data_5598
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N backbone resonance assignments of domain 1 of receptor
associated protein
;
_BMRB_accession_number 5598
_BMRB_flat_file_name bmr5598.str
_Entry_type original
_Submission_date 2002-11-25
_Accession_date 2002-11-26
_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 Wang Yun-Xing . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 627
"13C chemical shifts" 460
"15N chemical shifts" 102
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-04-30 original author .
stop_
_Original_release_date 2003-04-30
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: 1H, 13C and 15N resonance assignments of domain 1
of receptor associated protein
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wu YiBing . .
2 Migliorini Molly . .
3 Yu Ping . .
4 Strickland Dudely K. .
5 Wang Yun-Xing . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 26
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 187
_Page_last 188
_Year 2003
_Details .
loop_
_Keyword
'domain 1'
'receptor associated protein'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_D1_or_1D_of_RAP_or_RAP39
_Saveframe_category molecular_system
_Mol_system_name 'receptor associated protein-domain 1'
_Abbreviation_common 'D1 or 1D of RAP or RAP39'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'RAP domain 1' $Domain_1_of_RAP
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_Domain_1_of_RAP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'receptor associated protein, domain 1'
_Abbreviation_common 'RAP39, RAP'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details 'The first two residues are cloning artifact.'
##############################
# Polymer residue sequence #
##############################
_Residue_count 102
_Mol_residue_sequence
;
GSYSREKNQPKPSPKRESGE
EFRMEKLNQLWEKAQRLHLP
PVRLAELHADLKIQERDELA
WKKLKLDGLDEDGEKEARLI
RNLNVILAKYGLDGKKDART
QV
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 TYR 4 SER 5 ARG
6 GLU 7 LYS 8 ASN 9 GLN 10 PRO
11 LYS 12 PRO 13 SER 14 PRO 15 LYS
16 ARG 17 GLU 18 SER 19 GLY 20 GLU
21 GLU 22 PHE 23 ARG 24 MET 25 GLU
26 LYS 27 LEU 28 ASN 29 GLN 30 LEU
31 TRP 32 GLU 33 LYS 34 ALA 35 GLN
36 ARG 37 LEU 38 HIS 39 LEU 40 PRO
41 PRO 42 VAL 43 ARG 44 LEU 45 ALA
46 GLU 47 LEU 48 HIS 49 ALA 50 ASP
51 LEU 52 LYS 53 ILE 54 GLN 55 GLU
56 ARG 57 ASP 58 GLU 59 LEU 60 ALA
61 TRP 62 LYS 63 LYS 64 LEU 65 LYS
66 LEU 67 ASP 68 GLY 69 LEU 70 ASP
71 GLU 72 ASP 73 GLY 74 GLU 75 LYS
76 GLU 77 ALA 78 ARG 79 LEU 80 ILE
81 ARG 82 ASN 83 LEU 84 ASN 85 VAL
86 ILE 87 LEU 88 ALA 89 LYS 90 TYR
91 GLY 92 LEU 93 ASP 94 GLY 95 LYS
96 LYS 97 ASP 98 ALA 99 ARG 100 THR
101 GLN 102 VAL
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 16454 RBD 97.06 357 97.98 97.98 4.71e-58
BMRB 17055 RAPd1 79.41 81 100.00 100.00 5.26e-48
PDB 1LRE "Receptor Associated Protein (Rap) Domain 1, Nmr, 20 Structures" 79.41 81 100.00 100.00 5.26e-48
PDB 1NRE "Receptor Associated Protein (Rap) Domain 1, Nmr, Minimized Average Structure" 79.41 81 100.00 100.00 5.26e-48
PDB 1OP1 "Solution Nmr Structure Of Domain 1 Of Receptor Associated Protein" 79.41 82 100.00 100.00 4.90e-48
PDB 1OV2 "Ensemble Of The Solution Structures Of Domain One Of Receptor Associated Protein" 95.10 99 100.00 100.00 8.67e-61
PDB 2FYL "Haddock Model Of The Complex Between Double Module Of Lrp, Cr56, And First Domain Of Receptor Associated Protein, Rap- D1" 79.41 81 100.00 100.00 5.26e-48
PDB 2P01 "The Structure Of Receptor-Associated Protein(Rap)" 95.10 323 100.00 100.00 2.14e-59
PDB 2P03 "The Structure Of Receptor-Associated Protein(Rap)" 95.10 323 100.00 100.00 2.14e-59
DBJ BAD96224 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 97.06 357 98.99 98.99 2.58e-59
DBJ BAD96247 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 97.06 357 97.98 97.98 3.53e-58
DBJ BAF85010 "unnamed protein product [Homo sapiens]" 97.06 357 98.99 98.99 2.90e-59
DBJ BAG35576 "unnamed protein product [Homo sapiens]" 97.06 357 98.99 98.99 2.52e-59
DBJ BAG73353 "low density lipoprotein receptor-related protein associated protein 1 [synthetic construct]" 97.06 357 98.99 98.99 2.29e-59
GB AAA51553 "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" 97.06 357 98.99 98.99 2.29e-59
GB AAC67373 "lipoprotein receptor associated protein [Homo sapiens]" 97.06 357 98.99 98.99 2.29e-59
GB AAI05075 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 97.06 357 98.99 98.99 2.29e-59
GB AAI12068 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 97.06 357 98.99 98.99 2.29e-59
GB AAY18903 "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" 97.06 381 98.99 98.99 2.61e-59
REF NP_001233320 "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" 97.06 357 98.99 98.99 1.81e-59
REF NP_002328 "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" 97.06 357 98.99 98.99 2.29e-59
REF XP_003804417 "PREDICTED: alpha-2-macroglobulin receptor-associated protein isoform X1 [Pan paniscus]" 97.06 357 98.99 98.99 1.81e-59
REF XP_004038406 "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" 97.06 406 98.99 98.99 2.25e-58
REF XP_004038407 "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" 97.06 259 97.98 97.98 1.94e-59
SP P30533 "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" 97.06 357 98.99 98.99 2.29e-59
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Domain_1_of_RAP 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
$Domain_1_of_RAP '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
$Domain_1_of_RAP 1.2 mM .
'sodium chloride' 50 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_list
_Saveframe_category NMR_spectrometer
_Manufacturer unknown
_Model unknown
_Field_strength 0
_Details 'spectrometer information not available'
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0 n/a
temperature 303 0 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_Shifts_of_D1_of_the_RAP
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'RAP domain 1'
_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 CA C 58.37 . .
2 . 2 SER HA H 4.48 . .
3 . 2 SER C C 174.11 . .
4 . 2 SER CB C 63.95 . .
5 . 2 SER HB2 H 3.82 . .
6 . 2 SER HB3 H 3.82 . .
7 . 3 TYR H H 8.35 . .
8 . 3 TYR N N 122.36 . .
9 . 3 TYR CA C 57.95 . .
10 . 3 TYR C C 175.76 . .
11 . 3 TYR CB C 38.89 . .
12 . 3 TYR CD1 C 133 . .
13 . 3 TYR HD1 H 7.11 . .
14 . 3 TYR CD2 C 133 . .
15 . 3 TYR HD2 H 7.11 . .
16 . 3 TYR CE1 C 118.23 . .
17 . 3 TYR HE1 H 6.81 . .
18 . 3 TYR CE2 C 118.23 . .
19 . 3 TYR HE2 H 6.81 . .
20 . 4 SER H H 8.15 . .
21 . 4 SER N N 117.92 . .
22 . 4 SER CA C 58.13 . .
23 . 4 SER C C 174.38 . .
24 . 4 SER CB C 63.95 . .
25 . 5 ARG H H 8.34 . .
26 . 5 ARG N N 123.39 . .
27 . 5 ARG CA C 56.7 . .
28 . 5 ARG HA H 4.34 . .
29 . 5 ARG C C 176.46 . .
30 . 5 ARG CB C 30.69 . .
31 . 5 ARG HB2 H 1.79 . .
32 . 5 ARG HB3 H 1.83 . .
33 . 5 ARG CG C 27.14 . .
34 . 5 ARG HG2 H 1.63 . .
35 . 5 ARG HG3 H 1.63 . .
36 . 5 ARG CD C 43.34 . .
37 . 5 ARG HD2 H 3.20 . .
38 . 5 ARG HD3 H 3.20 . .
39 . 6 GLU H H 8.58 . .
40 . 6 GLU N N 122.81 . .
41 . 6 GLU CA C 56.7 . .
42 . 6 GLU HA H 4.34 . .
43 . 6 GLU C C 176.54 . .
44 . 6 GLU CB C 30.44 . .
45 . 6 GLU HB2 H 1.91 . .
46 . 6 GLU HB3 H 2.08 . .
47 . 7 LYS H H 8.24 . .
48 . 7 LYS N N 121.61 . .
49 . 7 LYS CA C 56.64 . .
50 . 7 LYS HA H 4.27 . .
51 . 7 LYS C C 176.33 . .
52 . 7 LYS CB C 33.02 . .
53 . 7 LYS HB2 H 1.42 . .
54 . 7 LYS HB3 H 1.42 . .
55 . 7 LYS CG C 29.05 . .
56 . 7 LYS HG2 H 1.68 . .
57 . 7 LYS HG3 H 1.68 . .
58 . 7 LYS CD C 24.80 . .
59 . 7 LYS HD2 H 1.81 . .
60 . 7 LYS HD3 H 1.81 . .
61 . 7 LYS CE C 42.17 . .
62 . 7 LYS HE2 H 2.99 . .
63 . 7 LYS HE3 H 2.99 . .
64 . 8 ASN H H 8.37 . .
65 . 8 ASN N N 119.09 . .
66 . 8 ASN CA C 53.49 . .
67 . 8 ASN HA H 4.62 . .
68 . 8 ASN C C 174.64 . .
69 . 8 ASN CB C 39.01 . .
70 . 8 ASN HB2 H 2.8 . .
71 . 8 ASN HB3 H 2.8 . .
72 . 9 GLN H H 7.71 . .
73 . 9 GLN N N 117.8 . .
74 . 9 GLN CA C 53.4 . .
75 . 9 GLN HA H 4.43 . .
76 . 9 GLN C C 173.78 . .
77 . 9 GLN CB C 30.0 . .
78 . 10 PRO CA C 63.05 . .
79 . 10 PRO HA H 4.43 . .
80 . 10 PRO C C 176.57 . .
81 . 10 PRO CB C 32.15 . .
82 . 10 PRO HB2 H 1.88 . .
83 . 10 PRO HB3 H 2.01 . .
84 . 10 PRO CG C 27.34 . .
85 . 10 PRO HG2 H 2.28 . .
86 . 10 PRO HG3 H 2.28 . .
87 . 10 PRO CD C 50.63 . .
88 . 10 PRO HD2 H 3.65 . .
89 . 10 PRO HD3 H 3.78 . .
90 . 11 LYS H H 8.4 . .
91 . 11 LYS N N 122.95 . .
92 . 11 LYS CA C 54.25 . .
93 . 11 LYS HA H 4.57 . .
94 . 11 LYS C C 174.55 . .
95 . 11 LYS CB C 32.53 . .
96 . 12 PRO CA C 62.89 . .
97 . 12 PRO HA H 4.44 . .
98 . 12 PRO C C 176.68 . .
99 . 12 PRO CB C 32.24 . .
100 . 12 PRO HB2 H 1.88 . .
101 . 12 PRO HB3 H 2.27 . .
102 . 12 PRO CG C 27.42 . .
103 . 12 PRO HG2 H 2.02 . .
104 . 12 PRO HG3 H 2.02 . .
105 . 12 PRO CD C 50.62 . .
106 . 12 PRO HD2 H 3.63 . .
107 . 12 PRO HD3 H 3.82 . .
108 . 13 SER H H 8.44 . .
109 . 13 SER N N 118.11 . .
110 . 13 SER CA C 56.47 . .
111 . 13 SER HA H 4.45 . .
112 . 13 SER C C 176.68 . .
113 . 13 SER CB C 63.55 . .
114 . 14 PRO CA C 63.2 . .
115 . 14 PRO HA H 4.43 . .
116 . 14 PRO C C 176.71 . .
117 . 14 PRO CB C 32.21 . .
118 . 14 PRO HB2 H 1.9 . .
119 . 14 PRO HB3 H 2.29 . .
120 . 14 PRO CG C 27.35 . .
121 . 14 PRO HG2 H 2.01 . .
122 . 14 PRO HG3 H 2.01 . .
123 . 14 PRO CD C 50.76 . .
124 . 14 PRO HD2 H 3.72 . .
125 . 14 PRO HD3 H 3.83 . .
126 . 15 LYS H H 8.3 . .
127 . 15 LYS N N 121.86 . .
128 . 15 LYS CA C 56.36 . .
129 . 15 LYS HA H 4.29 . .
130 . 15 LYS C C 176.47 . .
131 . 15 LYS CB C 33.14 . .
132 . 15 LYS HB2 H 1.73 . .
133 . 15 LYS HB3 H 1.81 . .
134 . 15 LYS CG C 24.71 . .
135 . 15 LYS HG2 H 1.40 . .
136 . 15 LYS HG3 H 1.40 . .
137 . 15 LYS CD C 29.09 . .
138 . 15 LYS HD2 H 1.67 . .
139 . 15 LYS HD3 H 1.67 . .
140 . 15 LYS CE C 42.18 . .
141 . 15 LYS HE2 H 2.98 . .
142 . 15 LYS HE3 H 2.98 . .
143 . 16 ARG H H 8.39 . .
144 . 16 ARG N N 123.3 . .
145 . 16 ARG CA C 56.61 . .
146 . 16 ARG HA H 4.31 . .
147 . 16 ARG C C 176.45 . .
148 . 16 ARG CB C 30.69 . .
149 . 16 ARG HB2 H 1.78 . .
150 . 16 ARG HB3 H 1.9 . .
151 . 16 ARG CG C 27.31 . .
152 . 16 ARG HG2 H 1.65 . .
153 . 16 ARG HG3 H 1.65 . .
154 . 16 ARG CD C 43.38 . .
155 . 16 ARG HD2 H 3.21 . .
156 . 16 ARG HD3 H 3.21 . .
157 . 17 GLU H H 8.35 . .
158 . 17 GLU N N 121.23 . .
159 . 17 GLU CA C 56.8 . .
160 . 17 GLU HA H 4.24 . .
161 . 17 GLU C C 176.64 . .
162 . 17 GLU CB C 30.15 . .
163 . 17 GLU HB2 H 1.93 . .
164 . 17 GLU HB3 H 2.09 . .
165 . 17 GLU CG C 36.63 . .
166 . 17 GLU HG2 H 2.27 . .
167 . 17 GLU HG3 H 2.27 . .
168 . 18 SER H H 8.37 . .
169 . 18 SER N N 116.33 . .
170 . 18 SER CA C 58.56 . .
171 . 18 SER HA H 4.44 . .
172 . 18 SER C C 174.95 . .
173 . 18 SER CB C 63.89 . .
174 . 18 SER HB2 H 3.86 . .
175 . 18 SER HB3 H 3.91 . .
176 . 19 GLY H H 8.38 . .
177 . 19 GLY N N 110.67 . .
178 . 19 GLY CA C 45.33 . .
179 . 19 GLY HA2 H 3.95 . .
180 . 19 GLY HA3 H 3.99 . .
181 . 19 GLY C C 173.94 . .
182 . 20 GLU H H 8.18 . .
183 . 20 GLU N N 120.18 . .
184 . 20 GLU CA C 56.05 . .
185 . 20 GLU HA H 4.35 . .
186 . 20 GLU C C 176.42 . .
187 . 20 GLU CB C 30.92 . .
188 . 20 GLU HB2 H 2.09 . .
189 . 20 GLU HB3 H 2.09 . .
190 . 20 GLU CG C 36.41 . .
191 . 20 GLU HG2 H 2.22 . .
192 . 20 GLU HG3 H 2.22 . .
193 . 21 GLU H H 8.51 . .
194 . 21 GLU N N 123.14 . .
195 . 21 GLU CA C 57.74 . .
196 . 21 GLU HA H 3.81 . .
197 . 21 GLU C C 175.81 . .
198 . 21 GLU CB C 30.39 . .
199 . 21 GLU HB2 H 1.83 . .
200 . 21 GLU HB3 H 1.52 . .
201 . 21 GLU CG C 35.36 . .
202 . 21 GLU HG2 H 1.45 . .
203 . 21 GLU HG3 H 1.72 . .
204 . 22 PHE H H 8.61 . .
205 . 22 PHE N N 115.62 . .
206 . 22 PHE CA C 56.7 . .
207 . 22 PHE HA H 4.65 . .
208 . 22 PHE C C 176.34 . .
209 . 22 PHE CB C 41.59 . .
210 . 22 PHE HB2 H 2.6 . .
211 . 22 PHE HB3 H 3.17 . .
212 . 22 PHE CD1 C 131.89 . .
213 . 22 PHE HD1 H 7.05 . .
214 . 22 PHE CD2 C 131.89 . .
215 . 22 PHE HD2 H 7.05 . .
216 . 22 PHE CE1 C 130.55 . .
217 . 22 PHE HE1 H 6.36 . .
218 . 22 PHE CE2 C 130.55 . .
219 . 22 PHE HE2 H 6.36 . .
220 . 22 PHE CZ C 129.41 . .
221 . 22 PHE HZ H 6.01 . .
222 . 23 ARG H H 10.01 . .
223 . 23 ARG N N 120.87 . .
224 . 23 ARG CA C 56.89 . .
225 . 23 ARG HA H 4.25 . .
226 . 23 ARG C C 176.42 . .
227 . 23 ARG CB C 30.77 . .
228 . 23 ARG HB2 H 1.73 . .
229 . 23 ARG HB3 H 2.09 . .
230 . 23 ARG CG C 27.47 . .
231 . 23 ARG HG2 H 1.75 . .
232 . 23 ARG HG3 H 1.75 . .
233 . 23 ARG CD C 43.35 . .
234 . 23 ARG HD2 H 3.17 . .
235 . 23 ARG HD3 H 3.17 . .
236 . 24 MET H H 7.23 . .
237 . 24 MET N N 115.31 . .
238 . 24 MET CA C 54.47 . .
239 . 24 MET HA H 4.8 . .
240 . 24 MET C C 176.36 . .
241 . 24 MET CB C 34.46 . .
242 . 24 MET HB2 H 2.3 . .
243 . 24 MET HB3 H 1.85 . .
244 . 24 MET CG C 32.55 . .
245 . 24 MET HG2 H 2.68 . .
246 . 24 MET HG3 H 2.72 . .
247 . 25 GLU H H 7.71 . .
248 . 25 GLU N N 117.9 . .
249 . 25 GLU CA C 60.2 . .
250 . 25 GLU HA H 4.23 . .
251 . 25 GLU C C 178.43 . .
252 . 25 GLU CB C 29.59 . .
253 . 25 GLU HB2 H 2.07 . .
254 . 25 GLU HB3 H 2.2 . .
255 . 25 GLU CG C 35.90 . .
256 . 25 GLU HG2 H 2.14 . .
257 . 25 GLU HG3 H 2.37 . .
258 . 26 LYS H H 9.05 . .
259 . 26 LYS N N 117.12 . .
260 . 26 LYS CA C 59.12 . .
261 . 26 LYS HA H 4.14 . .
262 . 26 LYS C C 178.57 . .
263 . 26 LYS CB C 31.61 . .
264 . 26 LYS HB2 H 1.76 . .
265 . 26 LYS HB3 H 1.94 . .
266 . 26 LYS CG C 24.66 . .
267 . 26 LYS HG2 H 1.35 . .
268 . 26 LYS HG3 H 1.35 . .
269 . 26 LYS CD C 29.16 . .
270 . 26 LYS HD2 H 1.70 . .
271 . 26 LYS HD3 H 1.70 . .
272 . 26 LYS CE C 41.74 . .
273 . 26 LYS HE2 H 2.85 . .
274 . 26 LYS HE3 H 2.85 . .
275 . 27 LEU H H 6.89 . .
276 . 27 LEU N N 115.44 . .
277 . 27 LEU CA C 56.74 . .
278 . 27 LEU HA H 4.04 . .
279 . 27 LEU C C 178.09 . .
280 . 27 LEU CB C 39.34 . .
281 . 27 LEU HB2 H 0.72 . .
282 . 27 LEU HB3 H 1.72 . .
283 . 27 LEU CG C 27.38 . .
284 . 27 LEU CD1 C 25.63 . .
285 . 27 LEU HD1 H 0.88 . .
286 . 27 LEU CD2 C 21.91 . .
287 . 27 LEU HD2 H 0.66 . .
288 . 27 LEU HG H 1.62 . .
289 . 28 ASN H H 7.72 . .
290 . 28 ASN N N 118.11 . .
291 . 28 ASN CA C 57.55 . .
292 . 28 ASN HA H 4.81 . .
293 . 28 ASN C C 178.27 . .
294 . 28 ASN CB C 38.43 . .
295 . 28 ASN HB2 H 3.0 . .
296 . 28 ASN HB3 H 3.03 . .
297 . 28 ASN ND2 N 115.48 . .
298 . 28 ASN HD21 H 7.49 . .
299 . 28 ASN HD22 H 7.10 . .
300 . 29 GLN H H 8.49 . .
301 . 29 GLN N N 118.55 . .
302 . 29 GLN CA C 59.16 . .
303 . 29 GLN HA H 4.16 . .
304 . 29 GLN C C 179.36 . .
305 . 29 GLN CB C 28.24 . .
306 . 29 GLN HB2 H 2.1 . .
307 . 29 GLN HB3 H 2.21 . .
308 . 29 GLN CG C 34.18 . .
309 . 29 GLN HG2 H 2.65 . .
310 . 29 GLN HG3 H 2.45 . .
311 . 29 GLN NE2 N 111.65 . .
312 . 29 GLN HE21 H 6.80 . .
313 . 29 GLN HE22 H 7.66 . .
314 . 30 LEU H H 7.47 . .
315 . 30 LEU N N 120.85 . .
316 . 30 LEU CA C 58.08 . .
317 . 30 LEU HA H 4.11 . .
318 . 30 LEU C C 177.77 . .
319 . 30 LEU CB C 42.3 . .
320 . 30 LEU HB2 H 1.38 . .
321 . 30 LEU HB3 H 1.98 . .
322 . 30 LEU CD1 C 23.56 . .
323 . 30 LEU HD1 H 0.91 . .
324 . 30 LEU CD2 C 23.56 . .
325 . 30 LEU HD2 H 0.91 . .
326 . 30 LEU HG H 1.38 . .
327 . 31 TRP H H 8.21 . .
328 . 31 TRP N N 120.47 . .
329 . 31 TRP CA C 58.7 . .
330 . 31 TRP HA H 4.5 . .
331 . 31 TRP C C 178.01 . .
332 . 31 TRP CB C 30.85 . .
333 . 31 TRP HB2 H 3.66 . .
334 . 31 TRP HB3 H 3.34 . .
335 . 31 TRP CD1 C 127.91 . .
336 . 31 TRP HD1 H 7.55 . .
337 . 31 TRP NE1 N 129.85 . .
338 . 31 TRP HE1 H 10.36 . .
339 . 31 TRP CE3 C 120.16 . .
340 . 31 TRP HE3 H 7.38 . .
341 . 31 TRP CZ2 C 115.04 . .
342 . 31 TRP HZ2 H 7.52 . .
343 . 31 TRP CZ3 C 121.74 . .
344 . 31 TRP HZ3 H 7.29 . .
345 . 31 TRP CH2 C 125.34 . .
346 . 31 TRP HH2 H 7.27 . .
347 . 32 GLU H H 8.35 . .
348 . 32 GLU N N 118.27 . .
349 . 32 GLU CA C 59.69 . .
350 . 32 GLU HA H 3.88 . .
351 . 32 GLU C C 179.54 . .
352 . 32 GLU CB C 29.35 . .
353 . 32 GLU HB2 H 2.09 . .
354 . 32 GLU HB3 H 2.18 . .
355 . 32 GLU CG C 36.39 . .
356 . 32 GLU HG2 H 2.31 . .
357 . 32 GLU HG3 H 2.49 . .
358 . 33 LYS H H 7.97 . .
359 . 33 LYS N N 120.54 . .
360 . 33 LYS CA C 59.6 . .
361 . 33 LYS HA H 3.86 . .
362 . 33 LYS C C 178.66 . .
363 . 33 LYS CB C 32.51 . .
364 . 33 LYS HB2 H 2.0 . .
365 . 33 LYS HB3 H 2.0 . .
366 . 33 LYS CG C 25.42 . .
367 . 33 LYS HG2 H 1.37 . .
368 . 33 LYS HG3 H 1.53 . .
369 . 33 LYS CD C 29.80 . .
370 . 33 LYS HD2 H 1.70 . .
371 . 33 LYS HD3 H 1.70 . .
372 . 33 LYS CE C 42.26 . .
373 . 33 LYS HE2 H 2.96 . .
374 . 33 LYS HE3 H 2.96 . .
375 . 34 ALA H H 8.23 . .
376 . 34 ALA N N 120.15 . .
377 . 34 ALA CA C 54.82 . .
378 . 34 ALA HA H 3.75 . .
379 . 34 ALA C C 179.18 . .
380 . 34 ALA CB C 19.02 . .
381 . 34 ALA HB H 1.22 . .
382 . 35 GLN H H 7.34 . .
383 . 35 GLN N N 113.92 . .
384 . 35 GLN CA C 58.12 . .
385 . 35 GLN HA H 3.73 . .
386 . 35 GLN C C 178.96 . .
387 . 35 GLN CB C 28.86 . .
388 . 35 GLN HB2 H 2.03 . .
389 . 35 GLN HB3 H 1.87 . .
390 . 35 GLN CG C 33.87 . .
391 . 35 GLN HG2 H 1.82 . .
392 . 35 GLN HG3 H 1.82 . .
393 . 35 GLN NE2 N 110.28 . .
394 . 35 GLN HE21 H 5.62 . .
395 . 35 GLN HE22 H 5.83 . .
396 . 36 ARG H H 7.7 . .
397 . 36 ARG N N 118.95 . .
398 . 36 ARG CA C 57.62 . .
399 . 36 ARG HA H 4.08 . .
400 . 36 ARG C C 177.25 . .
401 . 36 ARG CB C 30.13 . .
402 . 36 ARG HB2 H 1.88 . .
403 . 36 ARG HB3 H 1.91 . .
404 . 36 ARG CG C 27.75 . .
405 . 36 ARG HG2 H 1.64 . .
406 . 36 ARG HG3 H 1.75 . .
407 . 36 ARG CD C 43.49 . .
408 . 36 ARG HD2 H 3.19 . .
409 . 36 ARG HD3 H 3.19 . .
410 . 37 LEU H H 7.37 . .
411 . 37 LEU N N 118.0 . .
412 . 37 LEU CA C 55.01 . .
413 . 37 LEU HA H 4.2 . .
414 . 37 LEU C C 176.48 . .
415 . 37 LEU CB C 42.27 . .
416 . 37 LEU HB2 H 1.63 . .
417 . 37 LEU HB3 H 1.75 . .
418 . 37 LEU CG C 27.50 . .
419 . 37 LEU CD1 C 22.50 . .
420 . 37 LEU HD1 H 0.87 . .
421 . 37 LEU CD2 C 22.50 . .
422 . 37 LEU HD2 H 0.87 . .
423 . 37 LEU HG H 1.62 . .
424 . 38 HIS H H 7.82 . .
425 . 38 HIS N N 114.34 . .
426 . 38 HIS CA C 56.02 . .
427 . 38 HIS HA H 4.22 . .
428 . 38 HIS C C 174.97 . .
429 . 38 HIS CB C 25.96 . .
430 . 38 HIS HB2 H 3.28 . .
431 . 38 HIS HB3 H 3.42 . .
432 . 38 HIS CD2 C 120.02 . .
433 . 38 HIS HD2 H 7.18 . .
434 . 38 HIS CE1 C 136.50 . .
435 . 38 HIS HE1 H 8.36 . .
436 . 39 LEU H H 7.8 . .
437 . 39 LEU N N 120.14 . .
438 . 39 LEU CA C 54.28 . .
439 . 39 LEU HA H 4.5 . .
440 . 39 LEU C C 174.37 . .
441 . 39 LEU CB C 41.63 . .
442 . 39 LEU HB2 H 1.37 . .
443 . 39 LEU HB3 H 1.52 . .
444 . 39 LEU CG C 28.22 . .
445 . 39 LEU CD1 C 25.34 . .
446 . 39 LEU HD1 H 1.02 . .
447 . 39 LEU CD2 C 23.94 . .
448 . 39 LEU HD2 H 1.02 . .
449 . 39 LEU HG H 1.87 . .
450 . 40 PRO CA C 61.55 . .
451 . 40 PRO HA H 4.8 . .
452 . 40 PRO CB C 31.49 . .
453 . 40 PRO HB2 H 2.0 . .
454 . 40 PRO HB3 H 2.61 . .
455 . 40 PRO CG C 28.03 . .
456 . 40 PRO HG2 H 2.17 . .
457 . 40 PRO HG3 H 2.27 . .
458 . 40 PRO CD C 50.43 . .
459 . 40 PRO HD2 H 4.11 . .
460 . 40 PRO HD3 H 3.56 . .
461 . 41 PRO CA C 66.68 . .
462 . 41 PRO HA H 4.21 . .
463 . 41 PRO C C 179.34 . .
464 . 41 PRO CB C 32.04 . .
465 . 41 PRO HB2 H 2.08 . .
466 . 41 PRO HB3 H 2.46 . .
467 . 41 PRO CG C 27.64 . .
468 . 41 PRO HG2 H 2.14 . .
469 . 41 PRO HG3 H 2.27 . .
470 . 41 PRO CD C 50.57 . .
471 . 41 PRO HD2 H 3.97 . .
472 . 41 PRO HD3 H 3.93 . .
473 . 42 VAL H H 8.59 . .
474 . 42 VAL N N 116.38 . .
475 . 42 VAL CA C 65.79 . .
476 . 42 VAL HA H 4.04 . .
477 . 42 VAL C C 177.69 . .
478 . 42 VAL CB C 31.42 . .
479 . 42 VAL HB H 2.16 . .
480 . 42 VAL CG1 C 21.98 . .
481 . 42 VAL HG1 H 1.09 . .
482 . 42 VAL CG2 C 20.77 . .
483 . 42 VAL HG2 H 1.02 . .
484 . 43 ARG H H 7.24 . .
485 . 43 ARG N N 120.23 . .
486 . 43 ARG CA C 57.65 . .
487 . 43 ARG HA H 4.57 . .
488 . 43 ARG C C 178.49 . .
489 . 43 ARG CB C 30.77 . .
490 . 43 ARG HB2 H 2.11 . .
491 . 43 ARG HB3 H 2.11 . .
492 . 43 ARG CG C 26.89 . .
493 . 43 ARG HG2 H 1.91 . .
494 . 43 ARG HG3 H 2.05 . .
495 . 43 ARG CD C 43.22 . .
496 . 43 ARG HD2 H 3.36 . .
497 . 43 ARG HD3 H 3.53 . .
498 . 44 LEU H H 8.26 . .
499 . 44 LEU N N 120.11 . .
500 . 44 LEU CA C 58.04 . .
501 . 44 LEU HA H 4.08 . .
502 . 44 LEU C C 178.76 . .
503 . 44 LEU CB C 41.69 . .
504 . 44 LEU HB2 H 1.79 . .
505 . 44 LEU HB3 H 1.79 . .
506 . 44 LEU CG C 26.58 . .
507 . 44 LEU CD1 C 24.34 . .
508 . 44 LEU HD1 H 0.56 . .
509 . 44 LEU CD2 C 25.56 . .
510 . 44 LEU HD2 H 0.69 . .
511 . 44 LEU HG H 1.65 . .
512 . 45 ALA H H 8.02 . .
513 . 45 ALA N N 120.39 . .
514 . 45 ALA CA C 55.1 . .
515 . 45 ALA HA H 4.3 . .
516 . 45 ALA C C 181.28 . .
517 . 45 ALA CB C 17.9 . .
518 . 45 ALA HB H 1.58 . .
519 . 46 GLU H H 7.7 . .
520 . 46 GLU N N 122.16 . .
521 . 46 GLU CA C 59.71 . .
522 . 46 GLU HA H 4.12 . .
523 . 46 GLU C C 178.84 . .
524 . 46 GLU CB C 29.68 . .
525 . 46 GLU HB2 H 2.51 . .
526 . 46 GLU HB3 H 2.59 . .
527 . 46 GLU CG C 36.74 . .
528 . 46 GLU HG2 H 2.43 . .
529 . 46 GLU HG3 H 2.72 . .
530 . 47 LEU H H 8.5 . .
531 . 47 LEU N N 121.95 . .
532 . 47 LEU CA C 58.27 . .
533 . 47 LEU HA H 3.7 . .
534 . 47 LEU C C 178.04 . .
535 . 47 LEU CB C 40.09 . .
536 . 47 LEU HB2 H 2.03 . .
537 . 47 LEU HB3 H 0.55 . .
538 . 47 LEU CG C 27.22 . .
539 . 47 LEU CD1 C 23.23 . .
540 . 47 LEU HD1 H 0.39 . .
541 . 47 LEU CD2 C 28.07 . .
542 . 47 LEU HD2 H 0.73 . .
543 . 47 LEU HG H 1.38 . .
544 . 48 HIS H H 8.91 . .
545 . 48 HIS N N 119.17 . .
546 . 48 HIS CA C 61.85 . .
547 . 48 HIS HA H 3.53 . .
548 . 48 HIS C C 176.78 . .
549 . 48 HIS CB C 29.61 . .
550 . 48 HIS HB2 H 3.18 . .
551 . 48 HIS HB3 H 3.42 . .
552 . 48 HIS CD2 C 117.68 . .
553 . 48 HIS HD2 H 5.14 . .
554 . 48 HIS CE1 C 136.71 . .
555 . 48 HIS HE1 H 7.80 . .
556 . 49 ALA H H 7.65 . .
557 . 49 ALA N N 119.34 . .
558 . 49 ALA CA C 55.31 . .
559 . 49 ALA HA H 4.18 . .
560 . 49 ALA C C 181.01 . .
561 . 49 ALA CB C 18.02 . .
562 . 49 ALA HB H 1.64 . .
563 . 50 ASP H H 8.34 . .
564 . 50 ASP N N 120.67 . .
565 . 50 ASP CA C 57.81 . .
566 . 50 ASP HA H 4.6 . .
567 . 50 ASP C C 180.08 . .
568 . 50 ASP CB C 40.94 . .
569 . 50 ASP HB2 H 2.6 . .
570 . 50 ASP HB3 H 2.95 . .
571 . 51 LEU H H 9.05 . .
572 . 51 LEU N N 120.47 . .
573 . 51 LEU CA C 57.15 . .
574 . 51 LEU HA H 3.9 . .
575 . 51 LEU C C 178.86 . .
576 . 51 LEU CB C 41.84 . .
577 . 51 LEU HB2 H 1.77 . .
578 . 51 LEU HB3 H 1.77 . .
579 . 51 LEU CG C 26.18 . .
580 . 51 LEU CD1 C 26.35 . .
581 . 51 LEU HD1 H 0.63 . .
582 . 51 LEU CD2 C 22.50 . .
583 . 51 LEU HD2 H 0.62 . .
584 . 51 LEU HG H 1.77 . .
585 . 52 LYS H H 8.34 . .
586 . 52 LYS N N 120.66 . .
587 . 52 LYS CA C 58.19 . .
588 . 52 LYS HA H 4.17 . .
589 . 52 LYS C C 180.23 . .
590 . 52 LYS CB C 31.7 . .
591 . 52 LYS HB2 H 1.83 . .
592 . 52 LYS HB3 H 2.16 . .
593 . 52 LYS CG C 24.30 . .
594 . 52 LYS HG2 H 1.29 . .
595 . 52 LYS HG3 H 1.46 . .
596 . 52 LYS CD C 28.37 . .
597 . 52 LYS HD2 H 1.60 . .
598 . 52 LYS HD3 H 1.60 . .
599 . 52 LYS CE C 41.42 . .
600 . 52 LYS HE2 H 2.83 . .
601 . 52 LYS HE3 H 2.39 . .
602 . 53 ILE H H 7.62 . .
603 . 53 ILE N N 122.63 . .
604 . 53 ILE CA C 64.75 . .
605 . 53 ILE HA H 3.73 . .
606 . 53 ILE C C 177.28 . .
607 . 53 ILE CB C 37.48 . .
608 . 53 ILE HB H 2.12 . .
609 . 53 ILE CG2 C 17.50 . .
610 . 53 ILE HG2 H 0.94 . .
611 . 53 ILE CG1 C 29.07 . .
612 . 53 ILE HG12 H 1.76 . .
613 . 53 ILE HG13 H 1.25 . .
614 . 53 ILE CD1 C 12.43 . .
615 . 53 ILE HD1 H 0.91 . .
616 . 54 GLN H H 7.83 . .
617 . 54 GLN N N 120.28 . .
618 . 54 GLN CA C 58.93 . .
619 . 54 GLN HA H 3.9 . .
620 . 54 GLN C C 177.79 . .
621 . 54 GLN CB C 26.41 . .
622 . 54 GLN HB2 H 2.01 . .
623 . 54 GLN HB3 H 2.18 . .
624 . 54 GLN CG C 31.58 . .
625 . 54 GLN HG2 H 2.17 . .
626 . 54 GLN HG3 H 2.43 . .
627 . 54 GLN NE2 N 111.97 . .
628 . 54 GLN HE21 H 8.76 . .
629 . 54 GLN HE22 H 6.55 . .
630 . 55 GLU H H 8.88 . .
631 . 55 GLU N N 119.66 . .
632 . 55 GLU CA C 60.25 . .
633 . 55 GLU HA H 3.75 . .
634 . 55 GLU C C 177.21 . .
635 . 55 GLU CB C 30.72 . .
636 . 55 GLU HB2 H 2.23 . .
637 . 55 GLU HB3 H 2.46 . .
638 . 55 GLU CG C 37.91 . .
639 . 55 GLU HG2 H 2.13 . .
640 . 55 GLU HG3 H 2.13 . .
641 . 56 ARG H H 7.75 . .
642 . 56 ARG N N 119.04 . .
643 . 56 ARG CA C 59.78 . .
644 . 56 ARG HA H 4.03 . .
645 . 56 ARG C C 179.92 . .
646 . 56 ARG CB C 29.66 . .
647 . 56 ARG HB2 H 2.09 . .
648 . 56 ARG HB3 H 2.24 . .
649 . 56 ARG CG C 26.67 . .
650 . 56 ARG HG2 H 1.59 . .
651 . 56 ARG HG3 H 1.98 . .
652 . 56 ARG CD C 43.52 . .
653 . 56 ARG HD2 H 3.23 . .
654 . 56 ARG HD3 H 3.29 . .
655 . 57 ASP H H 8.46 . .
656 . 57 ASP N N 121.46 . .
657 . 57 ASP CA C 57.43 . .
658 . 57 ASP HA H 4.51 . .
659 . 57 ASP C C 179.7 . .
660 . 57 ASP CB C 39.89 . .
661 . 57 ASP HB2 H 2.62 . .
662 . 57 ASP HB3 H 2.78 . .
663 . 58 GLU H H 9.22 . .
664 . 58 GLU N N 123.98 . .
665 . 58 GLU CA C 60.74 . .
666 . 58 GLU HA H 4.27 . .
667 . 58 GLU C C 179.69 . .
668 . 58 GLU CB C 29.18 . .
669 . 58 GLU HB2 H 2.35 . .
670 . 58 GLU HB3 H 2.28 . .
671 . 58 GLU CG C 37.29 . .
672 . 58 GLU HG2 H 2.35 . .
673 . 58 GLU HG3 H 2.52 . .
674 . 59 LEU H H 8.63 . .
675 . 59 LEU N N 120.63 . .
676 . 59 LEU CA C 58.18 . .
677 . 59 LEU HA H 4.16 . .
678 . 59 LEU C C 180.27 . .
679 . 59 LEU CB C 41.5 . .
680 . 59 LEU HB2 H 1.54 . .
681 . 59 LEU HB3 H 1.99 . .
682 . 59 LEU CG C 26.54 . .
683 . 59 LEU CD1 C 25.98 . .
684 . 59 LEU HD1 H 0.92 . .
685 . 59 LEU CD2 C 22.95 . .
686 . 59 LEU HD2 H 0.92 . .
687 . 59 LEU HG H 1.90 . .
688 . 60 ALA H H 8.06 . .
689 . 60 ALA N N 122.01 . .
690 . 60 ALA CA C 55.13 . .
691 . 60 ALA HA H 4.2 . .
692 . 60 ALA C C 180.7 . .
693 . 60 ALA CB C 18.22 . .
694 . 60 ALA HB H 1.62 . .
695 . 61 TRP H H 8.44 . .
696 . 61 TRP N N 120.86 . .
697 . 61 TRP CA C 61.34 . .
698 . 61 TRP HA H 4.13 . .
699 . 61 TRP C C 176.4 . .
700 . 61 TRP CB C 28.31 . .
701 . 61 TRP HB2 H 3.6 . .
702 . 61 TRP HB3 H 3.37 . .
703 . 61 TRP CD1 C 125.66 . .
704 . 61 TRP HD1 H 6.89 . .
705 . 61 TRP NE1 N 130.01 . .
706 . 61 TRP HE1 H 10.93 . .
707 . 61 TRP CE3 C 121.08 . .
708 . 61 TRP HE3 H 7.08 . .
709 . 61 TRP CZ2 C 113.82 . .
710 . 61 TRP HZ2 H 7.54 . .
711 . 61 TRP CZ3 C 120.78 . .
712 . 61 TRP HZ3 H 7.69 . .
713 . 61 TRP CH2 C 124.31 . .
714 . 61 TRP HH2 H 7.15 . .
715 . 62 LYS H H 8.26 . .
716 . 62 LYS N N 118.99 . .
717 . 62 LYS CA C 59.46 . .
718 . 62 LYS HA H 3.05 . .
719 . 62 LYS C C 178.59 . .
720 . 62 LYS CB C 32.14 . .
721 . 62 LYS HB2 H 1.98 . .
722 . 62 LYS HB3 H 1.86 . .
723 . 62 LYS CG C 25.05 . .
724 . 62 LYS HG2 H 1.50 . .
725 . 62 LYS HG3 H 1.73 . .
726 . 62 LYS CD C 29.40 . .
727 . 62 LYS HD2 H 1.73 . .
728 . 62 LYS HD3 H 1.73 . .
729 . 62 LYS CE C 42.05 . .
730 . 62 LYS HE2 H 3.00 . .
731 . 62 LYS HE3 H 3.00 . .
732 . 63 LYS H H 7.0 . .
733 . 63 LYS N N 116.89 . .
734 . 63 LYS CA C 58.97 . .
735 . 63 LYS HA H 3.96 . .
736 . 63 LYS C C 177.98 . .
737 . 63 LYS CB C 32.38 . .
738 . 63 LYS HB2 H 1.92 . .
739 . 63 LYS HB3 H 1.86 . .
740 . 63 LYS CG C 24.97 . .
741 . 63 LYS HG2 H 1.41 . .
742 . 63 LYS HG3 H 1.51 . .
743 . 63 LYS CD C 28.91 . .
744 . 63 LYS HD2 H 1.67 . .
745 . 63 LYS HD3 H 1.67 . .
746 . 63 LYS CE C 42.27 . .
747 . 63 LYS HE2 H 3.09 . .
748 . 63 LYS HE3 H 3.13 . .
749 . 64 LEU H H 7.4 . .
750 . 64 LEU N N 119.36 . .
751 . 64 LEU CA C 57.89 . .
752 . 64 LEU HA H 4.03 . .
753 . 64 LEU C C 179.34 . .
754 . 64 LEU CB C 41.39 . .
755 . 64 LEU HB2 H 1.3 . .
756 . 64 LEU HB3 H 1.9 . .
757 . 64 LEU CG C 26.30 . .
758 . 64 LEU CD1 C 26.06 . .
759 . 64 LEU HD1 H 0.92 . .
760 . 64 LEU CD2 C 23.93 . .
761 . 64 LEU HD2 H 0.92 . .
762 . 64 LEU HG H 1.66 . .
763 . 65 LYS H H 8.38 . .
764 . 65 LYS N N 119.68 . .
765 . 65 LYS CA C 57.29 . .
766 . 65 LYS HA H 3.75 . .
767 . 65 LYS C C 181.16 . .
768 . 65 LYS CB C 31.01 . .
769 . 65 LYS HB2 H 0.82 . .
770 . 65 LYS HB3 H 1.31 . .
771 . 65 LYS CG C 23.41 . .
772 . 65 LYS HG2 H 0.88 . .
773 . 65 LYS HG3 H 1.04 . .
774 . 65 LYS CD C 28.47 . .
775 . 65 LYS HD2 H 1.65 . .
776 . 65 LYS HD3 H 1.80 . .
777 . 65 LYS CE C 42.04 . .
778 . 65 LYS HE2 H 3.05 . .
779 . 65 LYS HE3 H 2.97 . .
780 . 66 LEU H H 7.74 . .
781 . 66 LEU N N 122.23 . .
782 . 66 LEU CA C 57.57 . .
783 . 66 LEU HA H 4.04 . .
784 . 66 LEU C C 178.32 . .
785 . 66 LEU CB C 41.59 . .
786 . 66 LEU HB2 H 1.63 . .
787 . 66 LEU HB3 H 1.79 . .
788 . 66 LEU CG C 26.79 . .
789 . 66 LEU CD1 C 23.39 . .
790 . 66 LEU HD1 H 0.87 . .
791 . 66 LEU CD2 C 23.39 . .
792 . 66 LEU HD2 H 0.87 . .
793 . 66 LEU HG H 1.72 . .
794 . 67 ASP H H 7.64 . .
795 . 67 ASP N N 118.07 . .
796 . 67 ASP CA C 54.75 . .
797 . 67 ASP HA H 4.7 . .
798 . 67 ASP C C 176.36 . .
799 . 67 ASP CB C 41.1 . .
800 . 67 ASP HB2 H 2.84 . .
801 . 67 ASP HB3 H 2.69 . .
802 . 68 GLY H H 7.75 . .
803 . 68 GLY N N 107.34 . .
804 . 68 GLY CA C 46.12 . .
805 . 68 GLY HA2 H 3.92 . .
806 . 68 GLY HA3 H 4.17 . .
807 . 68 GLY C C 175.47 . .
808 . 69 LEU H H 7.93 . .
809 . 69 LEU N N 119.1 . .
810 . 69 LEU CA C 54.52 . .
811 . 69 LEU HA H 4.61 . .
812 . 69 LEU C C 176.19 . .
813 . 69 LEU CB C 41.91 . .
814 . 69 LEU HB2 H 1.78 . .
815 . 69 LEU HB3 H 1.66 . .
816 . 69 LEU CG C 27.34 . .
817 . 69 LEU CD1 C 25.78 . .
818 . 69 LEU HD1 H 1.00 . .
819 . 69 LEU CD2 C 22.78 . .
820 . 69 LEU HD2 H 0.88 . .
821 . 69 LEU HG H 1.50 . .
822 . 70 ASP H H 8.91 . .
823 . 70 ASP N N 120.38 . .
824 . 70 ASP CA C 54.1 . .
825 . 70 ASP HA H 5.21 . .
826 . 70 ASP C C 177.54 . .
827 . 70 ASP CB C 43.15 . .
828 . 70 ASP HB2 H 2.84 . .
829 . 70 ASP HB3 H 2.13 . .
830 . 71 GLU H H 8.76 . .
831 . 71 GLU N N 120.67 . .
832 . 71 GLU CA C 59.08 . .
833 . 71 GLU HA H 4.06 . .
834 . 71 GLU C C 177.86 . .
835 . 71 GLU CB C 29.79 . .
836 . 71 GLU HB2 H 2.02 . .
837 . 71 GLU HB3 H 2.09 . .
838 . 71 GLU CG C 36.68 . .
839 . 71 GLU HG2 H 2.28 . .
840 . 71 GLU HG3 H 2.36 . .
841 . 72 ASP H H 8.15 . .
842 . 72 ASP N N 115.34 . .
843 . 72 ASP CA C 53.47 . .
844 . 72 ASP HA H 4.66 . .
845 . 72 ASP C C 177.64 . .
846 . 72 ASP CB C 40.75 . .
847 . 72 ASP HB2 H 3.02 . .
848 . 72 ASP HB3 H 2.73 . .
849 . 73 GLY H H 7.65 . .
850 . 73 GLY N N 108.32 . .
851 . 73 GLY CA C 46.31 . .
852 . 73 GLY HA2 H 4.1 . .
853 . 73 GLY HA3 H 4.24 . .
854 . 73 GLY C C 175.72 . .
855 . 74 GLU H H 8.26 . .
856 . 74 GLU N N 122.34 . .
857 . 74 GLU CA C 59.66 . .
858 . 74 GLU HA H 4.07 . .
859 . 74 GLU C C 179.73 . .
860 . 74 GLU CB C 29.86 . .
861 . 74 GLU HB2 H 2.16 . .
862 . 74 GLU HB3 H 2.16 . .
863 . 74 GLU CG C 36.42 . .
864 . 74 GLU HG2 H 2.16 . .
865 . 74 GLU HG3 H 2.34 . .
866 . 75 LYS H H 10.16 . .
867 . 75 LYS N N 121.97 . .
868 . 75 LYS CA C 59.6 . .
869 . 75 LYS HA H 4.09 . .
870 . 75 LYS C C 179.65 . .
871 . 75 LYS CB C 31.5 . .
872 . 75 LYS HB2 H 1.95 . .
873 . 75 LYS HB3 H 1.84 . .
874 . 75 LYS CG C 26.25 . .
875 . 75 LYS HG2 H 1.50 . .
876 . 75 LYS HG3 H 1.67 . .
877 . 75 LYS CD C 29.50 . .
878 . 75 LYS HD2 H 1.65 . .
879 . 75 LYS HD3 H 1.81 . .
880 . 75 LYS CE C 42.55 . .
881 . 75 LYS HE2 H 3.10 . .
882 . 75 LYS HE3 H 3.10 . .
883 . 76 GLU H H 8.61 . .
884 . 76 GLU N N 125.12 . .
885 . 76 GLU CA C 59.03 . .
886 . 76 GLU HA H 2.78 . .
887 . 76 GLU C C 177.65 . .
888 . 76 GLU CB C 29.44 . .
889 . 76 GLU HB2 H 1.92 . .
890 . 76 GLU HB3 H 2.07 . .
891 . 76 GLU CG C 35.40 . .
892 . 76 GLU HG2 H 1.33 . .
893 . 76 GLU HG3 H 1.92 . .
894 . 77 ALA H H 8.01 . .
895 . 77 ALA N N 119.0 . .
896 . 77 ALA CA C 55.07 . .
897 . 77 ALA HA H 3.94 . .
898 . 77 ALA C C 180.73 . .
899 . 77 ALA CB C 17.87 . .
900 . 77 ALA HB H 1.45 . .
901 . 78 ARG H H 7.52 . .
902 . 78 ARG N N 118.94 . .
903 . 78 ARG CA C 59.1 . .
904 . 78 ARG HA H 3.89 . .
905 . 78 ARG C C 177.66 . .
906 . 78 ARG CB C 30.1 . .
907 . 78 ARG HB2 H 1.91 . .
908 . 78 ARG HB3 H 1.91 . .
909 . 78 ARG CG C 27.50 . .
910 . 78 ARG HG2 H 1.63 . .
911 . 78 ARG HG3 H 1.77 . .
912 . 78 ARG CD C 43.44 . .
913 . 78 ARG HD2 H 3.22 . .
914 . 78 ARG HD3 H 3.22 . .
915 . 79 LEU H H 7.42 . .
916 . 79 LEU N N 120.36 . .
917 . 79 LEU CA C 58.18 . .
918 . 79 LEU HA H 4.01 . .
919 . 79 LEU C C 179.96 . .
920 . 79 LEU CB C 41.96 . .
921 . 79 LEU HB2 H 1.38 . .
922 . 79 LEU HB3 H 1.65 . .
923 . 79 LEU CG C 26.50 . .
924 . 79 LEU CD1 C 25.63 . .
925 . 79 LEU HD1 H 0.57 . .
926 . 79 LEU CD2 C 24.38 . .
927 . 79 LEU HD2 H 0.68 . .
928 . 79 LEU HG H 1.50 . .
929 . 80 ILE H H 7.71 . .
930 . 80 ILE N N 120.27 . .
931 . 80 ILE CA C 64.48 . .
932 . 80 ILE HA H 3.59 . .
933 . 80 ILE C C 178.38 . .
934 . 80 ILE CB C 38.23 . .
935 . 80 ILE HB H 1.76 . .
936 . 80 ILE CG2 C 16.89 . .
937 . 80 ILE HG2 H 0.86 . .
938 . 80 ILE CG1 C 28.84 . .
939 . 80 ILE HG12 H 1.01 . .
940 . 80 ILE HG13 H 1.54 . .
941 . 80 ILE CD1 C 13.20 . .
942 . 80 ILE HD1 H 0.73 . .
943 . 81 ARG H H 7.91 . .
944 . 81 ARG N N 120.63 . .
945 . 81 ARG CA C 59.85 . .
946 . 81 ARG HA H 4.05 . .
947 . 81 ARG C C 179.24 . .
948 . 81 ARG CB C 29.88 . .
949 . 81 ARG HB2 H 1.92 . .
950 . 81 ARG HB3 H 1.96 . .
951 . 81 ARG CG C 27.50 . .
952 . 81 ARG HG2 H 1.55 . .
953 . 81 ARG HG3 H 1.83 . .
954 . 81 ARG CD C 43.70 . .
955 . 81 ARG HD2 H 3.18 . .
956 . 81 ARG HD3 H 3.24 . .
957 . 82 ASN H H 8.4 . .
958 . 82 ASN N N 118.3 . .
959 . 82 ASN CA C 55.91 . .
960 . 82 ASN HA H 4.42 . .
961 . 82 ASN C C 178.48 . .
962 . 82 ASN CB C 37.54 . .
963 . 82 ASN HB2 H 2.97 . .
964 . 82 ASN HB3 H 3.03 . .
965 . 82 ASN ND2 N 111.60 . .
966 . 82 ASN HD21 H 8.32 . .
967 . 82 ASN HD22 H 6.69 . .
968 . 83 LEU H H 7.95 . .
969 . 83 LEU N N 122.55 . .
970 . 83 LEU CA C 57.99 . .
971 . 83 LEU HA H 4.0 . .
972 . 83 LEU C C 178.17 . .
973 . 83 LEU CB C 40.65 . .
974 . 83 LEU HB2 H 2.01 . .
975 . 83 LEU HB3 H 1.54 . .
976 . 83 LEU CG C 26.95 . .
977 . 83 LEU CD1 C 22.90 . .
978 . 83 LEU HD1 H 0.72 . .
979 . 83 LEU CD2 C 25.76 . .
980 . 83 LEU HD2 H 0.83 . .
981 . 83 LEU HG H 1.54 . .
982 . 84 ASN H H 8.15 . .
983 . 84 ASN N N 118.16 . .
984 . 84 ASN CA C 56.41 . .
985 . 84 ASN HA H 4.43 . .
986 . 84 ASN C C 178.92 . .
987 . 84 ASN CB C 37.55 . .
988 . 84 ASN HB2 H 3.02 . .
989 . 84 ASN HB3 H 2.77 . .
990 . 84 ASN ND2 N 111.28 . .
991 . 84 ASN HD21 H 6.83 . .
992 . 84 ASN HD22 H 7.45 . .
993 . 85 VAL H H 8.06 . .
994 . 85 VAL N N 122.76 . .
995 . 85 VAL CA C 66.89 . .
996 . 85 VAL HA H 3.71 . .
997 . 85 VAL C C 178.53 . .
998 . 85 VAL CB C 31.6 . .
999 . 85 VAL HB H 2.34 . .
1000 . 85 VAL CG1 C 22.82 . .
1001 . 85 VAL HG1 H 1.12 . .
1002 . 85 VAL CG2 C 21.00 . .
1003 . 85 VAL HG2 H 0.94 . .
1004 . 86 ILE H H 7.56 . .
1005 . 86 ILE N N 121.9 . .
1006 . 86 ILE CA C 66.21 . .
1007 . 86 ILE HA H 3.68 . .
1008 . 86 ILE C C 177.79 . .
1009 . 86 ILE CB C 38.2 . .
1010 . 86 ILE HB H 2.25 . .
1011 . 86 ILE CG2 C 17.31 . .
1012 . 86 ILE HG2 H 0.93 . .
1013 . 86 ILE CG1 C 29.76 . .
1014 . 86 ILE HG12 H 1.08 . .
1015 . 86 ILE HG13 H 2.00 . .
1016 . 86 ILE CD1 C 13.89 . .
1017 . 86 ILE HD1 H 0.82 . .
1018 . 87 LEU H H 8.5 . .
1019 . 87 LEU N N 117.32 . .
1020 . 87 LEU CA C 59.11 . .
1021 . 87 LEU HA H 3.91 . .
1022 . 87 LEU C C 179.54 . .
1023 . 87 LEU CB C 41.5 . .
1024 . 87 LEU HB2 H 1.3 . .
1025 . 87 LEU HB3 H 1.97 . .
1026 . 87 LEU CG C 26.85 . .
1027 . 87 LEU CD1 C 24.60 . .
1028 . 87 LEU HD1 H 0.82 . .
1029 . 87 LEU CD2 C 25.57 . .
1030 . 87 LEU HD2 H 0.93 . .
1031 . 87 LEU HG H 1.97 . .
1032 . 88 ALA H H 7.71 . .
1033 . 88 ALA N N 119.12 . .
1034 . 88 ALA CA C 54.36 . .
1035 . 88 ALA HA H 4.2 . .
1036 . 88 ALA C C 180.51 . .
1037 . 88 ALA CB C 18.45 . .
1038 . 88 ALA HB H 1.49 . .
1039 . 89 LYS H H 8.38 . .
1040 . 89 LYS N N 120.6 . .
1041 . 89 LYS CA C 59.25 . .
1042 . 89 LYS HA H 3.82 . .
1043 . 89 LYS C C 178.02 . .
1044 . 89 LYS CB C 33.02 . .
1045 . 89 LYS HB2 H 1.62 . .
1046 . 89 LYS HB3 H 1.77 . .
1047 . 89 LYS CG C 24.45 . .
1048 . 89 LYS HG2 H 0.30 . .
1049 . 89 LYS HG3 H 1.11 . .
1050 . 89 LYS CD C 30.05 . .
1051 . 89 LYS HD2 H 1.42 . .
1052 . 89 LYS HD3 H 1.51 . .
1053 . 89 LYS CE C 41.81 . .
1054 . 89 LYS HE2 H 2.69 . .
1055 . 89 LYS HE3 H 2.75 . .
1056 . 90 TYR H H 7.28 . .
1057 . 90 TYR N N 111.76 . .
1058 . 90 TYR CA C 58.05 . .
1059 . 90 TYR HA H 4.57 . .
1060 . 90 TYR C C 175.02 . .
1061 . 90 TYR CB C 39.17 . .
1062 . 90 TYR HB2 H 3.35 . .
1063 . 90 TYR HB3 H 2.51 . .
1064 . 90 TYR CD1 C 134.10 . .
1065 . 90 TYR HD1 H 7.42 . .
1066 . 90 TYR CD2 C 134.10 . .
1067 . 90 TYR HD2 H 7.42 . .
1068 . 90 TYR CE1 C 117.81 . .
1069 . 90 TYR HE1 H 7.02 . .
1070 . 90 TYR CE2 C 117.81 . .
1071 . 90 TYR HE2 H 7.02 . .
1072 . 91 GLY H H 7.57 . .
1073 . 91 GLY N N 107.7 . .
1074 . 91 GLY CA C 46.89 . .
1075 . 91 GLY HA2 H 4.04 . .
1076 . 91 GLY HA3 H 4.12 . .
1077 . 91 GLY C C 175.94 . .
1078 . 92 LEU H H 8.35 . .
1079 . 92 LEU N N 117.81 . .
1080 . 92 LEU CA C 54.84 . .
1081 . 92 LEU HA H 4.34 . .
1082 . 92 LEU C C 175.7 . .
1083 . 92 LEU CB C 43.48 . .
1084 . 92 LEU HB2 H 1.75 . .
1085 . 92 LEU HB3 H 1.75 . .
1086 . 92 LEU CG C 26.30 . .
1087 . 92 LEU CD1 C 26.20 . .
1088 . 92 LEU HD1 H 0.93 . .
1089 . 92 LEU CD2 C 23.10 . .
1090 . 92 LEU HD2 H 0.79 . .
1091 . 92 LEU HG H 1.68 . .
1092 . 93 ASP H H 8.43 . .
1093 . 93 ASP N N 118.5 . .
1094 . 93 ASP CA C 53.45 . .
1095 . 93 ASP HA H 4.5 . .
1096 . 93 ASP C C 176.41 . .
1097 . 93 ASP CB C 40.86 . .
1098 . 93 ASP HB2 H 2.48 . .
1099 . 93 ASP HB3 H 2.73 . .
1100 . 94 GLY H H 8.17 . .
1101 . 94 GLY N N 108.65 . .
1102 . 94 GLY CA C 45.6 . .
1103 . 94 GLY HA2 H 3.9 . .
1104 . 94 GLY HA3 H 3.94 . .
1105 . 94 GLY C C 174.31 . .
1106 . 95 LYS H H 8.07 . .
1107 . 95 LYS N N 120.74 . .
1108 . 95 LYS CA C 56.61 . .
1109 . 95 LYS HA H 4.27 . .
1110 . 95 LYS C C 176.22 . .
1111 . 95 LYS CB C 33.11 . .
1112 . 95 LYS HB2 H 1.38 . .
1113 . 95 LYS HB3 H 1.43 . .
1114 . 95 LYS CG C 24.84 . .
1115 . 95 LYS HG2 H 1.67 . .
1116 . 95 LYS HG3 H 1.67 . .
1117 . 95 LYS CD C 29.02 . .
1118 . 95 LYS HD2 H 1.81 . .
1119 . 95 LYS HD3 H 1.81 . .
1120 . 95 LYS CE C 42.17 . .
1121 . 95 LYS HE2 H 2.98 . .
1122 . 95 LYS HE3 H 2.98 . .
1123 . 96 LYS H H 8.32 . .
1124 . 96 LYS N N 122.18 . .
1125 . 96 LYS CA C 56.46 . .
1126 . 96 LYS HA H 4.31 . .
1127 . 96 LYS C C 175.92 . .
1128 . 96 LYS CB C 33.17 . .
1129 . 96 LYS HB2 H 1.4 . .
1130 . 96 LYS HB3 H 1.4 . .
1131 . 96 LYS CG C 24.64 . .
1132 . 96 LYS HG2 H 1.67 . .
1133 . 96 LYS HG3 H 1.67 . .
1134 . 96 LYS CD C 29.02 . .
1135 . 96 LYS HD2 H 1.80 . .
1136 . 96 LYS HD3 H 1.80 . .
1137 . 96 LYS CE C 42.23 . .
1138 . 96 LYS HE2 H 2.99 . .
1139 . 96 LYS HE3 H 2.99 . .
1140 . 97 ASP H H 8.27 . .
1141 . 97 ASP N N 121.57 . .
1142 . 97 ASP CA C 54.18 . .
1143 . 97 ASP HA H 4.57 . .
1144 . 97 ASP C C 176.0 . .
1145 . 97 ASP CB C 41.4 . .
1146 . 97 ASP HB2 H 2.63 . .
1147 . 97 ASP HB3 H 2.69 . .
1148 . 98 ALA H H 8.24 . .
1149 . 98 ALA N N 124.99 . .
1150 . 98 ALA CA C 52.79 . .
1151 . 98 ALA HA H 4.29 . .
1152 . 98 ALA C C 177.8 . .
1153 . 98 ALA CB C 19.23 . .
1154 . 98 ALA HB H 1.4 . .
1155 . 99 ARG H H 8.25 . .
1156 . 99 ARG N N 119.46 . .
1157 . 99 ARG CA C 56.53 . .
1158 . 99 ARG HA H 4.27 . .
1159 . 99 ARG C C 176.21 . .
1160 . 99 ARG CB C 30.64 . .
1161 . 99 ARG HB2 H 1.63 . .
1162 . 99 ARG HB3 H 1.63 . .
1163 . 99 ARG CG C 27.25 . .
1164 . 99 ARG HG2 H 1.82 . .
1165 . 99 ARG HG3 H 1.82 . .
1166 . 99 ARG CD C 43.36 . .
1167 . 99 ARG HD2 H 3.19 . .
1168 . 99 ARG HD3 H 3.19 . .
1169 . 101 GLN H H 8.28 . .
1170 . 101 GLN N N 121.15 . .
1171 . 101 GLN CA C 55.79 . .
1172 . 101 GLN HA H 4.37 . .
1173 . 101 GLN C C 174.96 . .
1174 . 101 GLN CB C 29.49 . .
1175 . 101 GLN HB2 H 2.73 . .
1176 . 101 GLN HB3 H 2.81 . .
1177 . 101 GLN CG C 33.86 . .
1178 . 101 GLN HG2 H 2.81 . .
1179 . 102 VAL H H 7.74 . .
1180 . 102 VAL N N 125.66 . .
1181 . 102 VAL CA C 63.58 . .
1182 . 102 VAL HA H 4.19 . .
1183 . 102 VAL C C 180.89 . .
1184 . 102 VAL CB C 33.12 . .
1185 . 102 VAL HB H 2.11 . .
1186 . 102 VAL CG1 C 20.93 . .
1187 . 102 VAL HG1 H 0.94 . .
1188 . 102 VAL CG2 C 20.93 . .
1189 . 102 VAL HG2 H 0.94 . .
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