 .
376 . 38 HIS CB C 33.40 0.30 .
377 . 38 HIS N N 125.40 0.20 .
378 . 40 LEU HA H 3.85 0.03 .
379 . 40 LEU HB2 H 1.77 0.03 .
380 . 40 LEU HB3 H 1.57 0.03 .
381 . 40 LEU HG H 1.67 0.03 .
382 . 40 LEU HD1 H 0.13 0.03 .
383 . 40 LEU HD2 H 0.47 0.03 .
384 . 40 LEU C C 179.40 0.30 .
385 . 40 LEU CA C 58.50 0.30 .
386 . 40 LEU CB C 41.60 0.30 .
387 . 40 LEU CD1 C 25.30 0.30 .
388 . 40 LEU CD2 C 23.00 0.30 .
389 . 41 GLY H H 7.51 0.03 .
390 . 41 GLY HA2 H 3.88 0.03 .
391 . 41 GLY HA3 H 3.74 0.03 .
392 . 41 GLY C C 177.10 0.30 .
393 . 41 GLY CA C 48.30 0.30 .
394 . 41 GLY N N 106.80 0.20 .
395 . 42 VAL H H 8.30 0.03 .
396 . 42 VAL HA H 3.80 0.03 .
397 . 42 VAL HB H 2.04 0.03 .
398 . 42 VAL HG1 H 1.00 0.03 .
399 . 42 VAL HG2 H 0.94 0.03 .
400 . 42 VAL C C 179.20 0.30 .
401 . 42 VAL CA C 66.20 0.30 .
402 . 42 VAL CB C 32.30 0.30 .
403 . 42 VAL CG1 C 21.20 0.30 .
404 . 42 VAL CG2 C 21.90 0.30 .
405 . 42 VAL N N 125.50 0.20 .
406 . 43 ALA H H 7.76 0.03 .
407 . 43 ALA HA H 4.16 0.03 .
408 . 43 ALA HB H 1.32 0.03 .
409 . 43 ALA C C 181.40 0.30 .
410 . 43 ALA CA C 55.20 0.30 .
411 . 43 ALA CB C 18.90 0.30 .
412 . 43 ALA N N 120.90 0.20 .
413 . 44 VAL H H 8.36 0.03 .
414 . 44 VAL HA H 3.54 0.03 .
415 . 44 VAL HB H 2.04 0.03 .
416 . 44 VAL HG1 H 0.87 0.03 .
417 . 44 VAL HG2 H 0.51 0.03 .
418 . 44 VAL C C 177.80 0.30 .
419 . 44 VAL CA C 67.10 0.30 .
420 . 44 VAL CB C 32.10 0.30 .
421 . 44 VAL CG1 C 24.00 0.30 .
422 . 44 VAL CG2 C 22.6 0.30 .
423 . 44 VAL N N 119.10 0.20 .
424 . 45 THR H H 8.68 0.03 .
425 . 45 THR HA H 3.56 0.03 .
426 . 45 THR HB H 4.16 0.03 .
427 . 45 THR HG2 H 1.16 0.03 .
428 . 45 THR C C 175.80 0.30 .
429 . 45 THR CA C 69.80 0.30 .
430 . 45 THR CB C 68.10 0.30 .
431 . 45 THR CG2 C 21.60 0.30 .
432 . 45 THR N N 119.60 0.20 .
433 . 46 LYS H H 7.88 0.03 .
434 . 46 LYS HA H 3.91 0.03 .
435 . 46 LYS HB2 H 1.93 0.03 .
436 . 46 LYS HG2 H 1.43 0.03 .
437 . 46 LYS HG3 H 1.56 0.03 .
438 . 46 LYS HD2 H 1.70 0.03 .
439 . 46 LYS HE2 H 3.06 0.03 .
440 . 46 LYS C C 178.20 0.30 .
441 . 46 LYS CA C 60.30 0.30 .
442 . 46 LYS CB C 33.20 0.30 .
443 . 46 LYS CG C 25.10 0.30 .
444 . 46 LYS CD C 30.00 0.30 .
445 . 46 LYS CE C 42.30 0.30 .
446 . 46 LYS N N 120.30 0.20 .
447 . 47 TYR H H 7.64 0.03 .
448 . 47 TYR HA H 4.32 0.03 .
449 . 47 TYR HB2 H 3.18 0.03 .
450 . 47 TYR HD1 H 7.09 0.03 .
451 . 47 TYR C C 177.30 0.30 .
452 . 47 TYR CA C 61.60 0.30 .
453 . 47 TYR CB C 39.40 0.30 .
454 . 47 TYR N N 118.40 0.20 .
455 . 48 CYS H H 8.55 0.03 .
456 . 48 CYS HA H 3.82 0.03 .
457 . 48 CYS HB2 H 2.54 0.03 .
458 . 48 CYS HB3 H 3.07 0.03 .
459 . 48 CYS C C 176.70 0.30 .
460 . 48 CYS CA C 65.40 0.30 .
461 . 48 CYS CB C 27.20 0.30 .
462 . 48 CYS N N 116.40 0.20 .
463 . 49 LYS H H 8.34 0.03 .
464 . 49 LYS HA H 3.91 0.03 .
465 . 49 LYS HB2 H 1.93 0.03 .
466 . 49 LYS HB3 H 1.87 0.03 .
467 . 49 LYS HG2 H 1.24 0.03 .
468 . 49 LYS HD2 H 1.68 0.30 .
469 . 49 LYS C C 179.70 0.30 .
470 . 49 LYS CA C 61.30 0.30 .
471 . 49 LYS CB C 33.30 0.30 .
472 . 49 LYS CG C 27.10 0.30 .
473 . 49 LYS CD C 30.3 0.30 .
474 . 49 LYS N N 117.60 0.20 .
475 . 50 GLU H H 7.96 0.03 .
476 . 50 GLU HA H 3.93 0.03 .
477 . 50 GLU HB2 H 1.96 0.03 .
478 . 50 GLU HB3 H 2.24 0.03 .
479 . 50 GLU HG2 H 2.44 0.03 .
480 . 50 GLU HG3 H 2.20 0.03 .
481 . 50 GLU C C 179.80 0.30 .
482 . 50 GLU CA C 59.50 0.30 .
483 . 50 GLU CB C 29.30 0.30 .
484 . 50 GLU CG C 36.60 0.30 .
485 . 50 GLU N N 119.10 0.20 .
486 . 51 GLU H H 8.34 0.03 .
487 . 51 GLU HB2 H 1.62 0.03 .
488 . 51 GLU HB3 H 1.77 0.03 .
489 . 51 GLU HG2 H 1.63 0.03 .
490 . 51 GLU C C 179.40 0.30 .
491 . 51 GLU CA C 58.40 0.30 .
492 . 51 GLU CB C 30.40 0.30 .
493 . 51 GLU CG C 35.80 0.30 .
494 . 51 GLU N N 118.40 0.20 .
495 . 52 LEU H H 8.10 0.03 .
496 . 52 LEU HA H 4.17 0.03 .
497 . 52 LEU HB2 H 1.88 0.03 .
498 . 52 LEU HB3 H 1.28 0.03 .
499 . 52 LEU HG H 1.74 0.03 .
500 . 52 LEU HD1 H 0.90 0.03 .
501 . 52 LEU HD2 H 0.63 0.03 .
502 . 52 LEU C C 178.20 0.30 .
503 . 52 LEU CA C 55.60 0.30 .
504 . 52 LEU CB C 43.80 0.30 .
505 . 52 LEU CG C 27.00 0.30 .
506 . 52 LEU CD1 C 22.90 0.30 .
507 . 52 LEU CD2 C 25.00 0.30 .
508 . 52 LEU N N 115.80 0.20 .
509 . 53 GLY H H 7.82 0.03 .
510 . 53 GLY HA2 H 3.85 0.03 .
511 . 53 GLY HA3 H 3.95 0.03 .
512 . 53 GLY C C 174.00 0.30 .
513 . 53 GLY CA C 46.60 0.30 .
514 . 53 GLY N N 108.50 0.20 .
515 . 54 THR H H 7.63 0.03 .
516 . 54 THR HA H 4.75 0.03 .
517 . 54 THR HB H 3.94 0.03 .
518 . 54 THR HG2 H 1.01 0.03 .
519 . 54 THR C C 171.50 0.30 .
520 . 54 THR CA C 59.10 0.30 .
521 . 54 THR CB C 70.20 0.30 .
522 . 54 THR CG2 C 19.80 0.30 .
523 . 54 THR N N 111.80 0.20 .
524 . 55 GLU H H 8.32 0.03 .
525 . 55 GLU HA H 4.36 0.03 .
526 . 55 GLU HB2 H 1.88 0.03 .
527 . 55 GLU HB3 H 2.20 0.03 .
528 . 55 GLU HG2 H 2.30 0.03 .
529 . 55 GLU C C 176.50 0.30 .
530 . 55 GLU CA C 56.30 0.30 .
531 . 55 GLU CB C 31.00 0.30 .
532 . 55 GLU CG C 36.50 0.30 .
533 . 55 GLU N N 122.10 0.20 .
534 . 56 THR H H 8.04 0.03 .
535 . 56 THR HA H 4.35 0.03 .
536 . 56 THR HB H 4.00 0.03 .
537 . 56 THR HG2 H 1.24 0.03 .
538 . 56 THR C C 173.40 0.30 .
539 . 56 THR CA C 61.80 0.30 .
540 . 56 THR CB C 70.30 0.30 .
541 . 56 THR CG2 C 21.80 0.30 .
542 . 56 THR N N 115.60 0.20 .
543 . 57 LEU H H 8.43 0.03 .
544 . 57 LEU HA H 4.62 0.03 .
545 . 57 LEU HB2 H 1.73 0.03 .
546 . 57 LEU HB3 H 1.62 0.03 .
547 . 57 LEU HG H 1.36 0.03 .
548 . 57 LEU HD1 H 0.71 0.03 .
549 . 57 LEU HD2 H 0.77 0.03 .
550 . 57 LEU C C 176.40 0.30 .
551 . 57 LEU CA C 53.20 0.30 .
552 . 57 LEU CB C 42.30 0.30 .
553 . 57 LEU CG C 27.00 0.30 .
554 . 57 LEU CD1 C 22.90 0.30 .
555 . 57 LEU CD2 C 26.40 0.30 .
556 . 57 LEU N N 125.60 0.20 .
557 . 58 GLY H H 7.81 0.03 .
558 . 58 GLY HA2 H 4.43 0.03 .
559 . 58 GLY HA3 H 3.50 0.03 .
560 . 58 GLY C C 172.60 0.30 .
561 . 58 GLY CA C 45.20 0.30 .
562 . 58 GLY N N 106.70 0.20 .
563 . 59 TYR H H 8.61 0.03 .
564 . 59 TYR HA H 5.05 0.03 .
565 . 59 TYR HB2 H 2.97 0.03 .
566 . 59 TYR HB3 H 2.97 0.03 .
567 . 59 TYR HD1 H 7.08 0.03 .
568 . 59 TYR C C 174.10 0.30 .
569 . 59 TYR CA C 55.60 0.30 .
570 . 59 TYR CB C 40.30 0.30 .
571 . 59 TYR N N 120.30 0.20 .
572 . 60 CYS H H 8.58 0.03 .
573 . 60 CYS HA H 5.46 0.03 .
574 . 60 CYS HB2 H 2.78 0.03 .
575 . 60 CYS HB3 H 2.83 0.03 .
576 . 60 CYS C C 174.00 0.30 .
577 . 60 CYS CA C 56.30 0.30 .
578 . 60 CYS CB C 29.90 0.30 .
579 . 60 CYS N N 125.70 0.20 .
580 . 61 THR H H 9.17 0.03 .
581 . 61 THR HA H 4.72 0.03 .
582 . 61 THR HB H 4.15 0.03 .
583 . 61 THR HG2 H 1.06 0.03 .
584 . 61 THR C C 172.80 0.30 .
585 . 61 THR CA C 60.30 0.30 .
586 . 61 THR CB C 71.80 0.30 .
587 . 61 THR CG2 C 21.80 0.30 .
588 . 61 THR N N 118.90 0.20 .
589 . 62 ASP H H 8.82 0.03 .
590 . 62 ASP HA H 4.29 0.03 .
591 . 62 ASP HB2 H 2.92 0.03 .
592 . 62 ASP HB3 H 2.65 0.03 .
593 . 62 ASP C C 174.80 0.30 .
594 . 62 ASP CA C 55.30 0.30 .
595 . 62 ASP CB C 39.60 0.30 .
596 . 62 ASP N N 118.10 0.20 .
597 . 63 PHE H H 8.33 0.03 .
598 . 63 PHE HA H 4.55 0.03 .
599 . 63 PHE HB2 H 2.92 0.03 .
600 . 63 PHE HB3 H 3.04 0.03 .
601 . 63 PHE HD1 H 7.05 0.03 .
602 . 63 PHE C C 176.10 0.30 .
603 . 63 PHE CA C 60.10 0.30 .
604 . 63 PHE CB C 40.30 0.30 .
605 . 63 PHE N N 118.00 0.20 .
606 . 64 GLN H H 8.61 0.03 .
607 . 64 GLN HA H 4.45 0.03 .
608 . 64 GLN HB2 H 1.90 0.03 .
609 . 64 GLN HB3 H 1.80 0.03 .
610 . 64 GLN HG2 H 2.20 0.03 .
611 . 64 GLN HG3 H 2.16 0.03 .
612 . 64 GLN HE21 H 6.77 0.03 .
613 . 64 GLN HE22 H 7.42 0.03 .
614 . 64 GLN C C 172.30 0.30 .
615 . 64 GLN CA C 54.90 0.30 .
616 . 64 GLN CB C 32.10 0.30 .
617 . 64 GLN CG C 33.60 0.30 .
618 . 64 GLN N N 128.40 0.20 .
619 . 64 GLN NE2 N 110.90 0.03 .
620 . 65 ALA H H 8.43 0.03 .
621 . 65 ALA HA H 4.52 0.03 .
622 . 65 ALA HB H 1.31 0.03 .
623 . 65 ALA C C 176.60 0.30 .
624 . 65 ALA CA C 50.40 0.30 .
625 . 65 ALA CB C 20.60 0.30 .
626 . 65 ALA N N 125.60 0.20 .
627 . 66 VAL H H 8.36 0.03 .
628 . 66 VAL HA H 4.33 0.03 .
629 . 66 VAL HB H 2.05 0.03 .
630 . 66 VAL HG1 H 0.57 0.03 .
631 . 66 VAL HG2 H 0.70 0.03 .
632 . 66 VAL C C 174.10 0.30 .
633 . 66 VAL CA C 59.40 0.30 .
634 . 66 VAL CB C 33.20 0.30 .
635 . 66 VAL CG1 C 21.50 0.30 .
636 . 66 VAL CG2 C 20.60 0.30 .
637 . 66 VAL N N 125.10 0.20 .
638 . 67 PRO HA H 4.34 0.03 .
639 . 67 PRO HB2 H 2.48 0.03 .
640 . 67 PRO HB3 H 2.06 0.03 .
641 . 67 PRO HG2 H 1.97 0.03 .
642 . 67 PRO HG3 H 2.17 0.03 .
643 . 67 PRO HD2 H 3.78 0.03 .
644 . 67 PRO HD3 H 3.98 0.03 .
645 . 67 PRO C C 177.30 0.30 .
646 . 67 PRO CA C 63.90 0.30 .
647 . 67 PRO CB C 32.30 0.30 .
648 . 67 PRO CD C 52.6 0.30 .
649 . 68 GLY H H 9.62 0.03 .
650 . 68 GLY HA2 H 3.92 0.03 .
651 . 68 GLY HA3 H 4.23 0.03 .
652 . 68 GLY C C 174.50 0.30 .
653 . 68 GLY CA C 45.90 0.30 .
654 . 68 GLY N N 112.60 0.20 .
655 . 69 CYS H H 7.65 0.03 .
656 . 69 CYS HA H 4.89 0.03 .
657 . 69 CYS HB2 H 2.48 0.03 .
658 . 69 CYS HB3 H 2.03 0.03 .
659 . 69 CYS C C 171.50 0.30 .
660 . 69 CYS CA C 61.40 0.30 .
661 . 69 CYS CB C 31.70 0.30 .
662 . 69 CYS N N 117.40 0.20 .
663 . 70 GLY H H 6.81 0.03 .
664 . 70 GLY HA2 H 3.86 0.03 .
665 . 70 GLY HA3 H 1.63 0.03 .
666 . 70 GLY C C 170.50 0.30 .
667 . 70 GLY CA C 44.10 0.30 .
668 . 70 GLY N N 102.70 0.20 .
669 . 71 ILE H H 8.39 0.03 .
670 . 71 ILE HA H 5.08 0.03 .
671 . 71 ILE HB H 1.39 0.03 .
672 . 71 ILE HG12 H 1.17 0.03 .
673 . 71 ILE HG2 H 0.55 0.03 .
674 . 71 ILE HD1 H 0.75 0.03 .
675 . 71 ILE C C 176.60 0.30 .
676 . 71 ILE CA C 58.00 0.30 .
677 . 71 ILE CB C 43.00 0.30 .
678 . 71 ILE CG1 C 26.60 0.30 .
679 . 71 ILE CG2 C 19.40 0.30 .
680 . 71 ILE CD1 C 14.90 0.30 .
681 . 71 ILE N N 111.10 0.20 .
682 . 72 GLY H H 8.63 0.03 .
683 . 72 GLY HA2 H 5.41 0.03 .
684 . 72 GLY HA3 H 4.10 0.03 .
685 . 72 GLY C C 171.50 0.30 .
686 . 72 GLY CA C 45.30 0.30 .
687 . 72 GLY N N 112.50 0.20 .
688 . 73 CYS H H 8.62 0.03 .
689 . 73 CYS HA H 5.05 0.03 .
690 . 73 CYS HB2 H 3.27 0.03 .
691 . 73 CYS HB3 H 3.63 0.03 .
692 . 73 CYS C C 172.30 0.30 .
693 . 73 CYS CA C 57.20 0.30 .
694 . 73 CYS CB C 30.50 0.30 .
695 . 73 CYS N N 113.00 0.20 .
696 . 74 LYS H H 8.86 0.03 .
697 . 74 LYS HA H 5.61 0.03 .
698 . 74 LYS HB2 H 1.83 0.03 .
699 . 74 LYS HB3 H 1.55 0.03 .
700 . 74 LYS HG2 H 1.40 0.03 .
701 . 74 LYS HG3 H 1.62 0.03 .
702 . 74 LYS HD2 H 1.69 0.03 .
703 . 74 LYS HE2 H 2.92 0.03 .
704 . 74 LYS C C 176.30 0.30 .
705 . 74 LYS CA C 55.30 0.30 .
706 . 74 LYS CB C 34.80 0.30 .
707 . 74 LYS CG C 25.70 0.30 .
708 . 74 LYS CD C 29.60 0.30 .
709 . 74 LYS CE C 42.60 0.30 .
710 . 74 LYS N N 118.20 0.20 .
711 . 75 VAL H H 9.28 0.03 .
712 . 75 VAL HA H 5.25 0.03 .
713 . 75 VAL HB H 1.96 0.03 .
714 . 75 VAL HG1 H 1.13 0.03 .
715 . 75 VAL HG2 H 1.18 0.03 .
716 . 75 VAL C C 174.40 0.30 .
717 . 75 VAL CA C 60.50 0.30 .
718 . 75 VAL CB C 36.30 0.30 .
719 . 75 VAL CG1 C 22.30 0.30 .
720 . 75 VAL CG2 C 23.80 0.30 .
721 . 75 VAL N N 120.90 0.20 .
722 . 76 SER H H 9.18 0.03 .
723 . 76 SER HA H 5.34 0.03 .
724 . 76 SER HB2 H 4.48 0.03 .
725 . 76 SER HB3 H 3.92 0.03 .
726 . 76 SER C C 173.80 0.30 .
727 . 76 SER CA C 57.00 0.30 .
728 . 76 SER CB C 66.90 0.30 .
729 . 76 SER N N 119.10 0.20 .
730 . 77 ASN H H 9.17 0.03 .
731 . 77 ASN HA H 4.73 0.03 .
732 . 77 ASN HB2 H 3.15 0.03 .
733 . 77 ASN HB3 H 2.59 0.03 .
734 . 77 ASN HD21 H 6.83 0.03 .
735 . 77 ASN HD22 H 7.15 0.03 .
736 . 77 ASN C C 175.60 0.30 .
737 . 77 ASN CA C 54.60 0.30 .
738 . 77 ASN CB C 38.20 0.30 .
739 . 77 ASN N N 117.70 0.20 .
740 . 77 ASN ND2 N 111.30 0.03 .
741 . 78 VAL H H 8.42 0.03 .
742 . 78 VAL HA H 4.32 0.03 .
743 . 78 VAL HB H 2.29 0.03 .
744 . 78 VAL HG1 H 0.85 0.03 .
745 . 78 VAL HG2 H 0.72 0.03 .
746 . 78 VAL C C 177.10 0.30 .
747 . 78 VAL CA C 62.00 0.30 .
748 . 78 VAL CB C 32.20 0.30 .
749 . 78 VAL CG1 C 19.70 0.30 .
750 . 78 VAL CG2 C 22.00 0.30 .
751 . 78 VAL N N 108.70 0.20 .
752 . 79 GLU H H 9.25 0.03 .
753 . 79 GLU HA H 3.91 0.03 .
754 . 79 GLU HB2 H 2.06 0.03 .
755 . 79 GLU HB3 H 2.06 0.03 .
756 . 79 GLU HG2 H 2.32 0.03 .
757 . 79 GLU HG3 H 2.55 0.03 .
758 . 79 GLU C C 179.20 0.30 .
759 . 79 GLU CA C 61.00 0.30 .
760 . 79 GLU CB C 28.60 0.30 .
761 . 79 GLU CG C 37.20 0.30 .
762 . 79 GLU N N 122.30 0.20 .
763 . 80 GLY H H 8.49 0.03 .
764 . 80 GLY HA2 H 3.85 0.03 .
765 . 80 GLY HA3 H 3.91 0.03 .
766 . 80 GLY C C 175.90 0.30 .
767 . 80 GLY CA C 46.60 0.30 .
768 . 80 GLY N N 107.10 0.20 .
769 . 81 ILE H H 7.38 0.03 .
770 . 81 ILE HA H 3.95 0.03 .
771 . 81 ILE HB H 1.93 0.03 .
772 . 81 ILE HG12 H 1.14 0.03 .
773 . 81 ILE HG13 H 1.58 0.03 .
774 . 81 ILE HG2 H 0.93 0.03 .
775 . 81 ILE HD1 H 0.86 0.03 .
776 . 81 ILE C C 177.80 0.30 .
777 . 81 ILE CA C 63.00 0.30 .
778 . 81 ILE CB C 38.80 0.30 .
779 . 81 ILE CG1 C 27.80 0.30 .
780 . 81 ILE CG2 C 18.70 0.30 .
781 . 81 ILE CD1 C 14.50 0.30 .
782 . 81 ILE N N 119.00 0.20 .
783 . 82 LEU H H 7.50 0.03 .
784 . 82 LEU HA H 4.09 0.03 .
785 . 82 LEU HB2 H 1.58 0.03 .
786 . 82 LEU HB3 H 1.80 0.03 .
787 . 82 LEU HG H 1.72 0.03 .
788 . 82 LEU HD1 H 0.77 0.03 .
789 . 82 LEU HD2 H 0.86 0.03 .
790 . 82 LEU C C 177.70 0.30 .
791 . 82 LEU CA C 56.00 0.30 .
792 . 82 LEU CB C 41.60 0.30 .
793 . 82 LEU CG C 26.70 0.30 .
794 . 82 LEU CD1 C 22.90 0.30 .
795 . 82 LEU CD2 C 25.60 0.30 .
796 . 82 LEU N N 119.30 0.20 .
797 . 83 ALA H H 7.76 0.03 .
798 . 83 ALA HA H 4.27 0.03 .
799 . 83 ALA HB H 1.37 0.03 .
800 . 83 ALA C C 177.70 0.30 .
801 . 83 ALA CA C 53.20 0.30 .
802 . 83 ALA CB C 19.30 0.30 .
803 . 83 ALA N N 121.30 0.20 .
804 . 84 HIS H H 8.02 0.03 .
805 . 84 HIS HA H 4.65 0.03 .
806 . 84 HIS HB2 H 3.21 0.03 .
807 . 84 HIS HB3 H 3.34 0.03 .
808 . 84 HIS C C 174.90 0.30 .
809 . 84 HIS CA C 56.30 0.30 .
810 . 84 HIS CB C 29.40 0.30 .
811 . 84 HIS N N 116.60 0.20 .
812 . 85 SER H H 8.16 0.03 .
813 . 85 SER HA H 4.44 0.03 .
814 . 85 SER HB2 H 3.85 0.03 .
815 . 85 SER HB3 H 3.93 0.03 .
816 . 85 SER C C 174.40 0.30 .
817 . 85 SER CA C 58.70 0.30 .
818 . 85 SER CB C 64.10 0.30 .
819 . 85 SER N N 115.90 0.20 .
820 . 86 GLU H H 8.43 0.03 .
821 . 86 GLU HA H 4.32 0.03 .
822 . 86 GLU HB2 H 1.96 0.03 .
823 . 86 GLU HB3 H 2.07 0.03 .
824 . 86 GLU HG2 H 2.29 0.03 .
825 . 86 GLU C C 176.20 0.30 .
826 . 86 GLU CA C 56.70 0.30 .
827 . 86 GLU CB C 30.50 0.30 .
828 . 86 GLU CG C 36.20 0.30 .
829 . 86 GLU N N 122.60 0.20 .
830 . 87 ARG H H 8.23 0.03 .
831 . 87 ARG HA H 4.63 0.03 .
832 . 87 ARG HB2 H 1.85 0.03 .
833 . 87 ARG HB3 H 1.72 0.03 .
834 . 87 ARG HG2 H 1.72 0.03 .
835 . 87 ARG HD2 H 2.85 0.03 .
836 . 87 ARG C C 174.10 0.30 .
837 . 87 ARG CA C 54.10 0.30 .
838 . 87 ARG CB C 30.50 0.30 .
839 . 87 ARG CG C 27.00 0.30 .
840 . 87 ARG N N 122.30 0.20 .
841 . 88 PRO HA H 4.47 0.03 .
842 . 88 PRO HB2 H 2.32 0.03 .
843 . 88 PRO HG2 H 1.94 0.03 .
844 . 88 PRO HG3 H 2.04 0.03 .
845 . 88 PRO HD2 H 3.65 0.03 .
846 . 88 PRO HD3 H 3.81 0.03 .
847 . 88 PRO C C 177.20 0.30 .
848 . 88 PRO CA C 63.30 0.30 .
849 . 88 PRO CB C 32.20 0.30 .
850 . 88 PRO CG C 27.70 0.30 .
851 . 88 PRO CD C 50.70 0.30 .
852 . 89 LEU H H 8.42 0.03 .
853 . 89 LEU HA H 4.31 0.03 .
854 . 89 LEU HB2 H 1.67 0.03 .
855 . 89 LEU HG H 1.70 0.03 .
856 . 89 LEU HD1 H 0.94 0.03 .
857 . 89 LEU HD2 H 0.74 0.03 .
858 . 89 LEU C C 177.70 0.30 .
859 . 89 LEU CA C 55.70 0.30 .
860 . 89 LEU CB C 42.40 0.30 .
861 . 89 LEU CG C 27.00 0.30 .
862 . 89 LEU CD1 C 23.60 0.30 .
863 . 89 LEU CD2 C 24.80 0.30 .
864 . 89 LEU N N 122.10 0.20 .
865 . 90 SER H H 8.15 0.03 .
866 . 90 SER HA H 4.42 0.03 .
867 . 90 SER HB2 H 3.85 0.03 .
868 . 90 SER C C 173.80 0.30 .
869 . 90 SER CA C 58.20 0.30 .
870 . 90 SER CB C 64.00 0.30 .
871 . 90 SER N N 115.20 0.20 .
872 . 91 ALA H H 8.15 0.03 .
873 . 91 ALA HA H 4.61 0.03 .
874 . 91 ALA HB H 1.35 0.03 .
875 . 91 ALA C C 175.40 0.30 .
876 . 91 ALA CA C 50.80 0.30 .
877 . 91 ALA CB C 18.60 0.30 .
878 . 91 ALA N N 126.40 0.20 .
879 . 92 PRO HA H 4.41 0.03 .
880 . 92 PRO HB2 H 2.32 0.03 .
881 . 92 PRO HB3 H 1.93 0.03 .
882 . 92 PRO HG2 H 2.04 0.03 .
883 . 92 PRO HG3 H 1.72 0.03 .
884 . 92 PRO HD2 H 3.65 0.03 .
885 . 92 PRO HD3 H 3.81 0.03 .
886 . 92 PRO C C 177.00 0.30 .
887 . 92 PRO CA C 63.50 0.30 .
888 . 92 PRO CB C 32.20 0.30 .
889 . 92 PRO CG C 27.60 0.30 .
890 . 92 PRO CD C 50.60 0.30 .
891 . 93 ALA H H 8.39 0.03 .
892 . 93 ALA HA H 4.30 0.03 .
893 . 93 ALA HB H 1.38 0.03 .
894 . 93 ALA C C 177.90 0.30 .
895 . 93 ALA CA C 52.80 0.30 .
896 . 93 ALA CB C 19.40 0.30 .
897 . 93 ALA N N 123.90 0.20 .
898 . 94 SER H H 8.20 0.03 .
899 . 94 SER HA H 4.37 0.03 .
900 . 94 SER HB2 H 3.84 0.03 .
901 . 94 SER C C 174.60 0.30 .
902 . 94 SER CA C 58.30 0.30 .
903 . 94 SER CB C 64.00 0.30 .
904 . 94 SER N N 114.20 0.20 .
905 . 95 HIS H H 8.43 0.03 .
906 . 95 HIS HA H 4.68 0.03 .
907 . 95 HIS HB2 H 3.16 0.03 .
908 . 95 HIS HB3 H 3.28 0.03 .
909 . 95 HIS C C 174.8 0.30 .
910 . 95 HIS CA C 55.90 0.30 .
911 . 95 HIS CB C 29.5 0.30 .
912 . 95 HIS N N 124.10 0.20 .
913 . 96 LEU H H 8.15 0.03 .
914 . 96 LEU HA H 4.32 0.03 .
915 . 96 LEU HB2 H 1.60 0.03 .
916 . 96 LEU HG H 1.50 0.03 .
917 . 96 LEU HD1 H 0.89 0.03 .
918 . 96 LEU C C 177.10 0.30 .
919 . 96 LEU CA C 56.00 0.30 .
920 . 96 LEU CB C 42.60 0.30 .
921 . 96 LEU CG C 27.20 0.30 .
922 . 96 LEU CD1 C 25.10 0.30 .
923 . 96 LEU CD2 C 23.60 0.30 .
924 . 96 LEU N N 122.3 0.20 .
925 . 97 ASN H H 8.46 0.03 .
926 . 97 ASN HA H 4.67 0.03 .
927 . 97 ASN HB2 H 2.86 0.03 .
928 . 97 ASN HB3 H 2.80 0.03 .
929 . 97 ASN HD21 H 7.60 0.03 .
930 . 97 ASN HD22 H 6.92 0.03 .
931 . 97 ASN C C 175.40 0.30 .
932 . 97 ASN CA C 53.60 0.30 .
933 . 97 ASN CB C 38.90 0.30 .
934 . 97 ASN N N 118.70 0.20 .
935 . 97 ASN ND2 N 112.60 0.03 .
936 . 98 GLU H H 8.33 0.03 .
937 . 98 GLU HA H 4.27 0.03 .
938 . 98 GLU HB2 H 1.96 0.03 .
939 . 98 GLU HB3 H 2.10 0.03 .
940 . 98 GLU HG2 H 2.28 0.03 .
941 . 98 GLU C C 176.50 0.30 .
942 . 98 GLU CA C 56.90 0.30 .
943 . 98 GLU CB C 30.50 0.30 .
944 . 98 GLU CG C 36.40 0.30 .
945 . 98 GLU N N 121.00 0.20 .
946 . 99 ALA H H 8.34 0.03 .
947 . 99 ALA HA H 4.28 0.03 .
948 . 99 ALA HB H 1.41 0.03 .
949 . 99 ALA C C 178.40 0.30 .
950 . 99 ALA CA C 53.10 0.30 .
951 . 99 ALA CB C 19.30 0.30 .
952 . 99 ALA N N 124.50 0.20 .
953 . 100 GLY H H 8.33 0.03 .
954 . 100 GLY HA2 H 3.97 0.03 .
955 . 100 GLY C C 174.20 0.30 .
956 . 100 GLY CA C 45.50 0.30 .
957 . 100 GLY N N 107.90 0.20 .
958 . 101 SER H H 8.08 0.03 .
959 . 101 SER HA H 4.48 0.03 .
960 . 101 SER HB2 H 3.85 0.03 .
961 . 101 SER C C 174.20 0.30 .
962 . 101 SER CA C 58.30 0.30 .
963 . 101 SER CB C 64.20 0.30 .
964 . 101 SER N N 115.20 0.20 .
965 . 102 LEU H H 8.28 0.03 .
966 . 102 LEU HA H 4.65 0.03 .
967 . 102 LEU HB2 H 1.60 0.03 .
968 . 102 LEU HB3 H 1.60 0.03 .
969 . 102 LEU HG H 1.68 0.03 .
970 . 102 LEU HD1 H 0.98 0.03 .
971 . 102 LEU HD2 H 0.75 0.03 .
972 . 102 LEU C C 175.30 0.30 .
973 . 102 LEU CA C 53.30 0.30 .
974 . 102 LEU CB C 42.00 0.30 .
975 . 102 LEU CG C 27.00 0.30 .
976 . 102 LEU N N 124.90 0.20 .
977 . 103 PRO HA H 4.40 0.03 .
978 . 103 PRO HB2 H 2.35 0.03 .
979 . 103 PRO HG2 H 2.05 0.03 .
980 . 103 PRO HG3 H 1.93 0.03 .
981 . 103 PRO HD2 H 3.65 0.03 .
982 . 103 PRO HD3 H 3.86 0.03 .
983 . 103 PRO C C 176.70 0.30 .
984 . 103 PRO CA C 62.40 0.30 .
985 . 103 PRO CB C 32.20 0.30 .
986 . 103 PRO CG C 27.60 0.30 .
987 . 103 PRO CD C 50.80 0.30 .
988 . 104 ALA H H 8.37 0.03 .
989 . 104 ALA HA H 4.38 0.03 .
990 . 104 ALA HB H 1.38 0.03 .
991 . 104 ALA C C 178.10 0.30 .
992 . 104 ALA CA C 52.60 0.30 .
993 . 104 ALA CB C 19.50 0.30 .
994 . 104 ALA N N 123.90 0.20 .
995 . 105 GLU H H 8.39 0.03 .
996 . 105 GLU HA H 4.28 0.03 .
997 . 105 GLU HB2 H 1.95 0.03 .
998 . 105 GLU HB3 H 2.06 0.03 .
999 . 105 GLU HG2 H 2.28 0.03 .
1000 . 105 GLU C C 176.90 0.30 .
1001 . 105 GLU CA C 56.90 0.30 .
1002 . 105 GLU CB C 30.40 0.30 .
1003 . 105 GLU CG C 36.40 0.30 .
1004 . 105 GLU N N 120.10 0.20 .
1005 . 106 LYS H H 8.29 0.03 .
1006 . 106 LYS HA H 4.25 0.03 .
1007 . 106 LYS HB2 H 1.78 0.03 .
1008 . 106 LYS HG2 H 1.42 0.03 .
1009 . 106 LYS HD2 H 1.70 0.03 .
1010 . 106 LYS HE2 H 3.03 0.03 .
1011 . 106 LYS C C 176.40 0.30 .
1012 . 106 LYS CA C 56.90 0.30 .
1013 . 106 LYS CB C 33.20 0.30 .
1014 . 106 LYS CG C 24.70 0.30 .
1015 . 106 LYS CD C 29.30 0.30 .
1016 . 106 LYS CE C 42.30 0.30 .
1017 . 106 LYS N N 121.40 0.20 .
1018 . 107 ASP H H 8.27 0.03 .
1019 . 107 ASP HA H 4.56 0.03 .
1020 . 107 ASP HB2 H 2.58 0.03 .
1021 . 107 ASP HB3 H 2.71 0.03 .
1022 . 107 ASP C C 175.70 0.30 .
1023 . 107 ASP CA C 54.60 0.30 .
1024 . 107 ASP CB C 41.20 0.30 .
1025 . 107 ASP N N 120.40 0.20 .
1026 . 108 ALA H H 8.01 0.03 .
1027 . 108 ALA HA H 4.31 0.03 .
1028 . 108 ALA HB H 1.35 0.03 .
1029 . 108 ALA C C 177.40 0.30 .
1030 . 108 ALA CA C 52.40 0.30 .
1031 . 108 ALA CB C 19.70 0.30 .
1032 . 108 ALA N N 123.80 0.20 .
1033 . 109 VAL H H 8.12 0.03 .
1034 . 109 VAL HA H 4.40 0.03 .
1035 . 109 VAL HB H 2.06 0.03 .
1036 . 109 VAL HG1 H 1.02 0.03 .
1037 . 109 VAL HG2 H 0.94 0.03 .
1038 . 109 VAL C C 174.50 0.30 .
1039 . 109 VAL CA C 60.00 0.30 .
1040 . 109 VAL CB C 32.80 0.30 .
1041 . 109 VAL CG2 C 20.3 0.30 .
1042 . 109 VAL N N 121.20 0.20 .
1043 . 110 PRO HA H 4.40 0.03 .
1044 . 110 PRO HB2 H 2.44 0.03 .
1045 . 110 PRO HB3 H 1.93 0.03 .
1046 . 110 PRO HG2 H 2.09 0.03 .
1047 . 110 PRO HG3 H 2.28 0.03 .
1048 . 110 PRO HD2 H 3.69 0.03 .
1049 . 110 PRO HD3 H 3.91 0.03 .
1050 . 110 PRO C C 176.60 0.30 .
1051 . 110 PRO CA C 63.30 0.30 .
1052 . 110 PRO CB C 32.60 0.30 .
1053 . 110 PRO CG C 27.70 0.30 .
1054 . 110 PRO CD C 51.4 0.30 .
1055 . 111 GLN H H 8.62 0.03 .
1056 . 111 GLN HA H 4.18 0.03 .
1057 . 111 GLN HB2 H 1.70 0.03 .
1058 . 111 GLN HB3 H 1.85 0.03 .
1059 . 111 GLN HG2 H 2.11 0.03 .
1060 . 111 GLN HG3 H 1.59 0.03 .
1061 . 111 GLN HE21 H 6.79 0.03 .
1062 . 111 GLN HE22 H 7.75 0.03 .
1063 . 111 GLN C C 175.50 0.30 .
1064 . 111 GLN CA C 56.30 0.30 .
1065 . 111 GLN CB C 30.50 0.30 .
1066 . 111 GLN CG C 33.60 0.30 .
1067 . 111 GLN N N 123.40 0.20 .
1068 . 111 GLN NE2 N 112.8 0.2 .
1069 . 112 THR H H 8.28 0.03 .
1070 . 112 THR HA H 4.96 0.03 .
1071 . 112 THR HB H 3.83 0.03 .
1072 . 112 THR HG2 H 1.12 0.03 .
1073 . 112 THR C C 173.70 0.30 .
1074 . 112 THR CA C 61.50 0.30 .
1075 . 112 THR CB C 70.60 0.30 .
1076 . 112 THR CG2 C 22.10 0.30 .
1077 . 112 THR N N 120.10 0.20 .
1078 . 113 PHE H H 9.71 0.03 .
1079 . 113 PHE HA H 5.22 0.03 .
1080 . 113 PHE HB2 H 2.92 0.03 .
1081 . 113 PHE HB3 H 2.66 0.03 .
1082 . 113 PHE HD1 H 7.22 0.03 .
1083 . 113 PHE C C 176.00 0.30 .
1084 . 113 PHE CA C 56.70 0.30 .
1085 . 113 PHE CB C 42.20 0.30 .
1086 . 113 PHE N N 125.80 0.20 .
1087 . 114 SER H H 9.48 0.03 .
1088 . 114 SER HA H 5.01 0.03 .
1089 . 114 SER HB2 H 3.96 0.03 .
1090 . 114 SER HB3 H 3.96 0.03 .
1091 . 114 SER C C 174.50 0.30 .
1092 . 114 SER CA C 58.40 0.30 .
1093 . 114 SER CB C 63.70 0.30 .
1094 . 114 SER N N 119.90 0.20 .
1095 . 115 VAL H H 9.22 0.03 .
1096 . 115 VAL HA H 4.94 0.03 .
1097 . 115 VAL HB H 2.12 0.03 .
1098 . 115 VAL HG1 H 0.80 0.03 .
1099 . 115 VAL HG2 H 0.83 0.03 .
1100 . 115 VAL C C 174.80 0.30 .
1101 . 115 VAL CA C 61.90 0.30 .
1102 . 115 VAL CB C 34.90 0.30 .
1103 . 115 VAL CG1 C 21.50 0.30 .
1104 . 115 VAL CG2 C 23.10 0.30 .
1105 . 115 VAL N N 127.40 0.20 .
1106 . 116 LEU H H 8.83 0.03 .
1107 . 116 LEU HA H 5.32 0.03 .
1108 . 116 LEU HB2 H 1.62 0.03 .
1109 . 116 LEU HD1 H 0.70 0.03 .
1110 . 116 LEU HD2 H 0.98 0.03 .
1111 . 116 LEU C C 175.90 0.30 .
1112 . 116 LEU CA C 54.10 0.30 .
1113 . 116 LEU CB C 46.80 0.30 .
1114 . 116 LEU CG C 25.20 0.30 .
1115 . 116 LEU CD1 C 23.10 0.30 .
1116 . 116 LEU CD2 C 18.80 0.30 .
1117 . 116 LEU N N 127.30 0.20 .
1118 . 117 ILE H H 8.40 0.03 .
1119 . 117 ILE HA H 5.62 0.03 .
1120 . 117 ILE HB H 1.59 0.03 .
1121 . 117 ILE HG2 H 0.96 0.03 .
1122 . 117 ILE HD1 H 1.04 0.03 .
1123 . 117 ILE C C 175.60 0.30 .
1124 . 117 ILE CA C 59.60 0.30 .
1125 . 117 ILE CB C 41.80 0.30 .
1126 . 117 ILE CG2 C 18.80 0.30 .
1127 . 117 ILE N N 118.90 0.20 .
1128 . 118 GLY H H 9.01 0.03 .
1129 . 118 GLY HA2 H 4.56 0.03 .
1130 . 118 GLY HA3 H 4.88 0.03 .
1131 . 118 GLY C C 171.30 0.30 .
1132 . 118 GLY CA C 47.10 0.30 .
1133 . 118 GLY N N 112.80 0.20 .
1134 . 119 ASN H H 8.07 0.03 .
1135 . 119 ASN HA H 4.90 0.03 .
1136 . 119 ASN HB2 H 3.43 0.03 .
1137 . 119 ASN HB3 H 3.73 0.03 .
1138 . 119 ASN HD21 H 7.20 0.03 .
1139 . 119 ASN HD22 H 7.37 0.03 .
1140 . 119 ASN C C 175.10 0.30 .
1141 . 119 ASN CA C 51.70 0.30 .
1142 . 119 ASN CB C 39.20 0.30 .
1143 . 119 ASN N N 119.60 0.20 .
1144 . 119 ASN ND2 N 109.7 0.03 .
1145 . 120 ARG H H 8.49 0.03 .
1146 . 120 ARG HA H 3.81 0.03 .
1147 . 120 ARG HB2 H 1.81 0.03 .
1148 . 120 ARG HG2 H 1.92 0.03 .
1149 . 120 ARG HD3 H 3.26 0.03 .
1150 . 120 ARG C C 178.40 0.30 .
1151 . 120 ARG CA C 60.60 0.30 .
1152 . 120 ARG CB C 31.20 0.30 .
1153 . 120 ARG CG C 28.60 0.30 .
1154 . 120 ARG CD C 44.30 0.30 .
1155 . 120 ARG N N 114.90 0.20 .
1156 . 121 GLU H H 8.18 0.03 .
1157 . 121 GLU HA H 4.16 0.03 .
1158 . 121 GLU HB2 H 2.02 0.03 .
1159 . 121 GLU HB3 H 2.21 0.03 .
1160 . 121 GLU HG2 H 2.52 0.03 .
1161 . 121 GLU HG3 H 2.28 0.03 .
1162 . 121 GLU C C 178.30 0.30 .
1163 . 121 GLU CA C 58.90 0.30 .
1164 . 121 GLU CB C 28.50 0.30 .
1165 . 121 GLU CG C 35.80 0.30 .
1166 . 121 GLU N N 119.00 0.20 .
1167 . 122 TRP H H 8.73 0.03 .
1168 . 122 TRP HA H 4.86 0.03 .
1169 . 122 TRP HB2 H 3.45 0.03 .
1170 . 122 TRP HB3 H 3.14 0.03 .
1171 . 122 TRP HD1 H 6.42 0.03 .
1172 . 122 TRP HE1 H 9.31 0.03 .
1173 . 122 TRP HH2 H 6.86 0.03 .
1174 . 122 TRP C C 178.70 0.30 .
1175 . 122 TRP CA C 57.60 0.30 .
1176 . 122 TRP CB C 32.30 0.30 .
1177 . 122 TRP N N 121.00 0.20 .
1178 . 122 TRP NE1 N 128.5 0.2 .
1179 . 123 LEU H H 7.79 0.03 .
1180 . 123 LEU HA H 3.53 0.03 .
1181 . 123 LEU HB2 H 1.65 0.03 .
1182 . 123 LEU HB3 H 1.50 0.03 .
1183 . 123 LEU HG H 1.64 0.03 .
1184 . 123 LEU HD1 H 0.70 0.03 .
1185 . 123 LEU HD2 H 0.68 0.03 .
1186 . 123 LEU C C 179.30 0.30 .
1187 . 123 LEU CA C 58.60 0.30 .
1188 . 123 LEU CB C 38.90 0.30 .
1189 . 123 LEU CG C 29.9 0.30 .
1190 . 123 LEU CD1 C 25.00 0.30 .
1191 . 123 LEU CD2 C 23.40 0.30 .
1192 . 123 LEU N N 120.80 0.20 .
1193 . 124 ARG H H 8.40 0.03 .
1194 . 124 ARG HA H 4.20 0.03 .
1195 . 124 ARG HB2 H 1.93 0.03 .
1196 . 124 ARG HG2 H 1.60 0.03 .
1197 . 124 ARG HG3 H 1.80 0.03 .
1198 . 124 ARG HD2 H 3.27 0.03 .
1199 . 124 ARG HD3 H 3.18 0.03 .
1200 . 124 ARG C C 181.70 0.30 .
1201 . 124 ARG CA C 59.90 0.30 .
1202 . 124 ARG CB C 30.00 0.30 .
1203 . 124 ARG CG C 27.30 0.30 .
1204 . 124 ARG CD C 43.40 0.30 .
1205 . 124 ARG N N 121.20 0.20 .
1206 . 125 ARG H H 8.75 0.03 .
1207 . 125 ARG HA H 4.03 0.03 .
1208 . 125 ARG HB2 H 2.07 0.03 .
1209 . 125 ARG HB3 H 1.93 0.03 .
1210 . 125 ARG HG2 H 1.88 0.03 .
1211 . 125 ARG HD2 H 2.82 0.03 .
1212 . 125 ARG HD3 H 3.37 0.03 .
1213 . 125 ARG C C 177.20 0.30 .
1214 . 125 ARG CA C 59.20 0.30 .
1215 . 125 ARG CB C 30.40 0.30 .
1216 . 125 ARG CG C 27.30 0.30 .
1217 . 125 ARG CD C 44.50 0.30 .
1218 . 125 ARG N N 120.90 0.20 .
1219 . 126 ASN H H 6.96 0.03 .
1220 . 126 ASN HA H 4.40 0.03 .
1221 . 126 ASN HB2 H 2.51 0.03 .
1222 . 126 ASN HB3 H 1.92 0.03 .
1223 . 126 ASN HD21 H 6.37 0.03 .
1224 . 126 ASN C C 173.70 0.30 .
1225 . 126 ASN CA C 53.90 0.30 .
1226 . 126 ASN CB C 41.40 0.30 .
1227 . 126 ASN N N 114.90 0.20 .
1228 . 126 ASN ND2 N 111.8 0.3 .
1229 . 127 GLY H H 7.79 0.03 .
1230 . 127 GLY HA2 H 3.69 0.03 .
1231 . 127 GLY HA3 H 4.09 0.03 .
1232 . 127 GLY C C 174.20 0.30 .
1233 . 127 GLY CA C 46.10 0.30 .
1234 . 127 GLY N N 106.20 0.20 .
1235 . 128 LEU H H 7.72 0.03 .
1236 . 128 LEU HA H 4.54 0.03 .
1237 . 128 LEU HB2 H 1.30 0.03 .
1238 . 128 LEU HG H 1.45 0.03 .
1239 . 128 LEU HD1 H 0.60 0.03 .
1240 . 128 LEU HD2 H 0.68 0.03 .
1241 . 128 LEU C C 176.00 0.30 .
1242 . 128 LEU CA C 55.00 0.30 .
1243 . 128 LEU CB C 42.20 0.30 .
1244 . 128 LEU CG C 28.90 0.30 .
1245 . 128 LEU CD1 C 25.20 0.30 .
1246 . 128 LEU CD2 C 23.70 0.30 .
1247 . 128 LEU N N 122.20 0.20 .
1248 . 129 THR H H 8.20 0.03 .
1249 . 129 THR HA H 4.22 0.03 .
1250 . 129 THR HB H 4.02 0.03 .
1251 . 129 THR HG2 H 1.11 0.03 .
1252 . 129 THR C C 173.70 0.30 .
1253 . 129 THR CA C 61.90 0.30 .
1254 . 129 THR CB C 70.00 0.30 .
1255 . 129 THR CG2 C 21.60 0.30 .
1256 . 129 THR N N 116.00 0.20 .
1257 . 130 ILE H H 8.44 0.03 .
1258 . 130 ILE HA H 4.21 0.03 .
1259 . 130 ILE HB H 1.84 0.03 .
1260 . 130 ILE HG12 H 1.34 0.03 .
1261 . 130 ILE HG13 H 1.11 0.03 .
1262 . 130 ILE HG2 H 0.86 0.03 .
1263 . 130 ILE HD1 H 0.79 0.03 .
1264 . 130 ILE C C 175.80 0.30 .
1265 . 130 ILE CA C 60.00 0.30 .
1266 . 130 ILE CB C 38.30 0.30 .
1267 . 130 ILE CG1 C 27.10 0.30 .
1268 . 130 ILE CG2 C 17.80 0.30 .
1269 . 130 ILE CD1 C 13.60 0.30 .
1270 . 130 ILE N N 124.60 0.20 .
1271 . 131 SER H H 8.54 0.03 .
1272 . 131 SER HA H 4.45 0.03 .
1273 . 131 SER HB2 H 4.06 0.03 .
1274 . 131 SER HB3 H 4.35 0.03 .
1275 . 131 SER C C 175.50 0.30 .
1276 . 131 SER CA C 58.10 0.30 .
1277 . 131 SER CB C 64.60 0.30 .
1278 . 131 SER N N 123.50 0.20 .
1279 . 132 SER H H 9.08 0.03 .
1280 . 132 SER HA H 4.18 0.03 .
1281 . 132 SER HB2 H 3.99 0.03 .
1282 . 132 SER HB3 H 4.34 0.03 .
1283 . 132 SER C C 175.80 0.30 .
1284 . 132 SER CA C 62.10 0.30 .
1285 . 132 SER CB C 62.60 0.30 .
1286 . 132 SER N N 118.10 0.20 .
1287 . 133 ASP H H 8.43 0.03 .
1288 . 133 ASP HA H 4.37 0.03 .
1289 . 133 ASP HB2 H 2.70 0.03 .
1290 . 133 ASP HB3 H 2.45 0.03 .
1291 . 133 ASP C C 179.30 0.30 .
1292 . 133 ASP CA C 57.10 0.30 .
1293 . 133 ASP CB C 39.90 0.30 .
1294 . 133 ASP N N 119.30 0.20 .
1295 . 134 VAL H H 7.48 0.03 .
1296 . 134 VAL HA H 3.62 0.03 .
1297 . 134 VAL HB H 2.14 0.03 .
1298 . 134 VAL HG1 H 1.00 0.03 .
1299 . 134 VAL HG2 H 0.86 0.03 .
1300 . 134 VAL C C 177.70 0.30 .
1301 . 134 VAL CA C 66.40 0.30 .
1302 . 134 VAL CB C 31.60 0.30 .
1303 . 134 VAL CG1 C 23.60 0.30 .
1304 . 134 VAL CG2 C 22.50 0.30 .
1305 . 134 VAL N N 122.30 0.20 .
1306 . 135 SER H H 8.26 0.03 .
1307 . 135 SER HA H 4.12 0.03 .
1308 . 135 SER HB2 H 3.90 0.03 .
1309 . 135 SER HB3 H 4.04 0.03 .
1310 . 135 SER C C 177.80 0.30 .
1311 . 135 SER CA C 62.20 0.30 .
1312 . 135 SER CB C 62.80 0.30 .
1313 . 135 SER N N 114.80 0.20 .
1314 . 136 ASP H H 8.81 0.03 .
1315 . 136 ASP HA H 4.38 0.03 .
1316 . 136 ASP HB2 H 2.69 0.03 .
1317 . 136 ASP HB3 H 2.80 0.03 .
1318 . 136 ASP C C 178.40 0.30 .
1319 . 136 ASP CA C 57.60 0.30 .
1320 . 136 ASP CB C 40.00 0.30 .
1321 . 136 ASP N N 120.90 0.20 .
1322 . 137 ALA H H 7.51 0.03 .
1323 . 137 ALA HA H 4.29 0.03 .
1324 . 137 ALA HB H 1.50 0.03 .
1325 . 137 ALA C C 180.60 0.30 .
1326 . 137 ALA CA C 55.10 0.30 .
1327 . 137 ALA CB C 17.90 0.30 .
1328 . 137 ALA N N 123.20 0.20 .
1329 . 138 MET H H 8.26 0.03 .
1330 . 138 MET HA H 3.99 0.03 .
1331 . 138 MET HB2 H 2.24 0.03 .
1332 . 138 MET HB3 H 2.40 0.03 .
1333 . 138 MET HG2 H 2.95 0.03 .
1334 . 138 MET C C 178.60 0.30 .
1335 . 138 MET CA C 60.30 0.30 .
1336 . 138 MET CB C 34.10 0.30 .
1337 . 138 MET CG C 32.60 0.30 .
1338 . 138 MET N N 117.70 0.20 .
1339 . 139 THR H H 8.52 0.03 .
1340 . 139 THR HA H 4.14 0.03 .
1341 . 139 THR HB H 4.38 0.03 .
1342 . 139 THR HG2 H 1.32 0.03 .
1343 . 139 THR C C 175.70 0.30 .
1344 . 139 THR CA C 66.60 0.30 .
1345 . 139 THR CB C 69.00 0.30 .
1346 . 139 THR CG2 C 22.50 0.30 .
1347 . 139 THR N N 117.30 0.20 .
1348 . 140 ASP H H 7.89 0.03 .
1349 . 140 ASP HA H 4.33 0.03 .
1350 . 140 ASP HB2 H 2.53 0.03 .
1351 . 140 ASP HB3 H 2.70 0.03 .
1352 . 140 ASP C C 178.30 0.30 .
1353 . 140 ASP CA C 57.80 0.30 .
1354 . 140 ASP CB C 41.30 0.30 .
1355 . 140 ASP N N 120.90 0.20 .
1356 . 141 HIS H H 7.41 0.03 .
1357 . 141 HIS HA H 4.05 0.03 .
1358 . 141 HIS HB2 H 3.14 0.03 .
1359 . 141 HIS HB3 H 3.03 0.03 .
1360 . 141 HIS C C 177.80 0.30 .
1361 . 141 HIS CA C 60.70 0.30 .
1362 . 141 HIS CB C 28.40 0.30 .
1363 . 141 HIS N N 115.30 0.20 .
1364 . 142 GLU H H 8.69 0.03 .
1365 . 142 GLU HA H 4.54 0.03 .
1366 . 142 GLU HB2 H 2.13 0.03 .
1367 . 142 GLU HB3 H 2.31 0.03 .
1368 . 142 GLU HG2 H 2.51 0.03 .
1369 . 142 GLU HG3 H 2.46 0.03 .
1370 . 142 GLU C C 181.40 0.30 .
1371 . 142 GLU CA C 59.30 0.30 .
1372 . 142 GLU CB C 29.50 0.30 .
1373 . 142 GLU CG C 36.70 0.30 .
1374 . 142 GLU N N 122.30 0.20 .
1375 . 143 MET H H 8.75 0.03 .
1376 . 143 MET HA H 4.38 0.03 .
1377 . 143 MET HB2 H 2.73 0.03 .
1378 . 143 MET HB3 H 2.25 0.03 .
1379 . 143 MET HG2 H 2.80 0.03 .
1380 . 143 MET HG3 H 2.97 0.03 .
1381 . 143 MET C C 177.60 0.30 .
1382 . 143 MET CA C 57.70 0.30 .
1383 . 143 MET CB C 32.60 0.30 .
1384 . 143 MET CG C 32.4 0.30 .
1385 . 143 MET N N 119.20 0.20 .
1386 . 144 LYS H H 7.43 0.03 .
1387 . 144 LYS HA H 4.42 0.03 .
1388 . 144 LYS HB2 H 1.81 0.03 .
1389 . 144 LYS HB3 H 2.09 0.03 .
1390 . 144 LYS HG2 H 1.52 0.03 .
1391 . 144 LYS HD2 H 1.53 0.03 .
1392 . 144 LYS HE2 H 2.87 0.03 .
1393 . 144 LYS HE3 H 2.75 0.03 .
1394 . 144 LYS C C 176.70 0.30 .
1395 . 144 LYS CA C 56.20 0.30 .
1396 . 144 LYS CB C 32.80 0.30 .
1397 . 144 LYS CG C 25.30 0.30 .
1398 . 144 LYS CD C 29.60 0.30 .
1399 . 144 LYS CE C 42.30 0.30 .
1400 . 144 LYS N N 118.00 0.20 .
1401 . 145 GLY H H 8.12 0.03 .
1402 . 145 GLY HA2 H 4.24 0.03 .
1403 . 145 GLY HA3 H 3.88 0.03 .
1404 . 145 GLY C C 174.80 0.30 .
1405 . 145 GLY CA C 46.00 0.30 .
1406 . 145 GLY N N 108.10 0.20 .
1407 . 146 GLN H H 7.77 0.03 .
1408 . 146 GLN HA H 4.75 0.03 .
1409 . 146 GLN HB2 H 1.91 0.03 .
1410 . 146 GLN HG2 H 2.27 0.03 .
1411 . 146 GLN HG3 H 2.03 0.03 .
1412 . 146 GLN HE21 H 7.57 0.03 .
1413 . 146 GLN HE22 H 6.81 0.03 .
1414 . 146 GLN C C 175.10 0.30 .
1415 . 146 GLN CA C 54.70 0.30 .
1416 . 146 GLN CB C 29.90 0.30 .
1417 . 146 GLN CG C 33.90 0.30 .
1418 . 146 GLN N N 119.00 0.20 .
1419 . 146 GLN NE2 N 108.5 0.3 .
1420 . 147 THR H H 8.89 0.03 .
1421 . 147 THR HA H 4.45 0.03 .
1422 . 147 THR HB H 3.82 0.03 .
1423 . 147 THR HG2 H 1.08 0.03 .
1424 . 147 THR C C 172.70 0.30 .
1425 . 147 THR CA C 62.70 0.30 .
1426 . 147 THR CB C 70.60 0.30 .
1427 . 147 THR CG2 C 21.30 0.30 .
1428 . 147 THR N N 117.70 0.20 .
1429 . 148 ALA H H 8.88 0.03 .
1430 . 148 ALA HA H 5.29 0.03 .
1431 . 148 ALA HB H 1.29 0.03 .
1432 . 148 ALA C C 175.40 0.30 .
1433 . 148 ALA CA C 50.40 0.30 .
1434 . 148 ALA CB C 21.50 0.30 .
1435 . 148 ALA N N 129.40 0.20 .
1436 . 149 ILE H H 8.89 0.03 .
1437 . 149 ILE HA H 4.57 0.03 .
1438 . 149 ILE HB H 1.89 0.03 .
1439 . 149 ILE HG12 H 1.30 0.03 .
1440 . 149 ILE HG13 H 1.15 0.03 .
1441 . 149 ILE HG2 H 0.95 0.03 .
1442 . 149 ILE HD1 H 0.63 0.03 .
1443 . 149 ILE C C 174.50 0.30 .
1444 . 149 ILE CA C 59.30 0.30 .
1445 . 149 ILE CB C 41.10 0.30 .
1446 . 149 ILE CG1 C 26.40 0.30 .
1447 . 149 ILE CG2 C 18.60 0.30 .
1448 . 149 ILE CD1 C 13.10 0.30 .
1449 . 149 ILE N N 118.20 0.20 .
1450 . 150 LEU H H 9.37 0.03 .
1451 . 150 LEU HA H 5.08 0.03 .
1452 . 150 LEU HB2 H 1.32 0.03 .
1453 . 150 LEU HB3 H 1.87 0.03 .
1454 . 150 LEU HG H 1.71 0.03 .
1455 . 150 LEU HD1 H 0.93 0.03 .
1456 . 150 LEU HD2 H 0.93 0.03 .
1457 . 150 LEU C C 175.40 0.30 .
1458 . 150 LEU CA C 53.60 0.30 .
1459 . 150 LEU CB C 45.50 0.30 .
1460 . 150 LEU CG C 27.50 0.30 .
1461 . 150 LEU CD1 C 23.00 0.30 .
1462 . 150 LEU CD2 C 26.00 0.30 .
1463 . 150 LEU N N 123.60 0.20 .
1464 . 151 VAL H H 8.28 0.03 .
1465 . 151 VAL HA H 4.78 0.03 .
1466 . 151 VAL HB H 1.76 0.03 .
1467 . 151 VAL HG1 H 0.69 0.03 .
1468 . 151 VAL HG2 H 0.76 0.03 .
1469 . 151 VAL C C 174.30 0.30 .
1470 . 151 VAL CA C 60.70 0.30 .
1471 . 151 VAL CB C 35.20 0.30 .
1472 . 151 VAL CG1 C 21.00 0.30 .
1473 . 151 VAL CG2 C 21.00 0.30 .
1474 . 151 VAL N N 116.60 0.20 .
1475 . 152 ALA H H 9.49 0.03 .
1476 . 152 ALA HA H 5.57 0.03 .
1477 . 152 ALA HB H 1.03 0.03 .
1478 . 152 ALA C C 175.90 0.30 .
1479 . 152 ALA CA C 50.50 0.30 .
1480 . 152 ALA CB C 22.70 0.30 .
1481 . 152 ALA N N 129.70 0.20 .
1482 . 153 ILE H H 8.33 0.03 .
1483 . 153 ILE HA H 4.84 0.03 .
1484 . 153 ILE HB H 1.73 0.03 .
1485 . 153 ILE HG12 H 1.50 0.03 .
1486 . 153 ILE HG2 H 0.97 0.03 .
1487 . 153 ILE HD1 H 0.69 0.03 .
1488 . 153 ILE C C 175.90 0.30 .
1489 . 153 ILE CA C 60.40 0.30 .
1490 . 153 ILE CB C 40.50 0.30 .
1491 . 153 ILE CG2 C 18.20 0.30 .
1492 . 153 ILE CD1 C 14.10 0.30 .
1493 . 153 ILE N N 121.10 0.20 .
1494 . 154 ASP H H 10.24 0.03 .
1495 . 154 ASP HA H 4.47 0.03 .
1496 . 154 ASP HB2 H 2.88 0.03 .
1497 . 154 ASP HB3 H 3.04 0.03 .
1498 . 154 ASP C C 176.30 0.30 .
1499 . 154 ASP CA C 55.90 0.30 .
1500 . 154 ASP CB C 39.50 0.30 .
1501 . 154 ASP N N 129.20 0.20 .
1502 . 155 GLY H H 9.19 0.03 .
1503 . 155 GLY HA2 H 4.08 0.03 .
1504 . 155 GLY HA3 H 3.32 0.03 .
1505 . 155 GLY C C 173.40 0.30 .
1506 . 155 GLY CA C 45.50 0.30 .
1507 . 155 GLY N N 102.80 0.20 .
1508 . 156 VAL H H 7.67 0.03 .
1509 . 156 VAL HA H 4.15 0.03 .
1510 . 156 VAL HB H 2.12 0.03 .
1511 . 156 VAL HG1 H 0.92 0.03 .
1512 . 156 VAL HG2 H 0.92 0.03 .
1513 . 156 VAL C C 175.90 0.30 .
1514 . 156 VAL CA C 61.20 0.30 .
1515 . 156 VAL CB C 34.30 0.30 .
1516 . 156 VAL CG1 C 21.30 0.30 .
1517 . 156 VAL CG2 C 21.30 0.30 .
1518 . 156 VAL N N 119.90 0.20 .
1519 . 157 LEU H H 8.88 0.03 .
1520 . 157 LEU HA H 4.38 0.03 .
1521 . 157 LEU HB2 H 1.89 0.03 .
1522 . 157 LEU HB3 H 1.45 0.03 .
1523 . 157 LEU HG H 1.58 0.03 .
1524 . 157 LEU HD1 H 1.02 0.03 .
1525 . 157 LEU HD2 H 0.92 0.03 .
1526 . 157 LEU C C 176.10 0.30 .
1527 . 157 LEU CA C 56.50 0.30 .
1528 . 157 LEU CB C 41.60 0.30 .
1529 . 157 LEU CG C 26.70 0.30 .
1530 . 157 LEU CD1 C 25.70 0.30 .
1531 . 157 LEU N N 129.70 0.20 .
1532 . 158 CYS H H 9.09 0.03 .
1533 . 158 CYS HA H 5.23 0.03 .
1534 . 158 CYS HB2 H 3.16 0.03 .
1535 . 158 CYS HB3 H 2.71 0.03 .
1536 . 158 CYS C C 175.00 0.30 .
1537 . 158 CYS CA C 57.80 0.30 .
1538 . 158 CYS CB C 31.40 0.30 .
1539 . 158 CYS N N 120.80 0.20 .
1540 . 159 GLY H H 7.91 0.03 .
1541 . 159 GLY HA2 H 5.16 0.03 .
1542 . 159 GLY HA3 H 3.49 0.03 .
1543 . 159 GLY C C 169.60 0.30 .
1544 . 159 GLY CA C 45.60 0.30 .
1545 . 159 GLY N N 109.20 0.20 .
1546 . 160 MET H H 9.11 0.03 .
1547 . 160 MET HA H 5.36 0.03 .
1548 . 160 MET HB2 H 1.87 0.03 .
1549 . 160 MET HB3 H 1.99 0.03 .
1550 . 160 MET HG2 H 2.19 0.03 .
1551 . 160 MET HG3 H 2.37 0.03 .
1552 . 160 MET C C 173.60 0.30 .
1553 . 160 MET CA C 54.40 0.30 .
1554 . 160 MET CB C 37.50 0.30 .
1555 . 160 MET CG C 31.70 0.30 .
1556 . 160 MET N N 120.60 0.20 .
1557 . 161 ILE H H 9.35 0.03 .
1558 . 161 ILE HA H 4.64 0.03 .
1559 . 161 ILE HB H 1.54 0.03 .
1560 . 161 ILE HG2 H 0.65 0.03 .
1561 . 161 ILE HD1 H 0.56 0.03 .
1562 . 161 ILE C C 173.90 0.30 .
1563 . 161 ILE CA C 60.20 0.30 .
1564 . 161 ILE CB C 40.40 0.30 .
1565 . 161 ILE CG2 C 18.10 0.30 .
1566 . 161 ILE CD1 C 14.40 0.30 .
1567 . 161 ILE N N 126.00 0.20 .
1568 . 162 ALA H H 8.60 0.03 .
1569 . 162 ALA HA H 5.14 0.03 .
1570 . 162 ALA HB H 0.85 0.03 .
1571 . 162 ALA C C 176.40 0.30 .
1572 . 162 ALA CA C 50.30 0.30 .
1573 . 162 ALA CB C 20.50 0.30 .
1574 . 162 ALA N N 129.30 0.20 .
1575 . 163 ILE H H 9.25 0.03 .
1576 . 163 ILE HA H 4.59 0.03 .
1577 . 163 ILE HB H 1.51 0.03 .
1578 . 163 ILE HG12 H 1.25 0.03 .
1579 . 163 ILE HG2 H 0.62 0.03 .
1580 . 163 ILE HD1 H 0.52 0.03 .
1581 . 163 ILE C C 174.10 0.30 .
1582 . 163 ILE CA C 59.70 0.30 .
1583 . 163 ILE CB C 41.60 0.30 .
1584 . 163 ILE CG1 C 28.50 0.30 .
1585 . 163 ILE CG2 C 18.2 0.30 .
1586 . 163 ILE CD1 C 14.30 0.30 .
1587 . 163 ILE N N 124.80 0.20 .
1588 . 164 ALA H H 8.95 0.03 .
1589 . 164 ALA HA H 4.81 0.03 .
1590 . 164 ALA HB H 1.48 0.03 .
1591 . 164 ALA C C 175.20 0.30 .
1592 . 164 ALA CA C 51.20 0.30 .
1593 . 164 ALA CB C 21.80 0.30 .
1594 . 164 ALA N N 129.20 0.20 .
1595 . 165 ASP H H 8.21 0.03 .
1596 . 165 ASP HA H 4.32 0.03 .
1597 . 165 ASP HB2 H 2.62 0.03 .
1598 . 165 ASP HB3 H 2.54 0.03 .
1599 . 165 ASP C C 180.40 0.30 .
1600 . 165 ASP CA C 55.60 0.30 .
1601 . 165 ASP CB C 41.90 0.30 .
1602 . 165 ASP N N 125.70 0.20 .
stop_
save_