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Explanation of BMRB-STAR format supported by PREDITOR: Important: Preditor webserver does not support NMR-STAR 3.1 format. You must submit BMRB files in NMR-STAR 2.1 format. If you have a file in NMR-STAR 3.1 format, you may try to convert it to NMR-STAR 2.1 format using this online tool. Elements of BMRB-STAR format that should be in PREDITOR input: loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 ASN 5 SER 6 TYR 7 GLY 8 ASP 9 LEU 10 GLY 11 GLY 12 PRO 13 ILE 14 ILE stop_ 2) Chemical shift assignment with adjacent tags: _Chem_shift_ambiguity_code 1 2 SER HB2 H 3.88 . 1 2 2 SER HB3 H 3.88 . 1 3 2 SER HA H 4.85 . 1 4 2 SER CA C 56.24 . 1 5 2 SER CB C 63.00 . 1 6 3 PRO HA H 4.43 . 1 7 3 PRO HB3 H 2.28 . 1 stop_ Below is an example of BMRB-formatted assignment of N-terminal J Domain of Murine Polyomavirus T Antigens (you can also find an example of this file here):
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N Resonance Assignment and Secondary Structure of the J Domain of
Murine Polyomavirus T Antigens
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Berjanskii Mark V .
2 Riley Michael I .
3 Xie Anyong . .
4 Semenchenko Valentyna . .
4 Folk William R .
5 "Van Doren" Steven R .
stop_
_BMRB_accession_number 4403
_BMRB_flat_file_name bmr4403.str
_Entry_type new
_Submission_date 1999-09-13
_Accession_date 1999-09-14
_Entry_origination author
_NMR_STAR_version 2.1
_Experimental_method NMR
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
'1H chemical shifts' 484
'13C chemical shifts' 366
'15N chemical shifts' 81
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Berjanskii, M. V., Riley, M. I., Xie, A., Semenchenko, V., Folk, W. R., and
Van Doren, S. R., "NMR Structure of the N-terminal J Domain of Murine
Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations
of T Antigens", J. Biol. Chem. 275, 36094-36103 (2000).
;
_Citation_title
;
NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens:
Implications for DnaJ-like Domains and for Mutations of T Antigens
;
_Citation_status published
_Citation_type journal
_MEDLINE_UI_code .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Berjanskii Mark V. .
2 Riley Michael I. .
3 Xie Anyong . .
4 Semenchenko Valentyna . .
4 Folk William R. .
5 "Van Doren" Steven R. .
stop_
_Journal_abbreviation "J. Biol. Chem."
_Journal_name_full ?
_Journal_volume 275
_Page_first 36094
_Page_last 36103
_Year 2000
loop_
_Keyword
"J domain"
"NMR assignments"
polyomavirus
"tumor antigen"
DnaJ
stop_
save_
##################################
# Molecular system description #
##################################
save_system_Py_J
_Saveframe_category molecular_system
_Mol_system_name "Polyomavirus J domain"
_Abbreviation_common "Py J"
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Py J' $Py_J
stop_
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
;
J chaperone, supports Py DNA replication and transformation by the tumor antigens.
Stimulates the ATPase activity of hsp70 class chaperones in vitro.
;
stop_
save_
########################
# Monomeric polymers #
########################
save_Py_J
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common "Polyomavirus J domain"
_Name_variant "Py J domain"
_Abbreviation_common "Py J"
_Molecular_mass 9985
_Mol_thiol_state "not present"
_Details
;
Contains exonI shared by the tumor antigens plus six histidines for purification.
Has limited homology to J chaperones, including the highly conserved HPD motif.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 85
_Mol_residue_sequence
;
MDRVLSRADKERLLELLKLP
RQLWGDFGRMQQAYKQQSLL
LHPDKGGSHALMQELNSLWG
TFKTEVYNLRMNLGGTGFQH
HHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASP 3 ARG 4 VAL 5 LEU
6 SER 7 ARG 8 ALA 9 ASP 10 LYS
11 GLU 12 ARG 13 LEU 14 LEU 15 GLU
16 LEU 17 LEU 18 LYS 19 LEU 20 PRO
21 ARG 22 GLN 23 LEU 24 TRP 25 GLY
26 ASP 27 PHE 28 GLY 29 ARG 30 MET
31 GLN 32 GLN 33 ALA 34 TYR 35 LYS
36 GLN 37 GLN 38 SER 39 LEU 40 LEU
41 LEU 42 HIS 43 PRO 44 ASP 45 LYS
46 GLY 47 GLY 48 SER 49 HIS 50 ALA
51 LEU 52 MET 53 GLN 54 GLU 55 LEU
56 ASN 57 SER 58 LEU 59 TRP 60 GLY
61 THR 62 PHE 63 LYS 64 THR 65 GLU
66 VAL 67 TYR 68 ASN 69 LEU 70 ARG
71 MET 72 ASN 73 LEU 74 GLY 75 GLY
76 THR 77 GLY 78 PHE 79 GLN 80 HIS
81 HIS 82 HIS 83 HIS 84 HIS 85 HIS
stop_
_Sequence_homology_query_date 2004-07-17
_Sequence_homology_query_revised_last_date 2004-04-29
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1FAF "A Chain A, Nmr Structure Of The N-Terminal JDomain Of Murine Polyomavirus T Antigens" 107.59 79 100 100 4e-40
EMBL CAA42510.1 "large T antigen [Mus musculus]" 10.87 782 100 100 4e-40
GenBank AAA46872.1 "large t-antigen [Murine polyomavirusstrain A3]" 10.87 782 100 100 4e-40
GenBank AAA93241.1 "large t antigen" 10.87 782 100 100 4e-40
GenBank AAA93245.1 "large t antigen" 10.87 782 100 100 4e-40
GenBank AAL35609.1 "large T antigen [Murine polyomavirusstrain BG]" 10.87 782 100 100 4e-40
GenBank AAB59901.1 "large t-antigen [Murine polyomavirusstrain A2]" 10.83 785 100 100 4e-40
PIR TVVPCP "large T antigen - mouse polyomavirus (strainCrawford small-plaque)" 10.94 777 99 100 3e-40
PIR S22560 "large T antigen - mouse plasmid L factor" 10.87 782 100 100 4e-40
PIR TVVPT "large T antigen - mouse polyomavirus" 10.83 785 100 100 4e-40
REF NP_041264.1 "large t-antigen [Murine polyomavirus]" 10.83 785 100 100 4e-40
SWISS-PROT P12905 "TALA_POVMC Large T antigen" 10.94 777 99 100 3e-40
SWISS-PROT P03074 "TALA_POVM3 Large T antigen" 10.87 782 100 100 4e-40
SWISS-PROT P03073 "TALA_POVMA Large T antigen" 10.83 785 100 100 4e-40
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
_Details
$Py_J Polyomavirus 10624 Virus . Polyomavirus . A3 .
;
tiny T antigen; Synthesized by PCR, substituting codons found frequently
in highly expressed E. coli proteins.
;
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
_Details
$Py_J 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET15b
;
Typically purified ~5mg/liter medium
;
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$Py_J . mM 0.5 1.5 "[95% 13C; 95% 15N]"
'sodium phosphate' 10 mM . . .
KCl 10 mM . . .
glycine 100 mM . . .
stop_
save_
############################
# Computer software used #
############################
save_Sybyl_Triad
_Saveframe_category software
_Name "Sybyl Triad"
_Version 6.3
loop_
_Task
"spectra processing and viewing"
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
save_
#############################
# NMR applied experiments #
#############################
save_NMR_applied_experiment
_Saveframe_category NMR_applied_experiment
_Details
;
HNCA
HN(CO)CA
HN(CA)HA
HA(CACO)NH
CBCA(CO)NH
(H)CCA(CO)NH
HACACO
HCCH-COSY
HCCH-TOCSY, 15N-separated
NOESY-HSQC, 13N-separated
FSCT-HSMQC-NOESY
;
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_set_1
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH* 6 0.2 n/a
temperature 303 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shifts_reference_set_1
_Saveframe_category chemical_shift_reference
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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# Index Value Definition #
# #
# 1 Unique #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups #
# 3 Aromatic atoms on opposite sides of the ring #
# (e.g. Tyr HE1 and HE2 protons) #
# 4 Intraresidue ambiguities (e.g. Lys HG and #
# HD protons) #
# 5 Interresidue ambiguities (Lys 12 vs. Lys 27) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_set_1
_Saveframe_category assigned_chemical_shifts
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_set_1
_Chem_shift_reference_set_label $chemical_shifts_reference_set_1
_Mol_system_component_name 'Py J'
loop_
_Atom_shift_assign_ID
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 MET HA H 4.05 . 1
2 1 MET HB2 H 2.10 . 1
3 1 MET HB3 H 2.10 . 1
4 1 MET HG2 H 2.55 . 1
5 1 MET HG3 H 2.55 . 1
6 1 MET C C 172.19 . 1
7 1 MET CA C 54.98 . 1
8 1 MET CB C 32.90 . 1
9 1 MET CG C 30.85 . 1
10 2 ASP HA H 4.64 . 1
11 2 ASP HB2 H 2.66 . 2
12 2 ASP HB3 H 2.51 . 2
13 2 ASP C C 175.15 . 1
14 2 ASP CA C 54.49 . 1
15 2 ASP CB C 41.46 . 1
16 3 ARG H H 8.36 . 1
17 3 ARG HA H 4.33 . 1
18 3 ARG HB2 H 1.76 . 1
19 3 ARG HB3 H 1.76 . 1
20 3 ARG HG2 H 1.57 . 1
21 3 ARG HG3 H 1.57 . 1
22 3 ARG HD2 H 3.15 . 1
23 3 ARG HD3 H 3.15 . 1
24 3 ARG C C 174.87 . 1
25 3 ARG CA C 56.04 . 1
26 3 ARG CB C 31.06 . 1
27 3 ARG CG C 27.11 . 1
28 3 ARG CD C 43.28 . 1
29 3 ARG N N 121.47 . 1
30 4 VAL H H 7.99 . 1
31 4 VAL HA H 4.31 . 1
32 4 VAL HB H 2.05 . 1
33 4 VAL HG1 H 0.76 . 2
34 4 VAL HG2 H 0.82 . 2
35 4 VAL C C 176.13 . 1
36 4 VAL CA C 60.17 . 1
37 4 VAL CB C 34.39 . 1
38 4 VAL CG1 C 19.40 . 2
39 4 VAL CG2 C 21.52 . 2
40 4 VAL N N 118.27 . 1
41 5 LEU H H 9.13 . 1
42 5 LEU HA H 4.56 . 1
43 5 LEU HB2 H 1.88 . 2
44 5 LEU HB3 H 1.53 . 2
45 5 LEU HG H 1.89 . 1
46 5 LEU HD1 H 1.02 . 2
47 5 LEU HD2 H 1.16 . 2
48 5 LEU C C 177.35 . 1
49 5 LEU CA C 54.99 . 1
50 5 LEU CB C 42.63 . 1
51 5 LEU CG C 26.97 . 1
52 5 LEU CD1 C 24.25 . 2
53 5 LEU CD2 C 26.81 . 2
54 5 LEU N N 124.83 . 1
55 6 SER H H 9.37 . 1
56 6 SER HA H 4.51 . 1
57 6 SER HB2 H 4.01 . 2
58 6 SER HB3 H 4.29 . 2
59 6 SER C C 174.50 . 1
60 6 SER CA C 56.99 . 1
61 6 SER CB C 65.31 . 1
62 6 SER N N 121.56 . 1
63 7 ARG H H 8.79 . 1
64 7 ARG HA H 3.78 . 1
65 7 ARG HB2 H 1.86 . 2
66 7 ARG HB3 H 1.77 . 2
67 7 ARG HG2 H 1.61 . 2
68 7 ARG HG3 H 1.51 . 2
69 7 ARG HD2 H 3.11 . 1
70 7 ARG HD3 H 3.11 . 1
71 7 ARG C C 178.15 . 1
72 7 ARG CA C 60.15 . 1
73 7 ARG CB C 29.48 . 1
74 7 ARG CG C 26.95 . 1
75 7 ARG CD C 43.07 . 1
76 7 ARG N N 121.58 . 1
77 8 ALA H H 8.25 . 1
78 8 ALA HA H 4.02 . 1
79 8 ALA HB H 1.32 . 1
80 8 ALA C C 180.31 . 1
81 8 ALA CA C 54.84 . 1
82 8 ALA CB C 18.08 . 1
83 8 ALA N N 120.69 . 1
84 9 ASP H H 7.88 . 1
85 9 ASP HA H 4.44 . 1
86 9 ASP HB2 H 2.98 . 2
87 9 ASP HB3 H 2.65 . 2
88 9 ASP C C 177.75 . 1
89 9 ASP CA C 56.92 . 1
90 9 ASP CB C 41.66 . 1
91 9 ASP N N 120.40 . 1
92 10 LYS H H 8.03 . 1
93 10 LYS HA H 3.66 . 1
94 10 LYS HB2 H 1.45 . 2
95 10 LYS HB3 H 1.02 . 2
96 10 LYS HG2 H 0.71 . 2
97 10 LYS HG3 H 0.59 . 2
98 10 LYS HD2 H 0.91 . 1
99 10 LYS HD3 H 0.91 . 1
100 10 LYS HE2 H 2.44 . 2
101 10 LYS HE3 H 2.04 . 2
102 10 LYS C C 177.70 . 1
103 10 LYS CA C 60.05 . 1
104 10 LYS CB C 32.02 . 1
105 10 LYS CG C 25.66 . 1
106 10 LYS CD C 29.55 . 1
107 10 LYS CE C 41.55 . 1
108 10 LYS N N 120.36 . 1
109 11 GLU H H 7.65 . 1
110 11 GLU HA H 3.79 . 1
111 11 GLU HB2 H 1.99 . 1
112 11 GLU HB3 H 1.99 . 1
113 11 GLU HG2 H 2.33 . 2
114 11 GLU HG3 H 2.16 . 2
115 11 GLU C C 179.24 . 1
116 11 GLU CA C 58.96 . 1
117 11 GLU CB C 29.19 . 1
118 11 GLU CG C 36.25 . 1
119 11 GLU N N 116.45 . 1
120 12 ARG H H 8.15 . 1
121 12 ARG HA H 4.16 . 1
122 12 ARG HB2 H 2.25 . 2
123 12 ARG HB3 H 1.95 . 2
124 12 ARG HG2 H 1.39 . 2
125 12 ARG HG3 H 1.87 . 2
126 12 ARG HD2 H 3.47 . 2
127 12 ARG HD3 H 2.92 . 2
128 12 ARG HE H 8.17 . 1
129 12 ARG C C 177.47 . 1
130 12 ARG CA C 57.23 . 1
131 12 ARG CB C 29.44 . 1
132 12 ARG CG C 25.98 . 1
133 12 ARG CD C 42.96 . 1
134 12 ARG N N 120.59 . 1
135 12 ARG NE N 96.16 . 1
136 13 LEU H H 8.73 . 1
137 13 LEU HA H 4.13 . 1
138 13 LEU HB2 H 1.68 . 2
139 13 LEU HB3 H 2.28 . 2
140 13 LEU HG H 1.58 . 1
141 13 LEU HD1 H 1.14 . 2
142 13 LEU HD2 H 0.89 . 2
143 13 LEU C C 178.02 . 5
144 13 LEU CA C 58.32 . 1
145 13 LEU CB C 40.69 . 1
146 13 LEU CG C 27.38 . 1
147 13 LEU CD1 C 23.06 . 2
148 13 LEU CD2 C 26.19 . 2
149 13 LEU N N 120.80 . 1
150 14 LEU H H 8.13 . 1
151 14 LEU HA H 3.90 . 1
152 14 LEU HB2 H 1.92 . 2
153 14 LEU HB3 H 1.67 . 2
154 14 LEU HG H 1.60 . 1
155 14 LEU HD1 H 0.92 . 2
156 14 LEU HD2 H 0.89 . 2
157 14 LEU C C 178.60 . 1
158 14 LEU CA C 58.96 . 1
159 14 LEU CB C 41.23 . 1
160 14 LEU CG C 27.38 . 1
161 14 LEU CD1 C 23.71 . 2
162 14 LEU CD2 C 26.63 . 2
163 14 LEU N N 117.76 . 1
164 15 GLU H H 7.95 . 1
165 15 GLU HA H 4.03 . 1
166 15 GLU HB2 H 2.18 . 2
167 15 GLU HB3 H 2.29 . 2
168 15 GLU HG2 H 2.09 . 2
169 15 GLU HG3 H 2.31 . 2
170 15 GLU C C 178.58 . 1
171 15 GLU CA C 59.29 . 1
172 15 GLU CB C 29.66 . 1
173 15 GLU CG C 35.93 . 1
174 15 GLU N N 119.01 . 1
175 16 LEU H H 8.54 . 1
176 16 LEU HA H 4.07 . 1
177 16 LEU HB2 H 1.99 . 2
178 16 LEU HB3 H 1.33 . 2
179 16 LEU HG H 1.70 . 1
180 16 LEU HD1 H 0.74 . 2
181 16 LEU HD2 H 0.81 . 2
182 16 LEU C C 178.20 . 1
183 16 LEU CA C 57.34 . 1
184 16 LEU CB C 43.61 . 1
185 16 LEU CG C 27.28 . 1
186 16 LEU CD1 C 26.41 . 2
187 16 LEU CD2 C 22.26 . 2
188 16 LEU N N 120.61 . 1
189 17 LEU H H 8.16 . 1
190 17 LEU HA H 3.91 . 1
191 17 LEU HB2 H 1.78 . 2
192 17 LEU HB3 H 1.40 . 2
193 17 LEU HG H 2.03 . 1
194 17 LEU HD1 H 0.74 . 2
195 17 LEU HD2 H 0.64 . 2
196 17 LEU C C 174.60 . 1
197 17 LEU CA C 55.18 . 1
198 17 LEU CB C 41.98 . 1
199 17 LEU CG C 25.76 . 1
200 17 LEU CD1 C 26.84 . 2
201 17 LEU CD2 C 21.54 . 2
202 17 LEU N N 114.81 . 1
203 18 LYS H H 7.74 . 1
204 18 LYS HA H 3.78 . 1
205 18 LYS HB2 H 1.93 . 2
206 18 LYS HB3 H 1.79 . 2
207 18 LYS HG2 H 1.26 . 1
208 18 LYS HG3 H 1.26 . 1
209 18 LYS HD2 H 1.63 . 2
210 18 LYS HD3 H 1.54 . 2
211 18 LYS HE2 H 2.96 . 1
212 18 LYS HE3 H 2.96 . 1
213 18 LYS C C 175.50 . 1
214 18 LYS CA C 56.48 . 1
215 18 LYS CB C 29.22 . 1
216 18 LYS CG C 25.01 . 1
217 18 LYS CD C 29.24 . 1
218 18 LYS CE C 42.47 . 1
219 18 LYS N N 114.35 . 1
220 19 LEU H H 7.54 . 1
221 19 LEU HA H 4.84 . 1
222 19 LEU HB2 H 1.45 . 2
223 19 LEU HB3 H 1.34 . 2
224 19 LEU HG H 1.60 . 1
225 19 LEU HD1 H 0.79 . 2
226 19 LEU HD2 H 0.72 . 2
227 19 LEU C C 174.15 . 1
228 19 LEU CA C 51.12 . 1
229 19 LEU CB C 45.12 . 1
230 19 LEU CG C 25.65 . 1
231 19 LEU CD1 C 23.92 . 2
232 19 LEU CD2 C 26.73 . 2
233 19 LEU N N 118.33 . 1
234 20 PRO HA H 4.52 . 1
235 20 PRO HB2 H 2.02 . 2
236 20 PRO HB3 H 2.34 . 2
237 20 PRO HG2 H 1.94 . 2
238 20 PRO HG3 H 2.05 . 2
239 20 PRO HD2 H 3.88 . 2
240 20 PRO HD3 H 3.51 . 2
241 20 PRO C C 177.69 . 1
242 20 PRO CA C 62.04 . 1
243 20 PRO CB C 32.38 . 1
244 20 PRO CG C 27.38 . 1
245 20 PRO CD C 50.66 . 1
246 21 ARG H H 8.52 . 1
247 21 ARG HA H 3.91 . 1
248 21 ARG HB2 H 1.79 . 1
249 21 ARG HB3 H 1.79 . 1
250 21 ARG HG2 H 1.60 . 1
251 21 ARG HG3 H 1.60 . 1
252 21 ARG HD2 H 3.14 . 1
253 21 ARG HD3 H 3.14 . 1
254 21 ARG C C 178.38 . 1
255 21 ARG CA C 59.35 . 1
256 21 ARG CB C 29.88 . 1
257 21 ARG CG C 27.30 . 1
258 21 ARG CD C 42.96 . 1
259 21 ARG N N 120.67 . 1
260 22 GLN H H 8.89 . 1
261 22 GLN HA H 4.22 . 1
262 22 GLN HB2 H 2.09 . 1
263 22 GLN HB3 H 2.09 . 1
264 22 GLN HG2 H 2.46 . 2
265 22 GLN HG3 H 2.38 . 2
266 22 GLN C C 176.38 . 1
267 22 GLN CA C 58.18 . 1
268 22 GLN CB C 27.72 . 1
269 22 GLN CG C 33.66 . 1
270 22 GLN N N 117.34 . 1
271 23 LEU H H 7.87 . 1
272 23 LEU HA H 4.44 . 1
273 23 LEU HB2 H 1.70 . 1
274 23 LEU HB3 H 1.70 . 1
275 23 LEU HG H 1.58 . 1
276 23 LEU HD1 H 0.90 . 2
277 23 LEU HD2 H 0.86 . 2
278 23 LEU C C 175.72 . 1
279 23 LEU CA C 54.21 . 1
280 23 LEU CB C 41.75 . 1
281 23 LEU CG C 27.69 . 1
282 23 LEU CD1 C 26.01 . 2
283 23 LEU CD2 C 23.18 . 2
284 23 LEU N N 118.99 . 1
285 24 TRP H H 7.63 . 1
286 24 TRP HA H 4.04 . 1
287 24 TRP HB2 H 3.33 . 2
288 24 TRP HB3 H 3.17 . 2
289 24 TRP HD1 H 7.11 . 1
290 24 TRP HE1 H 10.42 . 1
291 24 TRP HE3 H 7.30 . 1
292 24 TRP HZ2 H 7.57 . 1
293 24 TRP HZ3 H 6.77 . 1
294 24 TRP HH2 H 6.91 . 1
295 24 TRP C C 176.91 . 1
296 24 TRP CA C 59.51 . 1
297 24 TRP CB C 29.11 . 1
298 24 TRP CD1 C 127.94 . 1
299 24 TRP CE3 C 119.77 . 1
300 24 TRP CZ2 C 115.01 . 1
301 24 TRP CZ3 C 121.70 . 1
302 24 TRP CH2 C 124.07 . 1
303 24 TRP N N 118.70 . 1
304 24 TRP NE1 N 130.64 . 1
305 25 GLY H H 6.67 . 1
306 25 GLY HA2 H 4.09 . 2
307 25 GLY HA3 H 3.02 . 2
308 25 GLY C C 172.80 . 1
309 25 GLY CA C 44.47 . 1
310 25 GLY N N 113.87 . 1
311 26 ASP H H 7.78 . 1
312 26 ASP HA H 4.69 . 1
313 26 ASP HB2 H 3.15 . 2
314 26 ASP HB3 H 2.30 . 2
315 26 ASP C C 175.09 . 1
316 26 ASP CA C 52.58 . 1
317 26 ASP CB C 39.50 . 1
318 26 ASP N N 121.71 . 1
319 27 PHE H H 8.48 . 1
320 27 PHE HA H 3.99 . 1
321 27 PHE HB2 H 3.15 . 2
322 27 PHE HB3 H 3.08 . 2
323 27 PHE HD1 H 7.18 . 1
324 27 PHE HD2 H 7.18 . 1
325 27 PHE HE1 H 7.09 . 1
326 27 PHE HE2 H 7.09 . 1
327 27 PHE HZ H 7.16 . 1
328 27 PHE C C 177.02 . 1
329 27 PHE CA C 62.77 . 1
330 27 PHE CB C 39.67 . 1
331 27 PHE CD1 C 131.40 . 1
332 27 PHE CD2 C 131.40 . 1
333 27 PHE CE1 C 131.73 . 1
334 27 PHE CE2 C 131.73 . 1
335 27 PHE CZ C 129.67 . 1
336 27 PHE N N 127.56 . 1
337 28 GLY H H 8.83 . 1
338 28 GLY HA2 H 4.03 . 2
339 28 GLY HA3 H 3.82 . 2
340 28 GLY C C 177.26 . 1
341 28 GLY CA C 47.28 . 1
342 28 GLY N N 105.40 . 1
343 29 ARG H H 7.99 . 1
344 29 ARG HA H 4.15 . 1
345 29 ARG HB2 H 1.73 . 1
346 29 ARG HB3 H 1.73 . 1
347 29 ARG HG2 H 1.69 . 1
348 29 ARG HG3 H 1.69 . 1
349 29 ARG HD2 H 3.19 . 1
350 29 ARG HD3 H 3.19 . 1
351 29 ARG C C 180.12 . 1
352 29 ARG CA C 57.76 . 1
353 29 ARG CB C 29.44 . 1
354 29 ARG CG C 27.71 . 1
355 29 ARG CD C 41.94 . 1
356 29 ARG N N 121.37 . 1
357 30 MET H H 8.79 . 1
358 30 MET HA H 3.77 . 1
359 30 MET HB2 H 2.02 . 1
360 30 MET HB3 H 2.02 . 1
361 30 MET HG2 H 2.76 . 2
362 30 MET HG3 H 1.88 . 2
363 30 MET C C 176.38 . 1
364 30 MET CA C 60.05 . 1
365 30 MET CB C 33.55 . 1
366 30 MET CG C 32.58 . 1
367 30 MET CE C 16.46 . 1
368 30 MET N N 120.62 . 1
369 31 GLN H H 8.99 . 1
370 31 GLN HA H 3.63 . 1
371 31 GLN HB2 H 1.89 . 2
372 31 GLN HB3 H 2.08 . 2
373 31 GLN HG2 H 2.35 . 2
374 31 GLN HG3 H 2.30 . 2
375 31 GLN C C 177.91 . 1
376 31 GLN CA C 59.14 . 1
377 31 GLN CB C 28.82 . 1
378 31 GLN CG C 34.86 . 1
379 31 GLN N N 119.19 . 1
380 32 GLN H H 7.67 . 1
381 32 GLN HA H 3.97 . 1
382 32 GLN HB2 H 2.14 . 2
383 32 GLN HB3 H 2.10 . 2
384 32 GLN HG2 H 2.46 . 2
385 32 GLN HG3 H 2.36 . 2
386 32 GLN C C 178.04 . 5
387 32 GLN CA C 58.75 . 1
388 32 GLN CB C 28.47 . 1
389 32 GLN CG C 33.66 . 1
390 32 GLN N N 119.44 . 1
391 33 ALA H H 7.65 . 1
392 33 ALA HA H 4.21 . 1
393 33 ALA HB H 1.62 . 1
394 33 ALA C C 178.67 . 1
395 33 ALA CA C 54.75 . 1
396 33 ALA CB C 18.95 . 1
397 33 ALA N N 122.29 . 1
398 34 TYR H H 8.49 . 1
399 34 TYR HA H 3.41 . 1
400 34 TYR HB2 H 1.66 . 2
401 34 TYR HB3 H 2.14 . 2
402 34 TYR HD1 H 6.26 . 1
403 34 TYR HD2 H 6.26 . 1
404 34 TYR HE1 H 6.55 . 1
405 34 TYR HE2 H 6.55 . 1
406 34 TYR C C 177.74 . 1
407 34 TYR CA C 61.56 . 1
408 34 TYR CB C 36.79 . 1
409 34 TYR CD1 C 131.67 . 1
410 34 TYR CD2 C 131.67 . 1
411 34 TYR CE1 C 117.26 . 1
412 34 TYR CE2 C 117.26 . 1
413 34 TYR N N 121.25 . 1
414 35 LYS H H 8.09 . 1
415 35 LYS HA H 3.41 . 1
416 35 LYS HB2 H 1.82 . 1
417 35 LYS HB3 H 1.82 . 1
418 35 LYS HG2 H 1.37 . 2
419 35 LYS HG3 H 1.57 . 2
420 35 LYS HD2 H 1.63 . 1
421 35 LYS HD3 H 1.63 . 1
422 35 LYS HE2 H 2.91 . 1
423 35 LYS HE3 H 2.91 . 1
424 35 LYS C C 178.49 . 1
425 35 LYS CA C 59.51 . 1
426 35 LYS CB C 31.82 . 1
427 35 LYS CG C 25.33 . 1
428 35 LYS CD C 29.21 . 1
429 35 LYS CE C 41.96 . 1
430 35 LYS N N 121.36 . 1
431 36 GLN H H 7.69 . 1
432 36 GLN HA H 3.99 . 1
433 36 GLN HB2 H 2.03 . 2
434 36 GLN HB3 H 2.14 . 2
435 36 GLN HG2 H 2.37 . 2
436 36 GLN HG3 H 2.42 . 2
437 36 GLN C C 178.94 . 5
438 36 GLN CA C 58.62 . 1
439 36 GLN CB C 28.60 . 1
440 36 GLN CG C 33.66 . 1
441 36 GLN N N 117.07 . 1
442 37 GLN H H 8.89 . 1
443 37 GLN HA H 3.98 . 1
444 37 GLN HB2 H 1.67 . 2
445 37 GLN HB3 H 2.06 . 2
446 37 GLN HG2 H 2.73 . 2
447 37 GLN HG3 H 2.50 . 2
448 37 GLN C C 177.99 . 1
449 37 GLN CA C 57.45 . 1
450 37 GLN CB C 27.86 . 1
451 37 GLN CG C 33.33 . 1
452 37 GLN N N 116.88 . 1
453 38 SER H H 8.13 . 1
454 38 SER HA H 3.77 . 1
455 38 SER HB2 H 3.55 . 2
456 38 SER HB3 H 3.25 . 2
457 38 SER C C 175.48 . 1
458 38 SER CA C 62.21 . 1
459 38 SER CB C 62.10 . 1
460 38 SER N N 114.22 . 1
461 39 LEU H H 6.73 . 1
462 39 LEU HA H 4.08 . 1
463 39 LEU HB2 H 1.50 . 2
464 39 LEU HB3 H 1.70 . 2
465 39 LEU HG H 1.64 . 1
466 39 LEU HD1 H 0.77 . 2
467 39 LEU HD2 H 0.81 . 2
468 39 LEU C C 178.61 . 1
469 39 LEU CA C 57.02 . 1
470 39 LEU CB C 42.09 . 1
471 39 LEU CG C 26.55 . 1
472 39 LEU CD1 C 23.32 . 2
473 39 LEU CD2 C 24.89 . 2
474 39 LEU N N 119.57 . 1
475 40 LEU H H 7.17 . 1
476 40 LEU HA H 4.07 . 1
477 40 LEU HB2 H 1.50 . 2
478 40 LEU HB3 H 1.70 . 2
479 40 LEU HG H 1.68 . 1
480 40 LEU HD1 H 0.81 . 2
481 40 LEU HD2 H 0.83 . 2
482 40 LEU C C 177.77 . 1
483 40 LEU CA C 56.33 . 1
484 40 LEU CB C 42.03 . 1
485 40 LEU CG C 26.62 . 1
486 40 LEU CD1 C 22.41 . 2
487 40 LEU CD2 C 25.11 . 2
488 40 LEU N N 117.57 . 1
489 41 LEU H H 7.81 . 1
490 41 LEU HA H 4.20 . 1
491 41 LEU HB2 H 1.46 . 2
492 41 LEU HB3 H 1.67 . 2
493 41 LEU HG H 1.78 . 1
494 41 LEU HD1 H 0.77 . 2
495 41 LEU HD2 H 0.82 . 2
496 41 LEU C C 175.64 . 1
497 41 LEU CA C 54.64 . 1
498 41 LEU CB C 42.09 . 1
499 41 LEU CG C 26.82 . 1
500 41 LEU CD1 C 25.87 . 2
501 41 LEU CD2 C 22.63 . 2
502 41 LEU N N 116.96 . 1
503 42 HIS H H 7.21 . 1
504 42 HIS HA H 4.56 . 1
505 42 HIS HB2 H 3.06 . 2
506 42 HIS HB3 H 2.96 . 2
507 42 HIS HD2 H 6.98 . 3
508 42 HIS HE1 H 7.96 . 3
509 42 HIS C C 174.39 . 1
510 42 HIS CA C 55.70 . 1
511 42 HIS CB C 29.92 . 1
512 42 HIS CD2 C 119.68 . 1
513 42 HIS CE1 C 138.00 . 1
514 42 HIS N N 120.12 . 1
515 43 PRO HA H 4.09 . 1
516 43 PRO HB2 H 1.88 . 2
517 43 PRO HB3 H 2.09 . 2
518 43 PRO HG2 H 1.50 . 2
519 43 PRO HG3 H 1.68 . 2
520 43 PRO HD2 H 3.30 . 2
521 43 PRO HD3 H 2.73 . 2
522 43 PRO C C 178.03 . 1
523 43 PRO CA C 64.80 . 1
524 43 PRO CB C 31.79 . 1
525 43 PRO CG C 27.28 . 1
526 43 PRO CD C 50.53 . 1
527 44 ASP H H 10.54 . 1
528 44 ASP HA H 4.51 . 1
529 44 ASP HB2 H 2.72 . 1
530 44 ASP HB3 H 2.72 . 1
531 44 ASP C C 177.05 . 1
532 44 ASP CA C 55.83 . 1
533 44 ASP CB C 40.04 . 1
534 44 ASP N N 121.54 . 1
535 45 LYS H H 7.96 . 1
536 45 LYS HA H 4.48 . 1
537 45 LYS HB2 H 2.07 . 2
538 45 LYS HB3 H 1.84 . 2
539 45 LYS HG2 H 1.46 . 2
540 45 LYS HG3 H 1.31 . 2
541 45 LYS HD2 H 1.60 . 1
542 45 LYS HD3 H 1.60 . 1
543 45 LYS HE2 H 2.89 . 2
544 45 LYS HE3 H 2.84 . 2
545 45 LYS C C 176.63 . 1
546 45 LYS CA C 54.74 . 1
547 45 LYS CB C 32.56 . 1
548 45 LYS CG C 24.70 . 1
549 45 LYS CD C 28.40 . 1
550 45 LYS CE C 42.24 . 1
551 45 LYS N N 118.73 . 1
552 46 GLY H H 7.98 . 1
553 46 GLY HA2 H 3.81 . 2
554 46 GLY HA3 H 4.24 . 2
555 46 GLY C C 174.92 . 1
556 46 GLY CA C 45.23 . 1
557 46 GLY N N 108.26 . 1
558 47 GLY H H 7.80 . 1
559 47 GLY HA2 H 3.61 . 2
560 47 GLY HA3 H 4.17 . 2
561 47 GLY C C 173.40 . 1
562 47 GLY CA C 44.01 . 1
563 47 GLY N N 108.47 . 1
564 48 SER H H 8.08 . 1
565 48 SER HA H 4.58 . 1
566 48 SER HB2 H 4.06 . 2
567 48 SER HB3 H 3.85 . 2
568 48 SER C C 174.30 . 1
569 48 SER CA C 57.07 . 1
570 48 SER CB C 64.59 . 1
571 48 SER N N 115.14 . 1
572 49 HIS HA H 4.29 . 1
573 49 HIS HB2 H 3.13 . 1
574 49 HIS HB3 H 3.13 . 1
575 49 HIS C C 176.86 . 1
576 49 HIS CA C 59.56 . 1
577 49 HIS CB C 29.98 . 1
578 50 ALA H H 8.40 . 1
579 50 ALA HA H 4.08 . 1
580 50 ALA HB H 1.39 . 1
581 50 ALA C C 180.74 . 1
582 50 ALA CA C 55.18 . 1
583 50 ALA CB C 18.17 . 1
584 50 ALA N N 121.68 . 1
585 51 LEU H H 7.90 . 1
586 51 LEU HA H 4.25 . 1
587 51 LEU HB2 H 1.83 . 2
588 51 LEU HB3 H 1.51 . 2
589 51 LEU HG H 1.64 . 1
590 51 LEU HD1 H 0.92 . 2
591 51 LEU HD2 H 0.87 . 2
592 51 LEU C C 178.26 . 1
593 51 LEU CA C 57.56 . 1
594 51 LEU CB C 42.42 . 1
595 51 LEU CG C 27.38 . 1
596 51 LEU CD1 C 25.11 . 2
597 51 LEU CD2 C 23.49 . 2
598 51 LEU N N 120.23 . 1
599 52 MET H H 7.98 . 1
600 52 MET HA H 4.03 . 1
601 52 MET HB2 H 2.06 . 2
602 52 MET HB3 H 2.14 . 2
603 52 MET HG2 H 2.48 . 1
604 52 MET HG3 H 2.48 . 1
605 52 MET HE H 2.02 . 1
606 52 MET C C 178.40 . 1
607 52 MET CA C 58.42 . 1
608 52 MET CB C 32.90 . 1
609 52 MET CG C 31.77 . 1
610 52 MET CE C 18.52 . 1
611 52 MET N N 118.53 . 1
612 53 GLN H H 8.22 . 1
613 53 GLN HA H 4.08 . 1
614 53 GLN HB2 H 2.09 . 1
615 53 GLN HB3 H 2.09 . 1
616 53 GLN HG2 H 2.31 . 2
617 53 GLN HG3 H 2.38 . 2
618 53 GLN C C 178.55 . 1
619 53 GLN CA C 58.72 . 1
620 53 GLN CB C 28.67 . 1
621 53 GLN CG C 33.89 . 1
622 53 GLN N N 117.52 . 1
623 54 GLU H H 8.04 . 1
624 54 GLU HA H 4.03 . 1
625 54 GLU HB2 H 2.07 . 2
626 54 GLU HB3 H 2.23 . 2
627 54 GLU HG2 H 2.31 . 2
628 54 GLU HG3 H 2.10 . 2
629 54 GLU C C 178.33 . 1
630 54 GLU CA C 59.66 . 1
631 54 GLU CB C 29.49 . 1
632 54 GLU CG C 35.87 . 1
633 54 GLU N N 123.30 . 1
634 55 LEU H H 8.58 . 1
635 55 LEU HA H 4.08 . 1
636 55 LEU HB2 H 2.09 . 2
637 55 LEU HB3 H 1.46 . 2
638 55 LEU HG H 1.69 . 1
639 55 LEU HD1 H 0.74 . 2
640 55 LEU HD2 H 0.99 . 2
641 55 LEU C C 177.93 . 1
642 55 LEU CA C 58.65 . 1
643 55 LEU CB C 40.75 . 1
644 55 LEU CG C 27.57 . 1
645 55 LEU CD1 C 26.07 . 2
646 55 LEU CD2 C 23.37 . 2
647 55 LEU N N 119.06 . 1
648 56 ASN H H 8.61 . 1
649 56 ASN HA H 4.71 . 1
650 56 ASN HB2 H 3.03 . 2
651 56 ASN HB3 H 2.89 . 2
652 56 ASN HD21 H 7.76 . 2
653 56 ASN HD22 H 7.14 . 2
654 56 ASN C C 179.07 . 1
655 56 ASN CA C 56.49 . 1
656 56 ASN CB C 37.86 . 1
657 56 ASN N N 116.05 . 1
658 56 ASN ND2 N 112.82 . 1
659 57 SER H H 8.47 . 1
660 57 SER HA H 4.33 . 1
661 57 SER HB2 H 4.08 . 1
662 57 SER HB3 H 4.08 . 1
663 57 SER C C 177.14 . 1
664 57 SER CA C 61.58 . 1
665 57 SER CB C 62.86 . 1
666 57 SER N N 117.93 . 1
667 58 LEU H H 8.45 . 1
668 58 LEU HA H 4.19 . 1
669 58 LEU HB2 H 1.47 . 2
670 58 LEU HB3 H 2.10 . 2
671 58 LEU HG H 2.01 . 1
672 58 LEU HD1 H 0.94 . 1
673 58 LEU HD2 H 0.94 . 1
674 58 LEU C C 178.65 . 1
675 58 LEU CA C 58.16 . 1
676 58 LEU CB C 44.73 . 1
677 58 LEU CG C 27.00 . 1
678 58 LEU CD1 C 26.63 . 2
679 58 LEU CD2 C 22.91 . 2
680 58 LEU N N 123.03 . 1
681 59 TRP H H 9.26 . 1
682 59 TRP HA H 4.50 . 1
683 59 TRP HB2 H 3.06 . 1
684 59 TRP HB3 H 3.06 . 1
685 59 TRP HD1 H 6.35 . 1
686 59 TRP HE1 H 9.64 . 1
687 59 TRP HE3 H 7.17 . 1
688 59 TRP HZ2 H 7.11 . 1
689 59 TRP HZ3 H 6.43 . 1
690 59 TRP HH2 H 6.32 . 1
691 59 TRP C C 177.22 . 1
692 59 TRP CA C 59.57 . 1
693 59 TRP CB C 30.74 . 1
694 59 TRP CD1 C 126.57 . 1
695 59 TRP CE3 C 119.11 . 1
696 59 TRP CZ2 C 113.45 . 1
697 59 TRP CZ3 C 121.24 . 1
698 59 TRP CH2 C 122.28 . 1
699 59 TRP N N 119.89 . 1
700 59 TRP NE1 N 128.98 . 1
701 60 GLY H H 8.23 . 1
702 60 GLY HA2 H 3.50 . 2
703 60 GLY HA3 H 3.95 . 2
704 60 GLY C C 176.66 . 1
705 60 GLY CA C 47.20 . 1
706 60 GLY N N 104.04 . 1
707 61 THR H H 7.88 . 1
708 61 THR HA H 3.94 . 1
709 61 THR HB H 4.24 . 1
710 61 THR HG2 H 1.14 . 1
711 61 THR C C 175.80 . 1
712 61 THR CA C 66.62 . 1
713 61 THR CB C 68.28 . 1
714 61 THR CG2 C 22.65 . 1
715 61 THR N N 119.65 . 1
716 62 PHE H H 8.44 . 1
717 62 PHE HA H 4.07 . 1
718 62 PHE HB2 H 3.02 . 2
719 62 PHE HB3 H 2.94 . 2
720 62 PHE HD1 H 6.57 . 1
721 62 PHE HD2 H 6.57 . 1
722 62 PHE HE1 H 6.69 . 1
723 62 PHE HE2 H 6.69 . 1
724 62 PHE HZ H 6.71 . 1
725 62 PHE C C 175.88 . 1
726 62 PHE CA C 61.52 . 1
727 62 PHE CB C 38.93 . 1
728 62 PHE CD1 C 131.47 . 1
729 62 PHE CD2 C 131.47 . 1
730 62 PHE CE1 C 130.92 . 1
731 62 PHE CE2 C 130.92 . 1
732 62 PHE CZ C 129.57 . 1
733 62 PHE N N 123.78 . 1
734 63 LYS H H 8.39 . 1
735 63 LYS HA H 3.12 . 1
736 63 LYS HB2 H 1.35 . 2
737 63 LYS HB3 H 1.27 . 2
738 63 LYS HG2 H 0.85 . 1
739 63 LYS HG3 H 0.85 . 1
740 63 LYS HD2 H 1.49 . 1
741 63 LYS HD3 H 1.49 . 1
742 63 LYS HE2 H 2.80 . 2
743 63 LYS HE3 H 2.60 . 2
744 63 LYS C C 178.02 . 1
745 63 LYS CA C 59.96 . 1
746 63 LYS CB C 31.39 . 1
747 63 LYS CG C 24.86 . 1
748 63 LYS CD C 29.47 . 1
749 63 LYS CE C 41.32 . 1
750 63 LYS N N 117.46 . 1
751 64 THR H H 7.57 . 1
752 64 THR HA H 3.82 . 1
753 64 THR HB H 4.24 . 1
754 64 THR HG2 H 1.20 . 1
755 64 THR C C 175.31 . 1
756 64 THR CA C 66.07 . 1
757 64 THR CB C 68.69 . 1
758 64 THR CG2 C 21.99 . 1
759 64 THR N N 114.63 . 1
760 65 GLU H H 7.86 . 1
761 65 GLU HA H 4.03 . 1
762 65 GLU HB2 H 2.05 . 2
763 65 GLU HB3 H 2.29 . 2
764 65 GLU HG2 H 2.15 . 2
765 65 GLU HG3 H 2.34 . 2
766 65 GLU C C 178.33 . 5
767 65 GLU CA C 59.51 . 1
768 65 GLU CB C 29.76 . 1
769 65 GLU CG C 36.60 . 1
770 65 GLU N N 122.67 . 1
771 66 VAL H H 7.73 . 1
772 66 VAL HA H 3.44 . 1
773 66 VAL HB H 1.50 . 1
774 66 VAL HG1 H 0.27 . 2
775 66 VAL HG2 H 0.34 . 2
776 66 VAL C C 177.71 . 1
777 66 VAL CA C 65.41 . 1
778 66 VAL CB C 31.60 . 1
779 66 VAL CG1 C 22.04 . 2
780 66 VAL CG2 C 20.79 . 2
781 66 VAL N N 118.08 . 1
782 67 TYR H H 7.87 . 1
783 67 TYR HA H 4.02 . 1
784 67 TYR HB2 H 2.95 . 2
785 67 TYR HB3 H 2.87 . 2
786 67 TYR HD1 H 6.91 . 1
787 67 TYR HD2 H 6.91 . 1
788 67 TYR HE1 H 6.59 . 1
789 67 TYR HE2 H 6.59 . 1
790 67 TYR C C 177.23 . 1
791 67 TYR CA C 60.14 . 1
792 67 TYR CB C 37.68 . 1
793 67 TYR CD1 C 132.73 . 1
794 67 TYR CD2 C 132.73 . 1
795 67 TYR CE1 C 117.92 . 1
796 67 TYR CE2 C 117.92 . 1
797 67 TYR N N 120.44 . 1
798 68 ASN H H 8.14 . 1
799 68 ASN HA H 4.39 . 1
800 68 ASN HB2 H 2.76 . 1
801 68 ASN HB3 H 2.76 . 1
802 68 ASN C C 176.63 . 1
803 68 ASN CA C 54.83 . 1
804 68 ASN CB C 38.13 . 1
805 68 ASN N N 118.01 . 1
806 69 LEU H H 7.82 . 1
807 69 LEU HA H 4.14 . 1
808 69 LEU HB2 H 1.54 . 2
809 69 LEU HB3 H 1.70 . 2
810 69 LEU HG H 1.65 . 1
811 69 LEU HD1 H 0.84 . 2
812 69 LEU HD2 H 0.80 . 2
813 69 LEU C C 178.13 . 1
814 69 LEU CA C 56.59 . 1
815 69 LEU CB C 41.93 . 1
816 69 LEU CG C 26.76 . 1
817 69 LEU CD1 C 25.03 . 2
818 69 LEU CD2 C 23.39 . 2
819 69 LEU N N 120.58 . 1
820 70 ARG H H 7.86 . 1
821 70 ARG HA H 4.06 . 1
822 70 ARG HB2 H 1.73 . 1
823 70 ARG HB3 H 1.73 . 1
824 70 ARG HG2 H 1.50 . 2
825 70 ARG HG3 H 1.55 . 2
826 70 ARG HD2 H 2.97 . 1
827 70 ARG HD3 H 2.97 . 1
828 70 ARG C C 177.04 . 1
829 70 ARG CA C 57.23 . 1
830 70 ARG CB C 29.87 . 1
831 70 ARG CG C 27.17 . 1
832 70 ARG CD C 43.28 . 1
833 70 ARG N N 118.48 . 1
834 71 MET H H 7.88 . 1
835 71 MET HA H 4.29 . 1
836 71 MET HB2 H 1.94 . 2
837 71 MET HB3 H 1.86 . 2
838 71 MET HG2 H 2.28 . 2
839 71 MET HG3 H 2.37 . 2
840 71 MET HE H 1.96 . 5
841 71 MET C C 176.10 . 1
842 71 MET CA C 55.81 . 1
843 71 MET CB C 32.41 . 1
844 71 MET CG C 32.05 . 1
845 71 MET CE C 16.89 . 5
846 71 MET N N 118.09 . 1
847 72 ASN H H 8.11 . 1
848 72 ASN HA H 4.61 . 1
849 72 ASN HB2 H 2.68 . 2
850 72 ASN HB3 H 2.79 . 2
851 72 ASN HD21 H 7.50 . 2
852 72 ASN HD22 H 6.84 . 2
853 72 ASN C C 175.18 . 1
854 72 ASN CA C 53.42 . 1
855 72 ASN CB C 38.36 . 1
856 72 ASN N N 118.40 . 1
857 72 ASN ND2 N 113.06 . 1
858 73 LEU H H 8.10 . 1
859 73 LEU HA H 4.25 . 1
860 73 LEU HB2 H 1.53 . 1
861 73 LEU HB3 H 1.53 . 1
862 73 LEU HG H 1.53 . 1
863 73 LEU HD1 H 0.74 . 2
864 73 LEU HD2 H 0.80 . 2
865 73 LEU C C 177.75 . 1
866 73 LEU CA C 55.44 . 1
867 73 LEU CB C 42.06 . 1
868 73 LEU CG C 26.70 . 1
869 73 LEU CD1 C 23.12 . 2
870 73 LEU CD2 C 25.05 . 2
871 73 LEU N N 121.83 . 1
872 74 GLY H H 8.27 . 1
873 74 GLY HA2 H 3.90 . 1
874 74 GLY HA3 H 3.90 . 1
875 74 GLY C C 174.53 . 1
876 74 GLY CA C 45.24 . 1
877 74 GLY N N 108.59 . 1
878 75 GLY H H 8.18 . 1
879 75 GLY HA2 H 3.98 . 1
880 75 GLY HA3 H 3.98 . 1
881 75 GLY C C 174.43 . 1
882 75 GLY CA C 45.16 . 1
883 75 GLY N N 108.52 . 1
884 76 THR H H 8.11 . 1
885 76 THR HA H 4.27 . 1
886 76 THR HB H 4.19 . 1
887 76 THR HG2 H 1.13 . 1
888 76 THR C C 175.15 . 1
889 76 THR CA C 62.05 . 1
890 76 THR CB C 69.65 . 1
891 76 THR CG2 C 21.42 . 1
892 76 THR N N 112.75 . 1
893 77 GLY H H 8.41 . 1
894 77 GLY HA2 H 3.85 . 1
895 77 GLY HA3 H 3.85 . 1
896 77 GLY C C 173.80 . 1
897 77 GLY CA C 45.16 . 1
898 77 GLY N N 110.71 . 1
899 78 PHE H H 8.04 . 1
900 78 PHE HA H 4.48 . 1
901 78 PHE HB2 H 2.99 . 2
902 78 PHE HB3 H 2.90 . 2
903 78 PHE C C 175.54 . 1
904 78 PHE CA C 57.79 . 1
905 78 PHE CB C 39.50 . 1
906 78 PHE N N 119.94 . 1
907 79 GLN H H 8.23 . 1
908 79 GLN HA H 4.16 . 1
909 79 GLN HB2 H 1.85 . 2
910 79 GLN HB3 H 1.77 . 2
911 79 GLN HG2 H 2.14 . 1
912 79 GLN HG3 H 2.14 . 1
913 79 GLN C C 175.20 . 1
914 79 GLN CA C 55.66 . 1
915 79 GLN CB C 29.22 . 1
916 79 GLN CG C 33.66 . 1
917 79 GLN N N 121.52 . 1
918 80 HIS H H 8.21 . 1
919 80 HIS HA H 4.56 . 1
920 80 HIS C C 174.39 . 1
921 80 HIS CA C 55.67 . 1
922 80 HIS CB C 29.92 . 1
923 80 HIS N N 120.03 . 1
924 81 HIS H H 8.14 . 1
925 81 HIS HA H 4.38 . 1
926 81 HIS HB2 H 3.16 . 2
927 81 HIS HB3 H 3.04 . 2
928 81 HIS C C 178.83 . 1
929 81 HIS CA C 57.13 . 1
930 81 HIS CB C 29.82 . 1
931 81 HIS N N 125.38 . 1
stop_
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