data_30623
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C-terminal zinc finger of the C. elegans protein MEX-5
;
_BMRB_accession_number 30623
_BMRB_flat_file_name bmr30623.str
_Entry_type original
_Submission_date 2019-07-01
_Accession_date 2019-07-01
_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 Massi F. . .
2 Tavella D. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
spectral_peak_list 3
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 202
"13C chemical shifts" 114
"15N chemical shifts" 32
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2020-04-27 original BMRB .
stop_
_Original_release_date 2020-01-30
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
A Disorder-to-Order Transition Mediates RNA Binding of the Caenorhabditis elegans Protein MEX-5
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 32294479
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tavella Davide . .
2 Ertekin Asli . .
3 Schaal Hila . .
4 Ryder Sean P. .
5 Massi Francesca . .
stop_
_Journal_abbreviation 'Biophys. J.'
_Journal_name_full 'Biophysical journal'
_Journal_volume 118
_Journal_issue 8
_Journal_ISSN 1542-0086
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2001
_Page_last 2014
_Year 2020
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Zinc finger protein mex-5'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
entity_2 $entity_ZN
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 4031.641
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 35
_Mol_residue_sequence
;
NNKYKTKLCKNFARGGTGFC
PYGLRCEFVHPTDKE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 312 ASN 2 313 ASN 3 314 LYS 4 315 TYR 5 316 LYS
6 317 THR 7 318 LYS 8 319 LEU 9 320 CYS 10 321 LYS
11 322 ASN 12 323 PHE 13 324 ALA 14 325 ARG 15 326 GLY
16 327 GLY 17 328 THR 18 329 GLY 19 330 PHE 20 331 CYS
21 332 PRO 22 333 TYR 23 334 GLY 24 335 LEU 25 336 ARG
26 337 CYS 27 338 GLU 28 339 PHE 29 340 VAL 30 341 HIS
31 342 PRO 32 343 THR 33 344 ASP 34 345 LYS 35 346 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_ZN (ZINC ION)"
_BMRB_code ZN
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$entity_1 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 'mex-5, W02A2.7'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . Escherichia coli . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '300 nM [U-13C; U-15N] MEX-5, 93% H2O/7% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 300 nM '[U-13C; U-15N]'
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure calculation'
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name Sparky
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HCCH-COSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 . mM
pH 6.2 . pH
pressure 1 . atm
temperature 294 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_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
water H 1 protons ppm 4.811 na direct . . . 1
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_assigned_chemical_shifts_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'2D 1H-13C HSQC aromatic'
'3D HNCO'
'3D HN(CO)CA'
'3D HNCA'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aromatic'
'3D 1H-13C NOESY'
'3D HCCH-TOCSY'
'3D HCCH-COSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name entity_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
1 314 3 LYS H H 8.267 0.00 .
2 314 3 LYS HA H 4.159 0.00 .
3 314 3 LYS HB2 H 1.622 0.00 .
4 314 3 LYS HB3 H 1.622 0.00 .
5 314 3 LYS HG2 H 1.209 0.00 .
6 314 3 LYS HG3 H 1.177 0.00 .
7 314 3 LYS HD2 H 1.567 0.00 .
8 314 3 LYS HD3 H 1.567 0.00 .
9 314 3 LYS HE2 H 2.915 0.00 .
10 314 3 LYS HE3 H 2.915 0.00 .
11 314 3 LYS CA C 56.725 0.00 .
12 314 3 LYS CB C 32.706 0.00 .
13 314 3 LYS CG C 24.665 0.01 .
14 314 3 LYS CD C 29.093 0.00 .
15 314 3 LYS CE C 42.152 0.00 .
16 314 3 LYS N N 121.471 0.00 .
17 315 4 TYR H H 8.082 0.00 .
18 315 4 TYR HA H 4.514 0.00 .
19 315 4 TYR HB2 H 3.025 0.00 .
20 315 4 TYR HB3 H 2.880 0.00 .
21 315 4 TYR HD1 H 7.063 0.00 .
22 315 4 TYR HD2 H 7.063 0.00 .
23 315 4 TYR HE1 H 6.783 0.01 .
24 315 4 TYR HE2 H 6.783 0.01 .
25 315 4 TYR CA C 57.699 0.00 .
26 315 4 TYR CB C 38.617 0.02 .
27 315 4 TYR CD1 C 133.171 0.00 .
28 315 4 TYR CD2 C 133.171 0.00 .
29 315 4 TYR CE1 C 118.253 0.00 .
30 315 4 TYR CE2 C 118.253 0.00 .
31 315 4 TYR N N 120.875 0.00 .
32 316 5 LYS H H 8.160 0.00 .
33 316 5 LYS HA H 4.102 0.00 .
34 316 5 LYS HB2 H 1.665 0.00 .
35 316 5 LYS HB3 H 1.663 0.00 .
36 316 5 LYS HG2 H 1.137 0.00 .
37 316 5 LYS HG3 H 1.136 0.00 .
38 316 5 LYS HD2 H 1.415 0.00 .
39 316 5 LYS HD3 H 1.415 0.00 .
40 316 5 LYS HE2 H 2.860 0.00 .
41 316 5 LYS HE3 H 2.860 0.00 .
42 316 5 LYS CA C 56.674 0.00 .
43 316 5 LYS CB C 32.507 0.00 .
44 316 5 LYS CG C 24.746 0.01 .
45 316 5 LYS CD C 29.232 0.00 .
46 316 5 LYS CE C 42.276 0.00 .
47 316 5 LYS N N 122.176 0.00 .
48 317 6 THR H H 8.313 0.00 .
49 317 6 THR HA H 4.386 0.00 .
50 317 6 THR HB H 4.231 0.00 .
51 317 6 THR HG2 H 1.160 0.00 .
52 317 6 THR CA C 61.888 0.00 .
53 317 6 THR CB C 70.397 0.00 .
54 317 6 THR CG2 C 21.852 0.00 .
55 317 6 THR N N 111.565 0.00 .
56 318 7 LYS H H 8.177 0.00 .
57 318 7 LYS HA H 4.543 0.00 .
58 318 7 LYS HB2 H 1.955 0.00 .
59 318 7 LYS HB3 H 1.880 0.00 .
60 318 7 LYS HG2 H 1.516 0.00 .
61 318 7 LYS HG3 H 1.472 0.00 .
62 318 7 LYS HD2 H 1.689 0.00 .
63 318 7 LYS HD3 H 1.686 0.00 .
64 318 7 LYS HE2 H 2.955 0.00 .
65 318 7 LYS HE3 H 2.955 0.00 .
66 318 7 LYS CA C 55.512 0.00 .
67 318 7 LYS CB C 34.508 0.00 .
68 318 7 LYS CG C 24.869 0.01 .
69 318 7 LYS CD C 29.312 0.01 .
70 318 7 LYS CE C 42.236 0.01 .
71 318 7 LYS N N 123.524 0.00 .
72 319 8 LEU H H 8.373 0.00 .
73 319 8 LEU HA H 4.204 0.00 .
74 319 8 LEU HB2 H 1.600 0.00 .
75 319 8 LEU HB3 H 1.505 0.00 .
76 319 8 LEU HG H 1.754 0.00 .
77 319 8 LEU HD1 H 0.806 0.00 .
78 319 8 LEU HD2 H 0.867 0.00 .
79 319 8 LEU CA C 55.603 0.00 .
80 319 8 LEU CB C 42.790 0.01 .
81 319 8 LEU CG C 26.316 0.00 .
82 319 8 LEU CD1 C 25.115 0.00 .
83 319 8 LEU CD2 C 23.517 0.00 .
84 319 8 LEU N N 124.784 0.00 .
85 320 9 CYS H H 9.014 0.00 .
86 320 9 CYS HA H 3.726 0.00 .
87 320 9 CYS HB2 H 3.315 0.00 .
88 320 9 CYS HB3 H 3.176 0.00 .
89 320 9 CYS CA C 61.427 0.00 .
90 320 9 CYS CB C 31.827 0.00 .
91 320 9 CYS N N 128.412 0.00 .
92 321 10 LYS H H 8.560 0.00 .
93 321 10 LYS HA H 4.046 0.00 .
94 321 10 LYS HB2 H 1.828 0.00 .
95 321 10 LYS HB3 H 1.777 0.00 .
96 321 10 LYS HG2 H 1.449 0.00 .
97 321 10 LYS HG3 H 1.302 0.00 .
98 321 10 LYS HD2 H 1.612 0.00 .
99 321 10 LYS HD3 H 1.614 0.00 .
100 321 10 LYS HE2 H 2.985 0.00 .
101 321 10 LYS HE3 H 2.986 0.00 .
102 321 10 LYS CA C 58.960 0.00 .
103 321 10 LYS CB C 31.815 0.00 .
104 321 10 LYS CG C 24.100 0.02 .
105 321 10 LYS CD C 29.200 0.01 .
106 321 10 LYS CE C 42.065 0.00 .
107 321 10 LYS N N 130.418 0.00 .
108 322 11 ASN H H 8.361 0.00 .
109 322 11 ASN HA H 4.634 0.00 .
110 322 11 ASN HB2 H 2.651 0.00 .
111 322 11 ASN HB3 H 2.539 0.00 .
112 322 11 ASN HD21 H 7.650 0.00 .
113 322 11 ASN HD22 H 7.450 0.00 .
114 322 11 ASN CA C 56.076 0.00 .
115 322 11 ASN CB C 38.320 0.02 .
116 322 11 ASN N N 118.326 0.00 .
117 322 11 ASN ND2 N 118.656 0.00 .
118 323 12 PHE H H 8.073 0.00 .
119 323 12 PHE HA H 4.506 0.00 .
120 323 12 PHE HB2 H 3.375 0.00 .
121 323 12 PHE HB3 H 2.637 0.00 .
122 323 12 PHE HD1 H 7.080 0.01 .
123 323 12 PHE HD2 H 7.080 0.01 .
124 323 12 PHE HE1 H 6.712 0.01 .
125 323 12 PHE HE2 H 6.712 0.01 .
126 323 12 PHE HZ H 6.987 0.00 .
127 323 12 PHE CA C 58.091 0.00 .
128 323 12 PHE CB C 40.141 0.02 .
129 323 12 PHE CD1 C 131.368 0.00 .
130 323 12 PHE CD2 C 131.368 0.00 .
131 323 12 PHE CE1 C 131.358 0.00 .
132 323 12 PHE CE2 C 131.358 0.00 .
133 323 12 PHE CZ C 129.457 0.00 .
134 323 12 PHE N N 117.166 0.00 .
135 324 13 ALA H H 7.237 0.00 .
136 324 13 ALA HA H 4.377 0.00 .
137 324 13 ALA HB H 1.452 0.00 .
138 324 13 ALA CA C 51.606 0.00 .
139 324 13 ALA CB C 19.913 0.00 .
140 324 13 ALA N N 123.142 0.00 .
141 325 14 ARG H H 8.419 0.00 .
142 325 14 ARG HA H 4.102 0.00 .
143 325 14 ARG HB2 H 1.825 0.00 .
144 325 14 ARG HB3 H 1.781 0.00 .
145 325 14 ARG HG2 H 1.706 0.00 .
146 325 14 ARG HG3 H 1.599 0.00 .
147 325 14 ARG HD2 H 3.224 0.00 .
148 325 14 ARG HD3 H 3.224 0.00 .
149 325 14 ARG CA C 58.442 0.00 .
150 325 14 ARG CB C 29.587 0.01 .
151 325 14 ARG CG C 27.085 0.00 .
152 325 14 ARG CD C 43.324 0.00 .
153 325 14 ARG N N 121.289 0.00 .
154 326 15 GLY H H 8.850 0.00 .
155 326 15 GLY HA2 H 4.091 0.00 .
156 326 15 GLY HA3 H 3.775 0.00 .
157 326 15 GLY CA C 45.258 0.00 .
158 326 15 GLY N N 113.968 0.00 .
159 327 16 GLY H H 8.380 0.00 .
160 327 16 GLY HA2 H 4.157 0.00 .
161 327 16 GLY HA3 H 3.735 0.00 .
162 327 16 GLY CA C 44.504 0.01 .
163 327 16 GLY N N 108.717 0.00 .
164 328 17 THR H H 8.462 0.00 .
165 328 17 THR HA H 4.179 0.00 .
166 328 17 THR HB H 4.294 0.00 .
167 328 17 THR HG2 H 1.307 0.00 .
168 328 17 THR CA C 62.854 0.00 .
169 328 17 THR CB C 70.135 0.00 .
170 328 17 THR CG2 C 21.879 0.00 .
171 328 17 THR N N 110.901 0.00 .
172 329 18 GLY H H 8.514 0.00 .
173 329 18 GLY HA2 H 3.885 0.00 .
174 329 18 GLY HA3 H 3.103 0.00 .
175 329 18 GLY CA C 45.471 0.01 .
176 329 18 GLY N N 109.549 0.00 .
177 330 19 PHE H H 7.326 0.00 .
178 330 19 PHE HA H 4.388 0.00 .
179 330 19 PHE HB2 H 2.878 0.00 .
180 330 19 PHE HB3 H 2.641 0.00 .
181 330 19 PHE HD1 H 7.264 0.00 .
182 330 19 PHE HD2 H 7.264 0.00 .
183 330 19 PHE CA C 56.788 0.00 .
184 330 19 PHE CB C 41.149 0.01 .
185 330 19 PHE N N 117.872 0.00 .
186 331 20 CYS H H 8.226 0.00 .
187 331 20 CYS HB2 H 2.860 0.00 .
188 331 20 CYS HB3 H 2.459 0.00 .
189 331 20 CYS CB C 32.532 0.00 .
190 331 20 CYS N N 127.911 0.00 .
191 332 21 PRO HA H 4.201 0.00 .
192 332 21 PRO HB2 H 2.251 0.00 .
193 332 21 PRO HB3 H 1.606 0.00 .
194 332 21 PRO HG2 H 1.867 0.00 .
195 332 21 PRO HG3 H 1.323 0.00 .
196 332 21 PRO HD2 H 3.923 0.00 .
197 332 21 PRO HD3 H 3.531 0.00 .
198 332 21 PRO CA C 63.771 0.00 .
199 332 21 PRO CB C 32.162 0.07 .
200 332 21 PRO CG C 26.287 0.00 .
201 332 21 PRO CD C 51.663 0.00 .
202 333 22 TYR H H 8.161 0.00 .
203 333 22 TYR HA H 4.477 0.00 .
204 333 22 TYR HB2 H 2.943 0.00 .
205 333 22 TYR HB3 H 2.943 0.00 .
206 333 22 TYR HD1 H 7.288 0.00 .
207 333 22 TYR HD2 H 7.288 0.00 .
208 333 22 TYR HE1 H 6.923 0.00 .
209 333 22 TYR HE2 H 6.923 0.00 .
210 333 22 TYR CA C 59.010 0.00 .
211 333 22 TYR CB C 38.041 0.01 .
212 333 22 TYR CD1 C 133.216 0.00 .
213 333 22 TYR CD2 C 133.216 0.00 .
214 333 22 TYR CE1 C 118.480 0.00 .
215 333 22 TYR CE2 C 118.480 0.00 .
216 333 22 TYR N N 118.671 0.00 .
217 334 23 GLY H H 7.652 0.00 .
218 334 23 GLY HA2 H 4.017 0.00 .
219 334 23 GLY HA3 H 4.019 0.00 .
220 334 23 GLY CA C 47.385 0.00 .
221 334 23 GLY N N 108.206 0.00 .
222 335 24 LEU H H 8.875 0.00 .
223 335 24 LEU HA H 4.230 0.00 .
224 335 24 LEU HB2 H 1.736 0.00 .
225 335 24 LEU HB3 H 1.672 0.00 .
226 335 24 LEU HG H 1.796 0.00 .
227 335 24 LEU HD1 H 0.964 0.00 .
228 335 24 LEU HD2 H 0.931 0.00 .
229 335 24 LEU CA C 56.546 0.00 .
230 335 24 LEU CB C 41.912 0.01 .
231 335 24 LEU CG C 27.212 0.00 .
232 335 24 LEU CD1 C 25.221 0.00 .
233 335 24 LEU CD2 C 23.091 0.00 .
234 335 24 LEU N N 125.522 0.00 .
235 336 25 ARG H H 8.041 0.00 .
236 336 25 ARG HA H 4.343 0.00 .
237 336 25 ARG HB2 H 2.073 0.00 .
238 336 25 ARG HB3 H 1.934 0.00 .
239 336 25 ARG HG2 H 1.723 0.00 .
240 336 25 ARG HG3 H 1.671 0.00 .
241 336 25 ARG HD2 H 3.257 0.00 .
242 336 25 ARG HD3 H 3.257 0.00 .
243 336 25 ARG CA C 55.389 0.00 .
244 336 25 ARG CB C 29.904 0.00 .
245 336 25 ARG CG C 27.539 0.01 .
246 336 25 ARG CD C 43.225 0.00 .
247 336 25 ARG N N 116.000 0.00 .
248 337 26 CYS H H 7.403 0.00 .
249 337 26 CYS HA H 3.745 0.00 .
250 337 26 CYS HB2 H 2.980 0.00 .
251 337 26 CYS HB3 H 2.572 0.00 .
252 337 26 CYS CA C 61.627 0.00 .
253 337 26 CYS CB C 30.786 0.00 .
254 337 26 CYS N N 124.056 0.00 .
255 338 27 GLU H H 8.552 0.00 .
256 338 27 GLU HA H 4.045 0.00 .
257 338 27 GLU HB2 H 1.623 0.00 .
258 338 27 GLU HB3 H 1.566 0.00 .
259 338 27 GLU HG2 H 1.740 0.00 .
260 338 27 GLU HG3 H 1.705 0.00 .
261 338 27 GLU CA C 57.384 0.00 .
262 338 27 GLU CB C 29.721 0.01 .
263 338 27 GLU CG C 35.990 0.00 .
264 338 27 GLU N N 126.340 0.00 .
265 339 28 PHE H H 8.975 0.00 .
266 339 28 PHE HB2 H 3.387 0.00 .
267 339 28 PHE HB3 H 3.140 0.00 .
268 339 28 PHE HD1 H 7.450 0.00 .
269 339 28 PHE HD2 H 7.450 0.00 .
270 339 28 PHE HE1 H 7.345 0.01 .
271 339 28 PHE HE2 H 7.345 0.01 .
272 339 28 PHE CB C 39.738 0.04 .
273 339 28 PHE CD1 C 132.487 0.00 .
274 339 28 PHE CD2 C 132.487 0.00 .
275 339 28 PHE CE1 C 131.537 0.00 .
276 339 28 PHE CE2 C 131.537 0.00 .
277 339 28 PHE N N 122.078 0.00 .
278 340 29 VAL H H 8.674 0.00 .
279 340 29 VAL HA H 3.644 0.00 .
280 340 29 VAL HB H 1.756 0.00 .
281 340 29 VAL HG1 H 0.799 0.00 .
282 340 29 VAL HG2 H 0.761 0.00 .
283 340 29 VAL CA C 63.949 0.00 .
284 340 29 VAL CB C 33.073 0.00 .
285 340 29 VAL CG1 C 22.432 0.00 .
286 340 29 VAL CG2 C 21.241 0.00 .
287 340 29 VAL N N 118.827 0.00 .
288 341 30 HIS H H 8.659 0.00 .
289 341 30 HIS HB2 H 2.928 0.00 .
290 341 30 HIS HB3 H 2.422 0.00 .
291 341 30 HIS HD2 H 6.834 0.00 .
292 341 30 HIS HE1 H 8.106 0.00 .
293 341 30 HIS CB C 29.260 0.03 .
294 341 30 HIS CD2 C 124.600 0.00 .
295 341 30 HIS CE1 C 140.290 0.00 .
296 341 30 HIS N N 126.053 0.00 .
297 342 31 PRO HA H 4.319 0.00 .
298 342 31 PRO HB2 H 2.216 0.00 .
299 342 31 PRO HB3 H 1.861 0.00 .
300 342 31 PRO HG2 H 1.830 0.00 .
301 342 31 PRO HG3 H 1.830 0.00 .
302 342 31 PRO HD2 H 3.099 0.00 .
303 342 31 PRO HD3 H 2.478 0.00 .
304 342 31 PRO CA C 63.593 0.00 .
305 342 31 PRO CB C 32.081 0.05 .
306 342 31 PRO CG C 27.594 0.00 .
307 342 31 PRO CD C 50.166 0.00 .
308 343 32 THR H H 7.799 0.00 .
309 343 32 THR HA H 4.289 0.00 .
310 343 32 THR HB H 4.304 0.00 .
311 343 32 THR HG2 H 1.195 0.00 .
312 343 32 THR CA C 61.632 0.00 .
313 343 32 THR CB C 69.748 0.00 .
314 343 32 THR CG2 C 21.696 0.00 .
315 343 32 THR N N 110.802 0.00 .
316 344 33 ASP H H 8.133 0.00 .
317 344 33 ASP HA H 4.587 0.00 .
318 344 33 ASP HB2 H 2.702 0.00 .
319 344 33 ASP HB3 H 2.702 0.00 .
320 344 33 ASP CA C 54.694 0.00 .
321 344 33 ASP CB C 41.032 0.00 .
322 344 33 ASP N N 121.955 0.00 .
323 345 34 LYS H H 8.174 0.00 .
324 345 34 LYS HA H 4.361 0.00 .
325 345 34 LYS HB2 H 1.862 0.00 .
326 345 34 LYS HB3 H 1.731 0.00 .
327 345 34 LYS HG2 H 1.419 0.00 .
328 345 34 LYS HG3 H 1.419 0.00 .
329 345 34 LYS HD2 H 1.669 0.00 .
330 345 34 LYS HD3 H 1.669 0.00 .
331 345 34 LYS HE2 H 2.998 0.00 .
332 345 34 LYS HE3 H 2.997 0.00 .
333 345 34 LYS CA C 55.961 0.00 .
334 345 34 LYS CB C 33.253 0.04 .
335 345 34 LYS CG C 24.497 0.00 .
336 345 34 LYS CD C 29.012 0.00 .
337 345 34 LYS CE C 42.160 0.01 .
338 345 34 LYS N N 121.055 0.00 .
339 346 35 GLU H H 8.014 0.00 .
340 346 35 GLU HA H 4.101 0.00 .
341 346 35 GLU HB2 H 2.033 0.00 .
342 346 35 GLU HB3 H 1.894 0.00 .
343 346 35 GLU HG2 H 2.211 0.00 .
344 346 35 GLU HG3 H 2.211 0.00 .
345 346 35 GLU CA C 58.149 0.00 .
346 346 35 GLU CB C 31.024 0.00 .
347 346 35 GLU CG C 36.595 0.00 .
348 346 35 GLU N N 127.210 0.00 .
stop_
save_
save_spectral_peak_list_1
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-13C NOESY aromatic'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C C-aromatic
2 H H
3 H H-aromatic
stop_
_Sample_label $sample_1
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_spectral_peak_list_1
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode spectral_peak_list_1
>> _Spectral_peak_list.Entry_ID 30623
>> _Spectral_peak_list.ID 1
>> _Spectral_peak_list.Name .
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $sample_1
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Chem_shift_reference_ID 1
>> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
>> _Spectral_peak_list.Experiment_ID 10
>> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
>> _Spectral_peak_list.Experiment_class .
>> _Spectral_peak_list.Experiment_type .
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Chemical_shift_list .
>> _Spectral_peak_list.Assigned_chem_shift_list_ID 1
>> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>># Number of dimensions 3
>>#FORMAT xeasy3D
>>#INAME 1 C
>>#INAME 2 h
>>#INAME 3 H
>>#CYANAFORMAT ChH
>> 1 140.290 8.106 8.107 1 U 2.9e+04 0 e 0 0 0 0
>> 2 140.290 2.854 8.105 1 U 4.91e+03 0 e 0 0 0 0
>> 3 140.290 2.969 8.105 1 U 2.76e+03 0 e 0 0 0 0
>> 4 140.290 2.451 8.105 1 U 2.17e+03 0 e 0 0 0 0
>> 5 124.600 6.834 6.823 1 U 2.48e+04 0 e 0 0 0 0
>> 6 124.600 7.078 6.820 1 U 3.14e+03 0 e 0 0 0 0
>> 7 124.600 4.844 6.828 1 U 4.34e+03 0 e 0 0 0 0
>> 8 124.600 3.301 6.830 1 U 5.52e+03 0 e 0 0 0 0
>> 9 124.600 3.162 6.825 1 U 5.92e+03 0 e 0 0 0 0
>> 10 131.358 6.712 6.713 1 U 2.17e+04 0 e 0 0 0 0
>> 11 131.358 6.990 6.710 1 U 1.34e+04 0 e 0 0 0 0
>> 12 131.358 7.078 6.708 1 U 1.7e+04 0 e 0 0 0 0
>> 13 131.358 7.075 7.072 1 U 8.95e+04 0 e 0 0 0 0
>> 14 131.358 6.712 7.074 1 U 1.41e+04 0 e 0 0 0 0
>> 15 131.358 6.990 7.074 1 U 1.5e+04 0 e 0 0 0 0
>> 16 131.358 4.500 7.079 1 U 2.68e+03 0 e 0 0 0 0
>> 17 131.358 3.364 7.082 1 U 4.41e+03 0 e 0 0 0 0
>> 18 131.358 3.296 7.079 1 U 3.18e+03 0 e 0 0 0 0
>> 19 131.358 3.174 7.079 1 U 3.25e+03 0 e 0 0 0 0
>> 20 131.358 2.864 7.074 1 U 3.04e+03 0 e 0 0 0 0
>> 21 131.358 2.630 7.077 1 U 6.29e+03 0 e 0 0 0 0
>> 22 131.358 2.466 7.074 1 U 3.17e+03 0 e 0 0 0 0
>> 23 131.358 2.459 6.708 1 U 2.27e+03 0 e 0 0 0 0
>> 24 131.358 2.859 6.718 1 U 1.95e+03 0 e 0 0 0 0
>> 25 129.457 6.995 6.984 1 U 2.17e+04 0 e 0 0 0 0
>> 26 129.457 6.717 6.986 1 U 1.24e+04 0 e 0 0 0 0
>> 27 129.457 7.080 6.979 1 U 4.84e+03 0 e 0 0 0 0
>> 28 129.457 2.827 6.984 1 U 2.24e+03 0 e 0 0 0 0
>> 29 129.457 2.466 6.986 1 U 1.99e+03 0 e 0 0 0 0
>> 30 118.480 6.924 6.918 1 U 2.74e+05 0 e 0 0 0 0
>> 31 118.480 7.278 6.920 1 U 4.13e+04 0 e 0 0 0 0
>> 32 118.480 2.940 6.916 1 U 3.07e+03 0 e 0 0 0 0
>> 33 133.171 7.075 7.060 1 U 1.59e+05 0 e 0 0 0 0
>> 34 133.171 6.782 7.060 1 U 4.93e+04 0 e 0 0 0 0
>> 35 133.171 4.500 7.052 1 U 5.19e+03 0 e 0 0 0 0
>> 36 133.171 3.018 7.055 1 U 5.3e+03 0 e 0 0 0 0
>> 37 133.171 2.891 7.057 1 U 5.39e+03 0 e 0 0 0 0
>> 38 133.216 7.288 7.284 1 U 1.25e+05 0 e 0 0 0 0
>> 39 133.216 6.922 7.287 1 U 3.63e+04 0 e 0 0 0 0
>> 40 133.216 4.463 7.284 1 U 4.11e+03 0 e 0 0 0 0
>> 41 133.216 2.942 7.289 1 U 8.55e+03 0 e 0 0 0 0
>> 42 131.358 2.637 6.713 1 U 1.72e+03 0 e 0 0 0 0
>> 43 132.487 7.444 7.445 1 U 3.66e+04 0 e 0 0 0 0
>> 44 132.487 7.346 7.445 1 U 1.2e+04 0 e 0 0 0 0
>> 45 131.537 7.342 7.335 1 U 3.63e+04 0 e 0 0 0 0
>> 46 131.537 7.449 7.343 1 U 9.27e+03 0 e 0 0 0 0
>> 47 132.487 3.362 7.455 1 U 2.16e+03 0 e 0 0 0 0
>> 48 132.487 3.135 7.450 1 U 2.24e+03 0 e 0 0 0 0
>> 49 118.253 7.061 6.776 1 U 6.84e+04 0 e 0 0 0 0
>> 50 118.253 6.773 6.774 1 U 2.48e+05 0 e 0 0 0 0
>> 51 118.253 3.025 6.774 1 U 1.84e+03 0 e 0 0 0 0
>> 52 118.253 2.879 6.776 1 U 2.49e+03 0 e 0 0 0 0
>> 53 118.253 4.053 6.772 1 U 2.07e+03 0 e 0 0 0 0
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Axis_code
>> _Spectral_dim.Spectrometer_frequency
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Under_sampling_type
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Sweep_width_units
>> _Spectral_dim.Value_first_point
>> _Spectral_dim.Absolute_peak_positions
>> _Spectral_dim.Acquisition
>> _Spectral_dim.Center_frequency_offset
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_reduced_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 . . C 13 C-aromatic . aliased 5428.882 Hz . . . 125.175 . . 30623 1
>> 2 . . H 1 H . aliased 5997.001 Hz . . . 4.811 . . 30623 1
>> 3 . . H 1 H-aromatic . aliased 5997.001 Hz . . . 4.811 . . 30623 1
>>
>> stop_
>>
>>save_
>>
;
save_
save_spectral_peak_list_2
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-15N NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 N N
2 H H
3 H HN
stop_
_Sample_label $sample_1
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_spectral_peak_list_2
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode spectral_peak_list_2
>> _Spectral_peak_list.Entry_ID 30623
>> _Spectral_peak_list.ID 2
>> _Spectral_peak_list.Name .
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $sample_1
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Chem_shift_reference_ID 1
>> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
>> _Spectral_peak_list.Experiment_ID 9
>> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
>> _Spectral_peak_list.Experiment_class .
>> _Spectral_peak_list.Experiment_type .
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Chemical_shift_list .
>> _Spectral_peak_list.Assigned_chem_shift_list_ID 1
>> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>># Number of dimensions 3
>>#FORMAT xeasy3D
>>#INAME 1 N
>>#INAME 2 h
>>#INAME 3 H
>>#CYANAFORMAT NhH
>> 1 121.471 8.260 8.256 1 U 9.69e+05 0 e 0 0 0 0
>> 2 121.471 8.099 8.259 1 U 1.12e+05 0 e 0 0 0 0
>> 3 121.471 4.159 8.259 1 U 7.41e+04 0 e 0 0 0 0
>> 4 121.471 2.700 8.259 1 U 3.61e+04 0 e 0 0 0 0
>> 5 121.471 1.601 8.257 1 U 1.32e+05 0 e 0 0 0 0
>> 6 121.471 1.194 8.257 1 U 4.98e+04 0 e 0 0 0 0
>> 7 120.875 8.070 8.072 1 U 2.4e+06 0 e 0 0 0 0
>> 8 120.875 8.158 8.070 1 U 6.47e+05 0 e 0 0 0 0
>> 9 120.875 7.056 8.073 1 U 3.42e+04 0 e 0 0 0 0
>> 10 120.875 4.513 8.073 1 U 1.5e+05 0 e 0 0 0 0
>> 11 120.875 4.144 8.073 1 U 2.46e+05 0 e 0 0 0 0
>> 12 120.875 2.998 8.075 1 U 1.63e+05 0 e 0 0 0 0
>> 13 120.875 2.867 8.073 1 U 2.14e+05 0 e 0 0 0 0
>> 14 120.875 1.616 8.073 1 U 1.03e+05 0 e 0 0 0 0
>> 15 120.875 1.164 8.072 1 U 4.44e+04 0 e 0 0 0 0
>> 16 122.176 8.155 8.156 1 U 2.59e+06 0 e 0 0 0 0
>> 17 122.176 7.780 8.153 1 U 8.45e+04 0 e 0 0 0 0
>> 18 122.176 4.288 8.155 1 U 2.84e+05 0 e 0 0 0 0
>> 19 122.176 2.685 8.153 1 U 2.23e+05 0 e 0 0 0 0
>> 20 111.565 8.298 8.303 1 U 6.88e+05 0 e 0 0 0 0
>> 21 111.565 8.155 8.303 1 U 2.6e+05 0 e 0 0 0 0
>> 22 111.565 4.380 8.301 1 U 6.37e+04 0 e 0 0 0 0
>> 23 111.565 4.115 8.300 1 U 1.91e+05 0 e 0 0 0 0
>> 24 111.565 0.781 8.302 1 U 2.66e+04 0 e 0 0 0 0
>> 25 111.565 1.135 8.301 1 U 6.47e+04 0 e 0 0 0 0
>> 26 111.565 1.665 8.303 1 U 5.97e+04 0 e 0 0 0 0
>> 27 123.524 8.178 8.165 1 U 1.51e+06 0 e 0 0 0 0
>> 28 123.524 8.357 8.169 1 U 9.78e+04 0 e 0 0 0 0
>> 29 123.524 4.367 8.166 1 U 1.75e+05 0 e 0 0 0 0
>> 30 123.524 4.200 8.169 1 U 8.24e+04 0 e 0 0 0 0
>> 31 123.524 4.531 8.168 1 U 1.03e+05 0 e 0 0 0 0
>> 32 123.524 0.778 8.169 1 U 6.06e+04 0 e 0 0 0 0
>> 33 123.524 1.159 8.166 1 U 4.65e+04 0 e 0 0 0 0
>> 34 123.524 1.472 8.167 1 U 7.68e+04 0 e 0 0 0 0
>> 35 123.524 1.706 8.168 1 U 6.85e+04 0 e 0 0 0 0
>> 36 123.524 1.900 8.167 1 U 1.71e+05 0 e 0 0 0 0
>> 37 124.784 8.366 8.363 1 U 1.17e+06 0 e 0 0 0 0
>> 38 124.784 4.528 8.363 1 U 3.96e+05 0 e 0 0 0 0
>> 39 124.784 4.185 8.362 1 U 9.5e+04 0 e 0 0 0 0
>> 40 124.784 1.929 8.364 1 U 8.69e+04 0 e 0 0 0 0
>> 41 124.784 1.542 8.363 1 U 3.29e+05 0 e 0 0 0 0
>> 42 124.784 0.819 8.362 1 U 7.79e+04 0 e 0 0 0 0
>> 43 128.412 9.013 9.004 1 U 6.38e+05 0 e 0 0 0 0
>> 44 128.412 8.647 9.003 1 U 5.99e+04 0 e 0 0 0 0
>> 45 128.412 8.336 9.005 1 U 2.61e+04 0 e 0 0 0 0
>> 46 128.412 8.102 9.004 1 U 2.9e+04 0 e 0 0 0 0
>> 47 128.412 6.828 9.004 1 U 3.32e+04 0 e 0 0 0 0
>> 48 128.412 4.806 9.003 1 U 2.64e+04 0 e 0 0 0 0
>> 49 128.412 4.194 9.004 1 U 2.72e+05 0 e 0 0 0 0
>> 50 128.412 3.702 9.002 1 U 8.71e+04 0 e 0 0 0 0
>> 51 128.412 3.324 9.003 1 U 1.97e+05 0 e 0 0 0 0
>> 52 128.412 3.154 9.004 1 U 2.05e+05 0 e 0 0 0 0
>> 53 128.412 1.745 9.005 1 U 1.14e+05 0 e 0 0 0 0
>> 54 128.412 1.504 9.004 1 U 4.41e+04 0 e 0 0 0 0
>> 55 128.412 0.822 9.004 1 U 1.26e+05 0 e 0 0 0 0
>> 56 130.418 8.547 8.551 1 U 9.56e+05 0 e 0 0 0 0
>> 57 130.418 8.380 8.552 1 U 1.01e+05 0 e 0 0 0 0
>> 58 130.418 8.038 8.550 1 U 2.56e+04 0 e 0 0 0 0
>> 59 130.418 9.019 8.551 1 U 3.06e+04 0 e 0 0 0 0
>> 60 130.418 3.699 8.550 1 U 3.14e+05 0 e 0 0 0 0
>> 61 130.418 3.330 8.552 1 U 6.35e+04 0 e 0 0 0 0
>> 62 130.418 3.154 8.551 1 U 7.4e+04 0 e 0 0 0 0
>> 63 130.418 4.033 8.551 1 U 1.2e+05 0 e 0 0 0 0
>> 64 130.418 1.783 8.550 1 U 2.27e+05 0 e 0 0 0 0
>> 65 130.418 1.411 8.552 1 U 8.93e+04 0 e 0 0 0 0
>> 66 130.418 1.299 8.552 1 U 5.58e+04 0 e 0 0 0 0
>> 67 118.326 8.342 8.350 1 U 1.46e+06 0 e 0 0 0 0
>> 68 118.326 8.550 8.351 1 U 1.33e+05 0 e 0 0 0 0
>> 69 118.326 8.035 8.352 1 U 1.58e+05 0 e 0 0 0 0
>> 70 118.326 7.428 8.351 1 U 6.56e+04 0 e 0 0 0 0
>> 71 118.326 7.223 8.352 1 U 2.97e+04 0 e 0 0 0 0
>> 72 118.326 4.613 8.348 1 U 1.19e+05 0 e 0 0 0 0
>> 73 118.326 4.044 8.350 1 U 5.21e+04 0 e 0 0 0 0
>> 74 118.326 3.693 8.349 1 U 3.55e+04 0 e 0 0 0 0
>> 75 118.326 3.309 8.352 1 U 2.33e+04 0 e 0 0 0 0
>> 76 118.326 3.154 8.351 1 U 2.4e+04 0 e 0 0 0 0
>> 77 118.326 2.615 8.350 1 U 2.59e+05 0 e 0 0 0 0
>> 78 118.326 2.516 8.350 1 U 1.82e+05 0 e 0 0 0 0
>> 79 118.326 1.777 8.351 1 U 7.21e+04 0 e 0 0 0 0
>> 80 118.326 1.419 8.349 1 U 5.14e+04 0 e 0 0 0 0
>> 81 118.326 1.311 8.350 1 U 4.06e+04 0 e 0 0 0 0
>> 82 118.656 7.651 7.639 1 U 4.51e+05 0 e 0 0 0 0
>> 83 118.656 7.431 7.639 1 U 3.7e+05 0 e 0 0 0 0
>> 84 118.656 7.428 7.441 1 U 4.59e+05 0 e 0 0 0 0
>> 85 118.656 7.642 7.442 1 U 3.9e+05 0 e 0 0 0 0
>> 86 118.656 8.363 7.443 1 U 2.44e+04 0 e 0 0 0 0
>> 87 118.656 4.827 7.642 1 U 2.48e+04 0 e 0 0 0 0
>> 88 118.656 4.847 7.439 1 U 3.77e+04 0 e 0 0 0 0
>> 89 118.656 3.910 7.442 1 U 2.7e+04 0 e 0 0 0 0
>> 90 118.656 3.907 7.643 1 U 2.84e+04 0 e 0 0 0 0
>> 91 118.656 2.618 7.645 1 U 5.15e+04 0 e 0 0 0 0
>> 92 118.656 2.506 7.642 1 U 4.26e+04 0 e 0 0 0 0
>> 93 118.656 2.635 7.441 1 U 9.28e+04 0 e 0 0 0 0
>> 94 118.656 2.506 7.444 1 U 8.15e+04 0 e 0 0 0 0
>> 95 117.166 8.542 8.066 1 U 2.39e+04 0 e 0 0 0 0
>> 96 117.166 8.345 8.063 1 U 1.18e+05 0 e 0 0 0 0
>> 97 117.166 8.049 8.063 1 U 9.16e+05 0 e 0 0 0 0
>> 98 117.166 7.214 8.066 1 U 2.19e+05 0 e 0 0 0 0
>> 99 117.166 7.068 8.062 1 U 5.14e+04 0 e 0 0 0 0
>> 100 117.166 6.672 8.059 1 U 4.95e+04 0 e 0 0 0 0
>> 101 117.166 4.610 8.062 1 U 4.98e+04 0 e 0 0 0 0
>> 102 117.166 4.469 8.063 1 U 8.41e+04 0 e 0 0 0 0
>> 103 117.166 4.071 8.066 1 U 2.45e+04 0 e 0 0 0 0
>> 104 117.166 3.341 8.066 1 U 1.07e+05 0 e 0 0 0 0
>> 105 117.166 3.142 8.068 1 U 3.14e+04 0 e 0 0 0 0
>> 106 117.166 2.609 8.066 1 U 1.72e+05 0 e 0 0 0 0
>> 107 117.166 1.794 8.064 1 U 2.28e+04 0 e 0 0 0 0
>> 108 117.166 1.419 8.062 1 U 4.17e+04 0 e 0 0 0 0
>> 109 123.142 8.363 7.228 1 U 4.59e+04 0 e 0 0 0 0
>> 110 123.142 8.049 7.230 1 U 2.5e+05 0 e 0 0 0 0
>> 111 123.142 7.211 7.228 1 U 1.29e+06 0 e 0 0 0 0
>> 112 123.142 4.472 7.228 1 U 1.01e+05 0 e 0 0 0 0
>> 113 123.142 4.361 7.228 1 U 1.09e+05 0 e 0 0 0 0
>> 114 123.142 4.036 7.227 1 U 5.23e+04 0 e 0 0 0 0
>> 115 123.142 4.118 7.228 1 U 3.37e+04 0 e 0 0 0 0
>> 116 123.142 3.350 7.230 1 U 4.27e+04 0 e 0 0 0 0
>> 117 123.142 2.612 7.230 1 U 4.54e+04 0 e 0 0 0 0
>> 118 123.142 1.431 7.228 1 U 2.76e+05 0 e 0 0 0 0
>> 119 123.142 0.816 7.228 1 U 2.46e+04 0 e 0 0 0 0
>> 120 121.289 8.398 8.409 1 U 9.97e+05 0 e 0 0 0 0
>> 121 121.289 7.179 8.410 1 U 2.57e+04 0 e 0 0 0 0
>> 122 121.289 4.355 8.408 1 U 1.85e+05 0 e 0 0 0 0
>> 123 121.289 4.091 8.408 1 U 1.13e+05 0 e 0 0 0 0
>> 124 121.289 1.789 8.410 1 U 2.28e+05 0 e 0 0 0 0
>> 125 121.289 1.422 8.408 1 U 1.57e+05 0 e 0 0 0 0
>> 126 113.968 8.829 8.840 1 U 1.47e+05 0 e 0 0 0 0
>> 127 113.968 8.380 8.840 1 U 6.74e+04 0 e 0 0 0 0
>> 128 113.968 4.097 8.839 1 U 1.77e+05 0 e 0 0 0 0
>> 129 113.968 3.746 8.840 1 U 7.55e+04 0 e 0 0 0 0
>> 130 113.968 1.765 8.838 1 U 2.93e+04 0 e 0 0 0 0
>> 131 108.717 8.852 8.370 1 U 1.1e+05 0 e 0 0 0 0
>> 132 108.717 8.366 8.370 1 U 1.88e+06 0 e 0 0 0 0
>> 133 108.717 4.132 8.372 1 U 3.73e+05 0 e 0 0 0 0
>> 134 108.717 3.725 8.369 1 U 3.97e+05 0 e 0 0 0 0
>> 135 108.717 1.457 8.369 1 U 3.21e+04 0 e 0 0 0 0
>> 136 110.901 8.451 8.451 1 U 1.47e+06 0 e 0 0 0 0
>> 137 110.901 8.120 8.449 1 U 4.17e+04 0 e 0 0 0 0
>> 138 110.901 4.153 8.453 1 U 3.24e+05 0 e 0 0 0 0
>> 139 110.901 4.308 8.452 1 U 9.18e+04 0 e 0 0 0 0
>> 140 110.901 3.722 8.451 1 U 2.03e+05 0 e 0 0 0 0
>> 141 110.901 1.293 8.453 1 U 1.76e+05 0 e 0 0 0 0
>> 142 109.549 8.492 8.503 1 U 1.5e+06 0 e 0 0 0 0
>> 143 109.549 8.008 8.501 1 U 3.73e+04 0 e 0 0 0 0
>> 144 109.549 7.311 8.505 1 U 1.74e+05 0 e 0 0 0 0
>> 145 109.549 4.607 8.503 1 U 3.29e+04 0 e 0 0 0 0
>> 146 109.549 4.469 8.506 1 U 4.34e+04 0 e 0 0 0 0
>> 147 109.549 4.290 8.504 1 U 4.88e+04 0 e 0 0 0 0
>> 148 109.549 4.159 8.506 1 U 1.12e+05 0 e 0 0 0 0
>> 149 109.549 3.863 8.505 1 U 2.35e+05 0 e 0 0 0 0
>> 150 109.549 3.728 8.505 1 U 5.7e+04 0 e 0 0 0 0
>> 151 109.549 3.089 8.504 1 U 2.5e+05 0 e 0 0 0 0
>> 152 109.549 2.568 8.504 1 U 4.92e+04 0 e 0 0 0 0
>> 153 109.549 1.282 8.505 1 U 3.88e+04 0 e 0 0 0 0
>> 154 117.872 7.314 7.315 1 U 1.56e+06 0 e 0 0 0 0
>> 155 117.872 8.228 7.318 1 U 4.43e+04 0 e 0 0 0 0
>> 156 117.872 8.495 7.318 1 U 1.71e+05 0 e 0 0 0 0
>> 157 117.872 3.860 7.315 1 U 9.68e+04 0 e 0 0 0 0
>> 158 117.872 4.370 7.317 1 U 1.14e+05 0 e 0 0 0 0
>> 159 117.872 4.238 7.317 1 U 4.43e+04 0 e 0 0 0 0
>> 160 117.872 3.078 7.316 1 U 8.8e+04 0 e 0 0 0 0
>> 161 117.872 2.852 7.315 1 U 1.11e+05 0 e 0 0 0 0
>> 162 117.872 2.609 7.316 1 U 1.73e+05 0 e 0 0 0 0
>> 163 117.872 2.509 7.314 1 U 6.36e+04 0 e 0 0 0 0
>> 164 117.872 1.299 7.317 1 U 2.23e+04 0 e 0 0 0 0
>> 165 127.911 8.222 8.216 1 U 1.48e+06 0 e 0 0 0 0
>> 166 127.911 7.666 8.218 1 U 2.77e+04 0 e 0 0 0 0
>> 167 127.911 7.288 8.216 1 U 5.9e+04 0 e 0 0 0 0
>> 168 127.911 7.103 8.216 1 U 3.88e+04 0 e 0 0 0 0
>> 169 127.911 6.898 8.215 1 U 3.92e+04 0 e 0 0 0 0
>> 170 127.911 6.998 8.215 1 U 3.81e+04 0 e 0 0 0 0
>> 171 127.911 4.853 8.213 1 U 7.83e+04 0 e 0 0 0 0
>> 172 127.911 4.384 8.213 1 U 4.47e+05 0 e 0 0 0 0
>> 173 127.911 3.898 8.217 1 U 2.81e+04 0 e 0 0 0 0
>> 174 127.911 2.855 8.215 1 U 2.29e+05 0 e 0 0 0 0
>> 175 127.911 2.618 8.217 1 U 6.83e+04 0 e 0 0 0 0
>> 176 127.911 2.454 8.216 1 U 1.34e+05 0 e 0 0 0 0
>> 177 118.671 8.134 8.151 1 U 1.51e+06 0 e 0 0 0 0
>> 178 118.671 7.636 8.150 1 U 2.56e+05 0 e 0 0 0 0
>> 179 118.671 8.263 8.150 1 U 1.79e+05 0 e 0 0 0 0
>> 180 118.671 7.258 8.151 1 U 6e+04 0 e 0 0 0 0
>> 181 118.671 4.472 8.150 1 U 1.3e+05 0 e 0 0 0 0
>> 182 118.671 4.200 8.152 1 U 5.06e+04 0 e 0 0 0 0
>> 183 118.671 3.951 8.154 1 U 1.04e+05 0 e 0 0 0 0
>> 184 118.671 3.505 8.153 1 U 4.23e+04 0 e 0 0 0 0
>> 185 118.671 2.934 8.151 1 U 3.38e+05 0 e 0 0 0 0
>> 186 118.671 1.302 8.150 1 U 5.64e+04 0 e 0 0 0 0
>> 187 118.671 1.598 8.151 1 U 3.59e+04 0 e 0 0 0 0
>> 188 118.671 1.865 8.149 1 U 2.82e+04 0 e 0 0 0 0
>> 189 118.671 2.193 8.146 1 U 2.28e+04 0 e 0 0 0 0
>> 190 118.671 2.495 8.149 1 U 2.37e+04 0 e 0 0 0 0
>> 191 108.206 7.642 7.642 1 U 1.31e+06 0 e 0 0 0 0
>> 192 108.206 8.137 7.642 1 U 2.71e+05 0 e 0 0 0 0
>> 193 108.206 8.855 7.640 1 U 4.15e+04 0 e 0 0 0 0
>> 194 108.206 4.487 7.644 1 U 5.77e+04 0 e 0 0 0 0
>> 195 108.206 3.998 7.643 1 U 5.42e+05 0 e 0 0 0 0
>> 196 108.206 2.922 7.642 1 U 1.37e+05 0 e 0 0 0 0
>> 197 108.206 2.492 7.644 1 U 3.17e+04 0 e 0 0 0 0
>> 198 125.522 8.852 8.863 1 U 6.57e+05 0 e 0 0 0 0
>> 199 125.522 8.026 8.864 1 U 1.07e+05 0 e 0 0 0 0
>> 200 125.522 7.622 8.862 1 U 3.07e+04 0 e 0 0 0 0
>> 201 125.522 4.208 8.865 1 U 8.87e+04 0 e 0 0 0 0
>> 202 125.522 4.006 8.862 1 U 4.06e+05 0 e 0 0 0 0
>> 203 125.522 1.730 8.864 1 U 2.8e+05 0 e 0 0 0 0
>> 204 125.522 0.927 8.864 1 U 5.56e+04 0 e 0 0 0 0
>> 205 116.000 8.032 8.033 1 U 1.67e+06 0 e 0 0 0 0
>> 206 116.000 8.855 8.035 1 U 1.05e+05 0 e 0 0 0 0
>> 207 116.000 7.378 8.033 1 U 2.19e+05 0 e 0 0 0 0
>> 208 116.000 7.578 8.028 1 U 3.53e+04 0 e 0 0 0 0
>> 209 116.000 4.311 8.032 1 U 1.58e+05 0 e 0 0 0 0
>> 210 116.000 3.995 8.033 1 U 6.95e+04 0 e 0 0 0 0
>> 211 116.000 2.943 8.031 1 U 6.97e+04 0 e 0 0 0 0
>> 212 116.000 2.565 8.032 1 U 2.36e+04 0 e 0 0 0 0
>> 213 116.000 1.698 8.032 1 U 2.41e+05 0 e 0 0 0 0
>> 214 116.000 1.917 8.032 1 U 1.68e+05 0 e 0 0 0 0
>> 215 116.000 2.046 8.033 1 U 1.14e+05 0 e 0 0 0 0
>> 216 124.056 7.390 7.393 1 U 1.44e+06 0 e 0 0 0 0
>> 217 124.056 8.035 7.394 1 U 2.61e+05 0 e 0 0 0 0
>> 218 124.056 8.530 7.394 1 U 2.25e+04 0 e 0 0 0 0
>> 219 124.056 4.323 7.392 1 U 9.16e+04 0 e 0 0 0 0
>> 220 124.056 3.965 7.394 1 U 2.97e+04 0 e 0 0 0 0
>> 221 124.056 3.757 7.393 1 U 1.23e+05 0 e 0 0 0 0
>> 222 124.056 2.955 7.395 1 U 4.33e+05 0 e 0 0 0 0
>> 223 124.056 2.550 7.394 1 U 2.62e+05 0 e 0 0 0 0
>> 224 124.056 1.680 7.394 1 U 5.38e+04 0 e 0 0 0 0
>> 225 124.056 1.935 7.392 1 U 3.62e+04 0 e 0 0 0 0
>> 226 124.056 2.032 7.392 1 U 3.32e+04 0 e 0 0 0 0
>> 227 126.340 8.550 8.542 1 U 1.31e+06 0 e 0 0 0 0
>> 228 126.340 8.966 8.543 1 U 1.62e+05 0 e 0 0 0 0
>> 229 126.340 7.375 8.543 1 U 4.43e+04 0 e 0 0 0 0
>> 230 126.340 7.270 8.544 1 U 3e+04 0 e 0 0 0 0
>> 231 126.340 4.036 8.542 1 U 1.17e+05 0 e 0 0 0 0
>> 232 126.340 3.746 8.542 1 U 3.98e+05 0 e 0 0 0 0
>> 233 126.340 2.952 8.543 1 U 1.07e+05 0 e 0 0 0 0
>> 234 126.340 2.541 8.542 1 U 3.88e+04 0 e 0 0 0 0
>> 235 126.340 1.692 8.542 1 U 2.19e+05 0 e 0 0 0 0
>> 236 126.340 1.595 8.542 1 U 2.36e+05 0 e 0 0 0 0
>> 237 122.078 8.960 8.963 1 U 1.24e+06 0 e 0 0 0 0
>> 238 122.078 8.524 8.962 1 U 1.97e+05 0 e 0 0 0 0
>> 239 122.078 7.504 8.966 1 U 5.4e+04 0 e 0 0 0 0
>> 240 122.078 7.384 8.962 1 U 6.84e+04 0 e 0 0 0 0
>> 241 122.078 4.806 8.966 1 U 8.25e+04 0 e 0 0 0 0
>> 242 122.078 4.036 8.967 1 U 4.99e+04 0 e 0 0 0 0
>> 243 122.078 3.731 8.963 1 U 6.16e+04 0 e 0 0 0 0
>> 244 122.078 3.376 8.962 1 U 8.77e+04 0 e 0 0 0 0
>> 245 122.078 3.122 8.962 1 U 1.7e+05 0 e 0 0 0 0
>> 246 122.078 2.940 8.963 1 U 4.4e+04 0 e 0 0 0 0
>> 247 122.078 2.547 8.962 1 U 4.08e+04 0 e 0 0 0 0
>> 248 122.078 1.689 8.964 1 U 5.6e+04 0 e 0 0 0 0
>> 249 122.078 1.598 8.962 1 U 5.07e+04 0 e 0 0 0 0
>> 250 118.827 8.650 8.664 1 U 7.97e+05 0 e 0 0 0 0
>> 251 118.827 8.981 8.664 1 U 6.32e+04 0 e 0 0 0 0
>> 252 118.827 8.187 8.665 1 U 3.79e+04 0 e 0 0 0 0
>> 253 118.827 7.390 8.667 1 U 2.69e+04 0 e 0 0 0 0
>> 254 118.827 4.812 8.665 1 U 1.79e+05 0 e 0 0 0 0
>> 255 118.827 4.188 8.667 1 U 8.55e+04 0 e 0 0 0 0
>> 256 118.827 3.640 8.665 1 U 8.14e+04 0 e 0 0 0 0
>> 257 118.827 3.365 8.667 1 U 1.51e+05 0 e 0 0 0 0
>> 258 118.827 3.127 8.667 1 U 1.04e+05 0 e 0 0 0 0
>> 259 118.827 1.739 8.666 1 U 1.9e+05 0 e 0 0 0 0
>> 260 118.827 0.778 8.664 1 U 2.49e+05 0 e 0 0 0 0
>> 261 126.053 8.653 8.649 1 U 1.04e+06 0 e 0 0 0 0
>> 262 126.053 4.818 8.651 1 U 7.73e+04 0 e 0 0 0 0
>> 263 126.053 3.625 8.647 1 U 3.83e+05 0 e 0 0 0 0
>> 264 126.053 3.092 8.648 1 U 3.28e+04 0 e 0 0 0 0
>> 265 126.053 2.914 8.649 1 U 1.36e+05 0 e 0 0 0 0
>> 266 126.053 2.427 8.650 1 U 9.48e+04 0 e 0 0 0 0
>> 267 126.053 1.745 8.646 1 U 3.74e+04 0 e 0 0 0 0
>> 268 126.053 0.763 8.648 1 U 1.76e+05 0 e 0 0 0 0
>> 269 110.802 7.789 7.791 1 U 1.14e+06 0 e 0 0 0 0
>> 270 110.802 8.167 7.792 1 U 7.73e+04 0 e 0 0 0 0
>> 271 110.802 8.325 7.791 1 U 4.7e+04 0 e 0 0 0 0
>> 272 110.802 4.299 7.790 1 U 3.5e+05 0 e 0 0 0 0
>> 273 110.802 2.928 7.792 1 U 2.23e+04 0 e 0 0 0 0
>> 274 110.802 2.448 7.789 1 U 3.53e+04 0 e 0 0 0 0
>> 275 110.802 2.213 7.789 1 U 3.66e+04 0 e 0 0 0 0
>> 276 110.802 1.835 7.790 1 U 8.05e+04 0 e 0 0 0 0
>> 277 110.802 1.182 7.792 1 U 7.04e+04 0 e 0 0 0 0
>> 278 121.974 8.152 8.139 1 U 2.19e+06 0 e 0 0 0 0
>> 279 121.974 4.516 8.130 1 U 3.46e+05 0 e 0 0 0 0
>> 280 121.974 4.121 8.131 1 U 1.84e+05 0 e 0 0 0 0
>> 281 121.974 2.987 8.132 1 U 6.84e+04 0 e 0 0 0 0
>> 282 121.974 2.881 8.131 1 U 7.3e+04 0 e 0 0 0 0
>> 283 121.974 1.657 8.129 1 U 1.86e+05 0 e 0 0 0 0
>> 284 121.974 1.367 8.131 1 U 4.21e+04 0 e 0 0 0 0
>> 285 121.974 1.147 8.132 1 U 9.56e+04 0 e 0 0 0 0
>> 286 121.974 1.009 8.131 1 U 5.04e+04 0 e 0 0 0 0
>> 287 121.055 8.149 8.165 1 U 3.92e+06 0 e 0 0 0 0
>> 288 121.055 4.572 8.164 1 U 3.12e+05 0 e 0 0 0 0
>> 289 121.055 4.332 8.164 1 U 1.49e+05 0 e 0 0 0 0
>> 290 121.055 2.673 8.163 1 U 1.16e+05 0 e 0 0 0 0
>> 291 121.055 1.390 8.164 1 U 6.75e+04 0 e 0 0 0 0
>> 292 121.055 1.704 8.166 1 U 1.41e+05 0 e 0 0 0 0
>> 293 121.055 1.809 8.164 1 U 1.05e+05 0 e 0 0 0 0
>> 294 127.210 8.011 8.004 1 U 5.34e+06 0 e 0 0 0 0
>> 295 127.210 4.358 8.006 1 U 2.6e+05 0 e 0 0 0 0
>> 296 127.210 4.088 8.009 1 U 8.65e+04 0 e 0 0 0 0
>> 297 127.210 1.882 8.007 1 U 1.04e+05 0 e 0 0 0 0
>> 298 128.412 1.594 9.004 1 U 4.74e+04 0 e 0 0 0 0
>> 299 110.901 4.632 8.454 1 U 6.21e+04 0 e 0 0 0 0
>> 300 110.901 8.004 8.452 1 U 3.88e+04 0 e 0 0 0 0
>> 301 128.412 8.555 9.003 1 U 3.84e+04 0 e 0 0 0 0
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Axis_code
>> _Spectral_dim.Spectrometer_frequency
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Under_sampling_type
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Sweep_width_units
>> _Spectral_dim.Value_first_point
>> _Spectral_dim.Absolute_peak_positions
>> _Spectral_dim.Acquisition
>> _Spectral_dim.Center_frequency_offset
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_reduced_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 . . N 15 N . aliased 1823.071 Hz . . . 60.777 . . 30623 2
>> 2 . . H 1 H . aliased 6597.013 Hz . . . 4.811 . . 30623 2
>> 3 . . H 1 HN . aliased 7196.833 Hz . . . 4.811 . . 30623 2
>>
>> stop_
>>
>>save_
>>
;
save_
save_spectral_peak_list_3
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-13C NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C C
2 H H
3 H H
stop_
_Sample_label $sample_1
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_spectral_peak_list_3
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode spectral_peak_list_3
>> _Spectral_peak_list.Entry_ID 30623
>> _Spectral_peak_list.ID 3
>> _Spectral_peak_list.Name .
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $sample_1
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Chem_shift_reference_ID 1
>> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
>> _Spectral_peak_list.Experiment_ID 11
>> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
>> _Spectral_peak_list.Experiment_class .
>> _Spectral_peak_list.Experiment_type .
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Chemical_shift_list .
>> _Spectral_peak_list.Assigned_chem_shift_list_ID 1
>> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>># Number of dimensions 3
>>#FORMAT xeasy3D
>>#INAME 1 C
>>#INAME 2 h
>>#INAME 3 H
>>#CYANAFORMAT ChH
>> 1 56.725 4.163 4.160 1 U 2.46e+05 0 e 0 0 0 0
>> 2 56.725 1.627 4.158 1 U 1.54e+04 0 e 0 0 0 0
>> 3 56.725 1.159 4.153 1 U 9.17e+03 0 e 0 0 0 0
>> 4 56.725 8.079 4.158 1 U 1.63e+04 0 e 0 0 0 0
>> 5 32.707 1.625 1.621 1 U 2.34e+05 0 e 0 0 0 0
>> 6 32.707 1.191 1.621 1 U 1.03e+04 0 e 0 0 0 0
>> 7 32.707 4.168 1.614 1 U 1.06e+04 0 e 0 0 0 0
>> 8 29.093 1.563 1.564 1 U 3.53e+05 0 e 0 0 0 0
>> 9 29.093 1.206 1.564 1 U 7.59e+03 0 e 0 0 0 0
>> 10 42.152 2.916 2.913 1 U 7.83e+05 0 e 0 0 0 0
>> 11 42.152 1.554 2.908 1 U 4.71e+03 0 e 0 0 0 0
>> 12 57.699 4.512 4.509 1 U 7.39e+04 0 e 0 0 0 0
>> 13 57.699 3.014 4.512 1 U 8.49e+03 0 e 0 0 0 0
>> 14 57.699 2.877 4.509 1 U 1.06e+04 0 e 0 0 0 0
>> 15 57.699 7.048 4.512 1 U 1.19e+04 0 e 0 0 0 0
>> 16 57.699 8.117 4.518 1 U 1.44e+04 0 e 0 0 0 0
>> 17 57.699 7.216 4.509 1 U 4.27e+03 0 e 0 0 0 0
>> 18 38.635 3.011 3.018 1 U 6.24e+04 0 e 0 0 0 0
>> 19 38.635 2.877 3.020 1 U 5.28e+04 0 e 0 0 0 0
>> 20 38.635 2.877 2.893 1 U 9.88e+04 0 e 0 0 0 0
>> 21 38.635 3.004 2.891 1 U 5.3e+04 0 e 0 0 0 0
>> 22 38.635 4.506 3.018 1 U 4.56e+03 0 e 0 0 0 0
>> 23 38.635 4.509 2.897 1 U 4.97e+03 0 e 0 0 0 0
>> 24 38.635 7.051 3.020 1 U 7.73e+03 0 e 0 0 0 0
>> 25 38.635 7.051 2.893 1 U 9.18e+03 0 e 0 0 0 0
>> 26 38.635 8.079 3.020 1 U 6.15e+03 0 e 0 0 0 0
>> 27 38.635 8.079 2.884 1 U 6.74e+03 0 e 0 0 0 0
>> 28 56.674 4.125 4.118 1 U 1.9e+05 0 e 0 0 0 0
>> 29 56.674 1.678 4.124 1 U 1.34e+04 0 e 0 0 0 0
>> 30 56.674 1.411 4.127 1 U 5.26e+03 0 e 0 0 0 0
>> 31 56.674 1.027 4.116 1 U 4.7e+03 0 e 0 0 0 0
>> 32 56.674 8.121 4.122 1 U 7.37e+03 0 e 0 0 0 0
>> 33 56.674 8.289 4.120 1 U 9.12e+03 0 e 0 0 0 0
>> 34 32.505 1.627 1.651 1 U 1.01e+05 0 e 0 0 0 0
>> 35 32.505 1.157 1.653 1 U 6.08e+03 0 e 0 0 0 0
>> 36 32.505 4.125 1.653 1 U 6.53e+03 0 e 0 0 0 0
>> 37 29.232 1.411 1.414 1 U 9.73e+04 0 e 0 0 0 0
>> 38 29.232 1.160 1.414 1 U 1.46e+04 0 e 0 0 0 0
>> 39 29.232 1.018 1.414 1 U 6.24e+03 0 e 0 0 0 0
>> 40 29.232 1.671 1.418 1 U 2.41e+04 0 e 0 0 0 0
>> 41 29.232 2.833 1.412 1 U 6.03e+03 0 e 0 0 0 0
>> 42 42.276 2.852 2.849 1 U 2.44e+05 0 e 0 0 0 0
>> 43 42.276 1.411 2.861 1 U 1.1e+04 0 e 0 0 0 0
>> 44 42.276 1.160 2.851 1 U 6.45e+03 0 e 0 0 0 0
>> 45 42.276 4.030 2.849 1 U 4.26e+03 0 e 0 0 0 0
>> 46 61.888 4.382 4.387 1 U 1.15e+05 0 e 0 0 0 0
>> 47 61.888 4.220 4.389 1 U 1.54e+04 0 e 0 0 0 0
>> 48 61.888 1.154 4.389 1 U 2.55e+04 0 e 0 0 0 0
>> 49 61.888 8.168 4.389 1 U 1.22e+04 0 e 0 0 0 0
>> 50 61.888 0.808 4.387 1 U 4.91e+03 0 e 0 0 0 0
>> 51 70.397 4.214 4.226 1 U 1.11e+05 0 e 0 0 0 0
>> 52 70.397 4.382 4.226 1 U 1.43e+04 0 e 0 0 0 0
>> 53 70.397 1.157 4.224 1 U 3.47e+04 0 e 0 0 0 0
>> 54 21.852 1.157 1.160 1 U 6.02e+05 0 e 0 0 0 0
>> 55 21.852 4.214 1.158 1 U 1.23e+04 0 e 0 0 0 0
>> 56 21.852 4.379 1.158 1 U 9.25e+03 0 e 0 0 0 0
>> 57 55.512 4.547 4.548 1 U 3.87e+04 0 e 0 0 0 0
>> 58 55.512 1.928 4.541 1 U 6.12e+03 0 e 0 0 0 0
>> 59 55.512 1.484 4.539 1 U 6.64e+03 0 e 0 0 0 0
>> 60 55.512 1.675 4.541 1 U 4.86e+03 0 e 0 0 0 0
>> 61 55.512 8.375 4.539 1 U 1.79e+04 0 e 0 0 0 0
>> 62 34.513 1.957 1.958 1 U 1.9e+04 0 e 0 0 0 0
>> 63 34.513 1.878 1.877 1 U 1.48e+04 0 e 0 0 0 0
>> 64 34.513 1.957 1.879 1 U 1.76e+04 0 e 0 0 0 0
>> 65 34.513 1.887 1.953 1 U 2.45e+04 0 e 0 0 0 0
>> 66 34.513 1.481 1.962 1 U 5.08e+03 0 e 0 0 0 0
>> 67 34.513 1.490 1.877 1 U 3.97e+03 0 e 0 0 0 0
>> 68 34.513 8.165 1.956 1 U 3.57e+03 0 e 0 0 0 0
>> 69 34.513 8.378 1.867 1 U 3.2e+03 0 e 0 0 0 0
>> 70 29.318 1.690 1.691 1 U 4.56e+05 0 e 0 0 0 0
>> 71 42.228 1.671 2.950 1 U 5.22e+03 0 e 0 0 0 0
>> 72 42.228 2.957 2.954 1 U 9.31e+05 0 e 0 0 0 0
>> 73 24.880 1.516 1.518 1 U 4.08e+04 0 e 0 0 0 0
>> 74 24.880 1.471 1.469 1 U 4.43e+04 0 e 0 0 0 0
>> 75 24.880 1.513 1.469 1 U 4.44e+04 0 e 0 0 0 0
>> 76 24.880 1.478 1.515 1 U 3.48e+04 0 e 0 0 0 0
>> 77 24.880 1.668 1.515 1 U 2.14e+04 0 e 0 0 0 0
>> 78 24.880 1.668 1.471 1 U 2.94e+04 0 e 0 0 0 0
>> 79 55.603 4.207 4.198 1 U 3.91e+04 0 e 0 0 0 0
>> 80 55.603 1.589 4.207 1 U 6.98e+03 0 e 0 0 0 0
>> 81 55.603 1.754 4.205 1 U 2.08e+04 0 e 0 0 0 0
>> 82 55.603 1.503 4.203 1 U 8.23e+03 0 e 0 0 0 0
>> 83 55.603 0.859 4.201 1 U 1.53e+04 0 e 0 0 0 0
>> 84 55.603 0.786 4.203 1 U 7.9e+03 0 e 0 0 0 0
>> 85 55.603 9.006 4.205 1 U 1.47e+04 0 e 0 0 0 0
>> 86 55.603 8.676 4.205 1 U 3.45e+03 0 e 0 0 0 0
>> 87 55.603 8.375 4.207 1 U 4.3e+03 0 e 0 0 0 0
>> 88 42.782 1.589 1.598 1 U 5.9e+04 0 e 0 0 0 0
>> 89 42.782 1.500 1.598 1 U 3.53e+04 0 e 0 0 0 0
>> 90 42.782 1.497 1.503 1 U 3.8e+04 0 e 0 0 0 0
>> 91 42.782 1.589 1.507 1 U 3.69e+04 0 e 0 0 0 0
>> 92 42.782 1.754 1.602 1 U 1.32e+04 0 e 0 0 0 0
>> 93 42.782 1.751 1.509 1 U 1.07e+04 0 e 0 0 0 0
>> 94 42.782 0.827 1.602 1 U 9.95e+03 0 e 0 0 0 0
>> 95 42.782 0.824 1.501 1 U 7.75e+03 0 e 0 0 0 0
>> 96 42.782 8.375 1.606 1 U 4.82e+03 0 e 0 0 0 0
>> 97 42.782 8.371 1.511 1 U 6.67e+03 0 e 0 0 0 0
>> 98 25.115 0.802 0.807 1 U 2.31e+05 0 e 0 0 0 0
>> 99 25.115 1.497 0.805 1 U 5.89e+03 0 e 0 0 0 0
>> 100 25.115 1.459 0.805 1 U 5.22e+03 0 e 0 0 0 0
>> 101 25.115 1.582 0.805 1 U 4.12e+03 0 e 0 0 0 0
>> 102 23.518 0.862 0.864 1 U 6.54e+05 0 e 0 0 0 0
>> 103 23.518 1.589 0.868 1 U 5.42e+03 0 e 0 0 0 0
>> 104 23.518 1.754 0.868 1 U 1.17e+04 0 e 0 0 0 0
>> 105 23.518 3.087 0.862 1 U 4.48e+03 0 e 0 0 0 0
>> 106 23.518 4.201 0.868 1 U 7.04e+03 0 e 0 0 0 0
>> 107 23.518 9.022 0.864 1 U 3.81e+03 0 e 0 0 0 0
>> 108 26.316 1.760 1.752 1 U 4.01e+04 0 e 0 0 0 0
>> 109 26.316 1.598 1.752 1 U 1.39e+04 0 e 0 0 0 0
>> 110 26.316 1.497 1.750 1 U 1.05e+04 0 e 0 0 0 0
>> 111 26.316 0.846 1.750 1 U 5.05e+03 0 e 0 0 0 0
>> 112 31.829 3.319 3.316 1 U 1.18e+04 0 e 0 0 0 0
>> 113 31.829 3.173 3.316 1 U 1.33e+04 0 e 0 0 0 0
>> 114 31.829 3.173 3.172 1 U 1.48e+04 0 e 0 0 0 0
>> 115 31.829 3.312 3.176 1 U 1.26e+04 0 e 0 0 0 0
>> 116 31.829 6.829 3.316 1 U 9.97e+03 0 e 0 0 0 0
>> 117 31.829 6.829 3.172 1 U 9.99e+03 0 e 0 0 0 0
>> 118 31.829 9.003 3.329 1 U 4.2e+03 0 e 0 0 0 0
>> 119 31.829 9.006 3.176 1 U 5.81e+03 0 e 0 0 0 0
>> 120 58.960 4.042 4.040 1 U 1.28e+05 0 e 0 0 0 0
>> 121 58.960 1.808 4.044 1 U 1.48e+04 0 e 0 0 0 0
>> 122 58.960 1.760 4.042 1 U 1.59e+04 0 e 0 0 0 0
>> 123 58.960 1.456 4.044 1 U 1.63e+04 0 e 0 0 0 0
>> 124 58.960 8.549 4.042 1 U 7.47e+03 0 e 0 0 0 0
>> 125 31.816 1.827 1.824 1 U 2.86e+04 0 e 0 0 0 0
>> 126 31.816 1.770 1.772 1 U 3.96e+04 0 e 0 0 0 0
>> 127 31.816 1.770 1.822 1 U 4.07e+04 0 e 0 0 0 0
>> 128 31.816 1.833 1.776 1 U 2.4e+04 0 e 0 0 0 0
>> 129 31.816 1.440 1.824 1 U 4.13e+03 0 e 0 0 0 0
>> 130 31.816 1.433 1.774 1 U 4.1e+03 0 e 0 0 0 0
>> 131 31.816 1.290 1.772 1 U 4.34e+03 0 e 0 0 0 0
>> 132 31.816 1.290 1.816 1 U 4.45e+03 0 e 0 0 0 0
>> 133 31.816 4.039 1.820 1 U 1.08e+04 0 e 0 0 0 0
>> 134 31.816 4.036 1.774 1 U 1e+04 0 e 0 0 0 0
>> 135 31.816 8.549 1.831 1 U 5.34e+03 0 e 0 0 0 0
>> 136 31.816 8.549 1.769 1 U 6.01e+03 0 e 0 0 0 0
>> 137 29.212 1.621 1.619 1 U 2.78e+05 0 e 0 0 0 0
>> 138 29.212 1.287 1.617 1 U 1.25e+04 0 e 0 0 0 0
>> 139 29.212 2.960 1.617 1 U 7.77e+03 0 e 0 0 0 0
>> 140 56.076 4.642 4.636 1 U 2.18e+04 0 e 0 0 0 0
>> 141 56.076 2.630 4.634 1 U 8.1e+03 0 e 0 0 0 0
>> 142 56.076 2.528 4.634 1 U 9.38e+03 0 e 0 0 0 0
>> 143 56.076 1.417 4.634 1 U 5.94e+03 0 e 0 0 0 0
>> 144 56.076 8.467 4.641 1 U 7.71e+03 0 e 0 0 0 0
>> 145 38.304 2.655 2.647 1 U 2.78e+04 0 e 0 0 0 0
>> 146 38.304 2.531 2.645 1 U 2.45e+04 0 e 0 0 0 0
>> 147 38.304 2.528 2.537 1 U 2.54e+04 0 e 0 0 0 0
>> 148 38.304 2.649 2.537 1 U 2.06e+04 0 e 0 0 0 0
>> 149 38.304 2.874 2.662 1 U 4.66e+03 0 e 0 0 0 0
>> 150 38.304 2.877 2.533 1 U 3.63e+03 0 e 0 0 0 0
>> 151 38.304 7.432 2.645 1 U 6.61e+03 0 e 0 0 0 0
>> 152 38.304 7.432 2.542 1 U 4.4e+03 0 e 0 0 0 0
>> 153 38.304 8.333 2.650 1 U 4.83e+03 0 e 0 0 0 0
>> 154 38.304 8.333 2.544 1 U 4.68e+03 0 e 0 0 0 0
>> 155 58.091 4.506 4.503 1 U 8.55e+04 0 e 0 0 0 0
>> 156 58.091 3.357 4.493 1 U 8.22e+03 0 e 0 0 0 0
>> 157 58.091 2.627 4.488 1 U 7.16e+03 0 e 0 0 0 0
>> 158 58.091 7.054 4.503 1 U 1.21e+04 0 e 0 0 0 0
>> 159 58.091 8.092 4.501 1 U 1.21e+04 0 e 0 0 0 0
>> 160 58.091 7.226 4.503 1 U 6.61e+03 0 e 0 0 0 0
>> 161 40.130 3.369 3.375 1 U 3.05e+04 0 e 0 0 0 0
>> 162 40.130 2.627 3.369 1 U 2.14e+04 0 e 0 0 0 0
>> 163 40.130 2.627 2.637 1 U 1.94e+04 0 e 0 0 0 0
>> 164 40.130 3.363 2.635 1 U 1.92e+04 0 e 0 0 0 0
>> 165 40.130 1.840 3.363 1 U 4.11e+03 0 e 0 0 0 0
>> 166 40.130 4.471 2.635 1 U 3.66e+03 0 e 0 0 0 0
>> 167 40.130 7.083 3.373 1 U 7.69e+03 0 e 0 0 0 0
>> 168 40.130 7.086 2.637 1 U 6.45e+03 0 e 0 0 0 0
>> 169 40.130 8.063 3.373 1 U 3.59e+03 0 e 0 0 0 0
>> 170 40.130 8.070 2.643 1 U 4.21e+03 0 e 0 0 0 0
>> 171 51.606 4.382 4.378 1 U 7.72e+04 0 e 0 0 0 0
>> 172 51.606 1.459 4.378 1 U 2.54e+04 0 e 0 0 0 0
>> 173 51.606 0.805 4.376 1 U 6.38e+03 0 e 0 0 0 0
>> 174 51.606 7.222 4.380 1 U 7.59e+03 0 e 0 0 0 0
>> 175 51.606 8.422 4.378 1 U 7.72e+03 0 e 0 0 0 0
>> 176 19.913 1.452 1.454 1 U 1.89e+05 0 e 0 0 0 0
>> 177 19.913 4.039 1.448 1 U 5.06e+03 0 e 0 0 0 0
>> 178 19.913 4.382 1.446 1 U 6.25e+03 0 e 0 0 0 0
>> 179 19.913 7.219 1.452 1 U 5.56e+03 0 e 0 0 0 0
>> 180 58.442 4.115 4.110 1 U 2.39e+05 0 e 0 0 0 0
>> 181 58.442 1.817 4.107 1 U 1.05e+04 0 e 0 0 0 0
>> 182 58.442 1.763 4.103 1 U 9.54e+03 0 e 0 0 0 0
>> 183 58.442 1.589 4.099 1 U 6.59e+03 0 e 0 0 0 0
>> 184 58.442 1.716 4.103 1 U 9.26e+03 0 e 0 0 0 0
>> 185 58.442 8.413 4.112 1 U 5.72e+03 0 e 0 0 0 0
>> 186 29.599 1.763 1.778 1 U 2.95e+04 0 e 0 0 0 0
>> 187 29.599 1.817 1.772 1 U 3.05e+04 0 e 0 0 0 0
>> 188 29.599 1.840 1.827 1 U 874 0 e 0 0 0 0
>> 189 29.599 1.757 1.824 1 U 3.3e+04 0 e 0 0 0 0
>> 190 29.599 1.595 1.827 1 U 1.76e+04 0 e 0 0 0 0
>> 191 29.599 1.589 1.776 1 U 2.07e+04 0 e 0 0 0 0
>> 192 29.599 1.700 1.824 1 U 2.19e+04 0 e 0 0 0 0
>> 193 29.599 1.697 1.780 1 U 2.08e+04 0 e 0 0 0 0
>> 194 43.324 3.217 3.219 1 U 4.43e+05 0 e 0 0 0 0
>> 195 43.324 1.805 3.215 1 U 6.03e+03 0 e 0 0 0 0
>> 196 43.324 1.586 3.212 1 U 8.05e+03 0 e 0 0 0 0
>> 197 43.324 1.757 3.215 1 U 6.25e+03 0 e 0 0 0 0
>> 198 43.324 1.659 3.215 1 U 6.09e+03 0 e 0 0 0 0
>> 199 27.086 1.582 1.600 1 U 1.29e+05 0 e 0 0 0 0
>> 200 27.086 1.713 1.606 1 U 3.94e+04 0 e 0 0 0 0
>> 201 27.086 1.716 1.716 1 U 6.43e+04 0 e 0 0 0 0
>> 202 27.086 1.592 1.706 1 U 4e+04 0 e 0 0 0 0
>> 203 27.086 1.840 1.604 1 U 1.72e+04 0 e 0 0 0 0
>> 204 27.086 1.843 1.714 1 U 1.56e+04 0 e 0 0 0 0
>> 205 27.086 1.773 1.714 1 U 3.45e+04 0 e 0 0 0 0
>> 206 27.086 1.779 1.604 1 U 2.6e+04 0 e 0 0 0 0
>> 207 27.086 3.217 1.712 1 U 5.71e+03 0 e 0 0 0 0
>> 208 27.086 3.220 1.606 1 U 4.99e+03 0 e 0 0 0 0
>> 209 45.262 4.096 4.095 1 U 3.3e+04 0 e 0 0 0 0
>> 210 45.262 3.763 3.769 1 U 3.6e+04 0 e 0 0 0 0
>> 211 45.262 4.096 3.765 1 U 3.28e+04 0 e 0 0 0 0
>> 212 45.262 3.766 4.103 1 U 2.93e+04 0 e 0 0 0 0
>> 213 45.262 8.381 4.156 1 U 5.68e+03 0 e 0 0 0 0
>> 214 45.262 8.378 3.739 1 U 8.87e+03 0 e 0 0 0 0
>> 215 45.262 8.470 3.737 1 U 5.48e+03 0 e 0 0 0 0
>> 216 45.262 8.463 4.158 1 U 4.22e+03 0 e 0 0 0 0
>> 217 44.514 3.734 4.162 1 U 2.26e+04 0 e 0 0 0 0
>> 218 44.514 3.728 3.729 1 U 2.8e+04 0 e 0 0 0 0
>> 219 44.514 4.160 3.731 1 U 2.05e+04 0 e 0 0 0 0
>> 220 44.514 4.156 4.165 1 U 2.07e+04 0 e 0 0 0 0
>> 221 44.514 8.378 4.160 1 U 8.21e+03 0 e 0 0 0 0
>> 222 44.514 8.470 4.158 1 U 4.93e+03 0 e 0 0 0 0
>> 223 44.514 8.378 3.737 1 U 1.15e+04 0 e 0 0 0 0
>> 224 44.514 8.467 3.733 1 U 5.78e+03 0 e 0 0 0 0
>> 225 62.854 4.166 4.169 1 U 1.28e+05 0 e 0 0 0 0
>> 226 62.854 4.302 4.171 1 U 1.85e+04 0 e 0 0 0 0
>> 227 62.854 8.486 4.173 1 U 6.98e+03 0 e 0 0 0 0
>> 228 62.854 1.284 4.175 1 U 1.84e+04 0 e 0 0 0 0
>> 229 70.135 4.299 4.296 1 U 2.25e+05 0 e 0 0 0 0
>> 230 70.135 4.176 4.298 1 U 2.23e+04 0 e 0 0 0 0
>> 231 70.135 8.168 4.296 1 U 4.67e+03 0 e 0 0 0 0
>> 232 70.135 1.294 4.292 1 U 2.68e+04 0 e 0 0 0 0
>> 233 21.879 1.297 1.302 1 U 3.75e+05 0 e 0 0 0 0
>> 234 21.879 1.189 1.304 1 U 4.72e+04 0 e 0 0 0 0
>> 235 21.879 4.172 1.306 1 U 1.13e+04 0 e 0 0 0 0
>> 236 21.879 4.299 1.304 1 U 1.41e+04 0 e 0 0 0 0
>> 237 21.879 8.470 1.306 1 U 6.01e+03 0 e 0 0 0 0
>> 238 45.457 3.868 3.877 1 U 8.9e+04 0 e 0 0 0 0
>> 239 45.457 3.090 3.879 1 U 4.03e+04 0 e 0 0 0 0
>> 240 45.457 7.308 3.887 1 U 4.02e+03 0 e 0 0 0 0
>> 241 45.457 8.511 3.883 1 U 1.35e+04 0 e 0 0 0 0
>> 242 56.788 4.385 4.389 1 U 8e+04 0 e 0 0 0 0
>> 243 56.788 2.874 4.385 1 U 1.42e+04 0 e 0 0 0 0
>> 244 56.788 2.627 4.387 1 U 7.06e+03 0 e 0 0 0 0
>> 245 56.788 7.041 4.393 1 U 5.87e+03 0 e 0 0 0 0
>> 246 56.788 8.206 4.391 1 U 2.15e+04 0 e 0 0 0 0
>> 247 45.457 3.874 3.105 1 U 3.85e+04 0 e 0 0 0 0
>> 248 45.457 3.090 3.100 1 U 3.2e+04 0 e 0 0 0 0
>> 249 45.457 8.501 3.105 1 U 1.14e+04 0 e 0 0 0 0
>> 250 41.149 2.881 2.876 1 U 5.06e+04 0 e 0 0 0 0
>> 251 41.149 2.639 2.878 1 U 3.12e+04 0 e 0 0 0 0
>> 252 41.149 2.636 2.647 1 U 4.72e+04 0 e 0 0 0 0
>> 253 41.149 2.874 2.645 1 U 4.23e+04 0 e 0 0 0 0
>> 254 41.149 4.382 2.876 1 U 5.55e+03 0 e 0 0 0 0
>> 255 41.149 4.382 2.650 1 U 4.56e+03 0 e 0 0 0 0
>> 256 41.149 7.051 2.643 1 U 7.97e+03 0 e 0 0 0 0
>> 257 41.149 7.041 2.870 1 U 3.97e+03 0 e 0 0 0 0
>> 258 41.149 7.308 2.872 1 U 3.82e+03 0 e 0 0 0 0
>> 259 32.536 2.842 2.859 1 U 1.96e+04 0 e 0 0 0 0
>> 260 32.536 2.446 2.857 1 U 2.11e+04 0 e 0 0 0 0
>> 261 32.536 2.446 2.457 1 U 2.09e+04 0 e 0 0 0 0
>> 262 32.536 2.846 2.459 1 U 1.78e+04 0 e 0 0 0 0
>> 263 32.536 8.117 2.859 1 U 5.47e+03 0 e 0 0 0 0
>> 264 32.536 8.209 2.859 1 U 6.86e+03 0 e 0 0 0 0
>> 265 32.536 8.213 2.466 1 U 4.61e+03 0 e 0 0 0 0
>> 266 32.536 7.435 2.451 1 U 4.16e+03 0 e 0 0 0 0
>> 267 32.536 7.134 2.868 1 U 3.41e+03 0 e 0 0 0 0
>> 268 31.825 3.734 3.318 1 U 4.19e+03 0 e 0 0 0 0
>> 269 31.825 7.092 3.310 1 U 3.74e+03 0 e 0 0 0 0
>> 270 63.771 4.207 4.205 1 U 8.98e+04 0 e 0 0 0 0
>> 271 63.771 2.230 4.205 1 U 1.5e+04 0 e 0 0 0 0
>> 272 63.771 1.595 4.201 1 U 1.03e+04 0 e 0 0 0 0
>> 273 63.771 7.257 4.196 1 U 1.07e+04 0 e 0 0 0 0
>> 274 32.094 1.589 1.619 1 U 4.07e+04 0 e 0 0 0 0
>> 275 32.094 2.217 1.611 1 U 2.14e+04 0 e 0 0 0 0
>> 276 32.094 2.220 2.220 1 U 9.31e+04 0 e 0 0 0 0
>> 277 32.094 1.589 2.220 1 U 2.12e+04 0 e 0 0 0 0
>> 278 32.094 1.329 2.220 1 U 4.56e+03 0 e 0 0 0 0
>> 279 32.094 1.329 1.617 1 U 7.95e+03 0 e 0 0 0 0
>> 280 32.094 4.172 1.611 1 U 4.61e+03 0 e 0 0 0 0
>> 281 32.094 4.195 2.214 1 U 8.63e+03 0 e 0 0 0 0
>> 282 32.094 4.302 2.220 1 U 7.28e+03 0 e 0 0 0 0
>> 283 51.661 3.912 3.919 1 U 3.02e+04 0 e 0 0 0 0
>> 284 51.661 3.525 3.921 1 U 3.05e+04 0 e 0 0 0 0
>> 285 51.661 3.522 3.530 1 U 3.84e+04 0 e 0 0 0 0
>> 286 51.661 3.909 3.526 1 U 2.93e+04 0 e 0 0 0 0
>> 287 51.661 1.862 3.921 1 U 7.2e+03 0 e 0 0 0 0
>> 288 51.661 1.325 3.928 1 U 6.54e+03 0 e 0 0 0 0
>> 289 51.661 1.325 3.526 1 U 8.43e+03 0 e 0 0 0 0
>> 290 51.661 1.862 3.532 1 U 8.26e+03 0 e 0 0 0 0
>> 291 51.661 7.435 3.523 1 U 5.64e+03 0 e 0 0 0 0
>> 292 51.661 7.645 3.917 1 U 4.4e+03 0 e 0 0 0 0
>> 293 51.661 8.165 3.925 1 U 3.6e+03 0 e 0 0 0 0
>> 294 26.285 1.855 1.869 1 U 5.8e+04 0 e 0 0 0 0
>> 295 26.285 1.329 1.871 1 U 2.45e+04 0 e 0 0 0 0
>> 296 26.285 1.332 1.329 1 U 2.8e+04 0 e 0 0 0 0
>> 297 26.285 1.865 1.329 1 U 1.89e+04 0 e 0 0 0 0
>> 298 26.285 2.217 1.875 1 U 7.4e+03 0 e 0 0 0 0
>> 299 26.285 2.205 1.325 1 U 3.55e+03 0 e 0 0 0 0
>> 300 26.285 3.522 1.871 1 U 5.55e+03 0 e 0 0 0 0
>> 301 26.285 3.909 1.871 1 U 4.56e+03 0 e 0 0 0 0
>> 302 26.285 3.909 1.321 1 U 3.99e+03 0 e 0 0 0 0
>> 303 59.010 4.483 4.474 1 U 7.77e+04 0 e 0 0 0 0
>> 304 59.010 2.960 4.476 1 U 1.49e+04 0 e 0 0 0 0
>> 305 59.010 2.912 4.474 1 U 1.46e+04 0 e 0 0 0 0
>> 306 59.010 3.265 4.476 1 U 4.31e+03 0 e 0 0 0 0
>> 307 59.010 2.608 4.486 1 U 5.19e+03 0 e 0 0 0 0
>> 308 59.010 8.159 4.480 1 U 5.63e+03 0 e 0 0 0 0
>> 309 59.010 7.305 4.488 1 U 1.09e+04 0 e 0 0 0 0
>> 310 59.010 7.232 4.488 1 U 4.88e+03 0 e 0 0 0 0
>> 311 59.010 7.083 4.493 1 U 4.7e+03 0 e 0 0 0 0
>> 312 38.040 2.925 2.935 1 U 7.68e+04 0 e 0 0 0 0
>> 313 38.040 3.747 2.939 1 U 7.12e+03 0 e 0 0 0 0
>> 314 38.040 2.582 2.933 1 U 4.46e+03 0 e 0 0 0 0
>> 315 38.040 4.474 2.948 1 U 6.84e+03 0 e 0 0 0 0
>> 316 38.040 7.295 2.944 1 U 8.83e+03 0 e 0 0 0 0
>> 317 38.040 8.159 2.942 1 U 9.74e+03 0 e 0 0 0 0
>> 318 47.381 3.998 4.012 1 U 1.41e+05 0 e 0 0 0 0
>> 319 47.381 1.681 4.012 1 U 4.73e+03 0 e 0 0 0 0
>> 320 47.381 7.645 4.012 1 U 3.02e+04 0 e 0 0 0 0
>> 321 47.381 8.044 4.016 1 U 6.14e+03 0 e 0 0 0 0
>> 322 47.381 8.117 4.016 1 U 6.98e+03 0 e 0 0 0 0
>> 323 47.381 8.851 4.014 1 U 2.19e+04 0 e 0 0 0 0
>> 324 56.546 4.220 4.228 1 U 1.69e+05 0 e 0 0 0 0
>> 325 56.546 1.757 4.228 1 U 1.49e+04 0 e 0 0 0 0
>> 326 56.546 1.678 4.228 1 U 1.75e+04 0 e 0 0 0 0
>> 327 56.546 0.932 4.226 1 U 2.07e+04 0 e 0 0 0 0
>> 328 56.546 8.041 4.228 1 U 5.01e+03 0 e 0 0 0 0
>> 329 56.546 7.391 4.224 1 U 3.68e+03 0 e 0 0 0 0
>> 330 56.546 8.987 4.234 1 U 3.95e+03 0 e 0 0 0 0
>> 331 41.919 1.744 1.738 1 U 2.31e+04 0 e 0 0 0 0
>> 332 41.919 1.671 1.664 1 U 2.95e+04 0 e 0 0 0 0
>> 333 41.919 1.735 1.668 1 U 3.49e+04 0 e 0 0 0 0
>> 334 41.919 1.678 1.742 1 U 4.04e+04 0 e 0 0 0 0
>> 335 41.919 0.948 1.740 1 U 1.35e+04 0 e 0 0 0 0
>> 336 41.919 0.945 1.670 1 U 1.33e+04 0 e 0 0 0 0
>> 337 41.919 4.210 1.740 1 U 5.79e+03 0 e 0 0 0 0
>> 338 41.919 4.207 1.681 1 U 8.26e+03 0 e 0 0 0 0
>> 339 41.919 8.854 1.729 1 U 4.05e+03 0 e 0 0 0 0
>> 340 41.919 8.857 1.666 1 U 4.4e+03 0 e 0 0 0 0
>> 341 25.221 0.948 0.963 1 U 4.15e+05 0 e 0 0 0 0
>> 342 25.221 1.154 0.967 1 U 8.42e+03 0 e 0 0 0 0
>> 343 25.221 1.671 0.965 1 U 9.44e+03 0 e 0 0 0 0
>> 344 25.221 1.776 0.963 1 U 5.18e+03 0 e 0 0 0 0
>> 345 23.091 0.938 0.927 1 U 4.63e+05 0 e 0 0 0 0
>> 346 23.091 1.665 0.929 1 U 7.36e+03 0 e 0 0 0 0
>> 347 23.091 1.782 0.927 1 U 9.52e+03 0 e 0 0 0 0
>> 348 23.091 4.207 0.934 1 U 1.16e+04 0 e 0 0 0 0
>> 349 27.212 1.782 1.780 1 U 7e+04 0 e 0 0 0 0
>> 350 27.212 0.954 1.786 1 U 5.52e+03 0 e 0 0 0 0
>> 351 27.212 4.210 1.778 1 U 3.56e+03 0 e 0 0 0 0
>> 352 55.389 4.337 4.330 1 U 1.38e+05 0 e 0 0 0 0
>> 353 55.389 2.065 4.340 1 U 1.17e+04 0 e 0 0 0 0
>> 354 55.389 1.932 4.334 1 U 7.86e+03 0 e 0 0 0 0
>> 355 55.389 1.681 4.338 1 U 1.21e+04 0 e 0 0 0 0
>> 356 55.389 7.394 4.344 1 U 4.75e+03 0 e 0 0 0 0
>> 357 55.389 8.032 4.342 1 U 1.12e+04 0 e 0 0 0 0
>> 358 29.905 2.062 2.074 1 U 3.83e+04 0 e 0 0 0 0
>> 359 29.905 1.935 2.078 1 U 2.67e+04 0 e 0 0 0 0
>> 360 29.905 1.922 1.937 1 U 2.83e+04 0 e 0 0 0 0
>> 361 29.905 2.062 1.934 1 U 2.9e+04 0 e 0 0 0 0
>> 362 29.905 1.709 2.078 1 U 1.07e+04 0 e 0 0 0 0
>> 363 29.905 1.706 1.930 1 U 1.15e+04 0 e 0 0 0 0
>> 364 29.905 4.341 2.070 1 U 6.46e+03 0 e 0 0 0 0
>> 365 29.905 4.341 1.941 1 U 4.44e+03 0 e 0 0 0 0
>> 366 29.905 8.038 2.076 1 U 5.35e+03 0 e 0 0 0 0
>> 367 29.905 8.035 1.934 1 U 4.57e+03 0 e 0 0 0 0
>> 368 43.225 3.261 3.259 1 U 2.36e+05 0 e 0 0 0 0
>> 369 43.225 2.059 3.255 1 U 5.46e+03 0 e 0 0 0 0
>> 370 43.225 1.935 3.255 1 U 6.45e+03 0 e 0 0 0 0
>> 371 43.225 1.713 3.251 1 U 1.07e+04 0 e 0 0 0 0
>> 372 27.548 1.719 1.729 1 U 7.84e+04 0 e 0 0 0 0
>> 373 27.548 1.671 1.672 1 U 1.2e+05 0 e 0 0 0 0
>> 374 27.548 1.719 1.676 1 U 6.59e+04 0 e 0 0 0 0
>> 375 27.548 1.681 1.725 1 U 7.17e+04 0 e 0 0 0 0
>> 376 27.548 2.059 1.729 1 U 8.4e+03 0 e 0 0 0 0
>> 377 27.548 2.055 1.674 1 U 7.57e+03 0 e 0 0 0 0
>> 378 27.548 3.227 1.731 1 U 6.03e+03 0 e 0 0 0 0
>> 379 27.548 3.227 1.672 1 U 3.72e+03 0 e 0 0 0 0
>> 380 27.548 4.337 1.731 1 U 3.41e+03 0 e 0 0 0 0
>> 381 27.548 4.337 1.664 1 U 3.25e+03 0 e 0 0 0 0
>> 382 27.548 8.035 1.733 1 U 3.75e+03 0 e 0 0 0 0
>> 383 27.548 8.029 1.666 1 U 4.26e+03 0 e 0 0 0 0
>> 384 61.627 3.750 3.752 1 U 7.48e+04 0 e 0 0 0 0
>> 385 61.627 2.960 3.756 1 U 1.72e+04 0 e 0 0 0 0
>> 386 61.627 2.582 3.756 1 U 7.7e+03 0 e 0 0 0 0
>> 387 61.627 7.394 3.748 1 U 8.44e+03 0 e 0 0 0 0
>> 388 61.627 8.555 3.754 1 U 4.09e+04 0 e 0 0 0 0
>> 389 61.564 3.731 3.727 1 U 5.61e+04 0 e 0 0 0 0
>> 390 61.564 3.392 3.722 1 U 7.33e+03 0 e 0 0 0 0
>> 391 61.564 3.322 3.722 1 U 5.75e+03 0 e 0 0 0 0
>> 392 61.564 3.147 3.727 1 U 1.06e+04 0 e 0 0 0 0
>> 393 61.564 1.754 3.733 1 U 3.75e+03 0 e 0 0 0 0
>> 394 61.564 1.586 3.739 1 U 3.46e+03 0 e 0 0 0 0
>> 395 61.564 9.003 3.724 1 U 3.36e+03 0 e 0 0 0 0
>> 396 61.564 8.549 3.720 1 U 2.92e+04 0 e 0 0 0 0
>> 397 30.784 2.969 2.978 1 U 3.82e+04 0 e 0 0 0 0
>> 398 30.784 2.570 2.978 1 U 2.39e+04 0 e 0 0 0 0
>> 399 30.784 2.570 2.569 1 U 2.84e+04 0 e 0 0 0 0
>> 400 30.784 2.973 2.569 1 U 2.8e+04 0 e 0 0 0 0
>> 401 30.784 3.738 2.973 1 U 7.15e+03 0 e 0 0 0 0
>> 402 30.784 3.741 2.576 1 U 4.42e+03 0 e 0 0 0 0
>> 403 30.784 7.394 2.982 1 U 1.32e+04 0 e 0 0 0 0
>> 404 30.784 7.397 2.576 1 U 1.2e+04 0 e 0 0 0 0
>> 405 30.784 8.121 2.573 1 U 3.37e+03 0 e 0 0 0 0
>> 406 57.384 4.042 4.042 1 U 1.47e+05 0 e 0 0 0 0
>> 407 57.384 3.747 4.044 1 U 3.92e+03 0 e 0 0 0 0
>> 408 57.384 1.630 4.042 1 U 1.21e+04 0 e 0 0 0 0
>> 409 57.384 1.725 4.038 1 U 7.77e+03 0 e 0 0 0 0
>> 410 57.384 6.791 4.050 1 U 3.71e+03 0 e 0 0 0 0
>> 411 57.384 8.549 4.048 1 U 9.92e+03 0 e 0 0 0 0
>> 412 29.731 1.617 1.619 1 U 3.04e+05 0 e 0 0 0 0
>> 413 29.731 1.548 1.560 1 U 2.91e+05 0 e 0 0 0 0
>> 414 29.731 1.621 1.564 1 U 5.56e+04 0 e 0 0 0 0
>> 415 29.731 1.557 1.617 1 U 7.15e+04 0 e 0 0 0 0
>> 416 29.731 4.033 1.571 1 U 6.37e+03 0 e 0 0 0 0
>> 417 29.731 4.042 1.628 1 U 6.1e+03 0 e 0 0 0 0
>> 418 29.731 8.552 1.554 1 U 3.82e+03 0 e 0 0 0 0
>> 419 29.731 8.552 1.617 1 U 5.08e+03 0 e 0 0 0 0
>> 420 35.986 1.725 1.736 1 U 4.89e+04 0 e 0 0 0 0
>> 421 35.986 1.551 1.738 1 U 1.57e+04 0 e 0 0 0 0
>> 422 35.986 4.036 1.736 1 U 4.1e+03 0 e 0 0 0 0
>> 423 35.986 8.552 1.736 1 U 6e+03 0 e 0 0 0 0
>> 424 39.667 3.141 3.143 1 U 3.71e+04 0 e 0 0 0 0
>> 425 39.667 3.138 3.392 1 U 1.57e+04 0 e 0 0 0 0
>> 426 39.667 3.388 3.140 1 U 1.23e+04 0 e 0 0 0 0
>> 427 39.667 3.379 3.390 1 U 1.94e+04 0 e 0 0 0 0
>> 428 39.667 3.703 3.386 1 U 2.95e+03 0 e 0 0 0 0
>> 429 39.667 3.703 3.145 1 U 4.41e+03 0 e 0 0 0 0
>> 430 39.667 7.441 3.384 1 U 7.21e+03 0 e 0 0 0 0
>> 431 39.667 7.432 3.140 1 U 5.9e+03 0 e 0 0 0 0
>> 432 39.667 7.216 3.145 1 U 3.47e+03 0 e 0 0 0 0
>> 433 39.667 8.984 3.388 1 U 4.36e+03 0 e 0 0 0 0
>> 434 39.667 8.981 3.143 1 U 6.12e+03 0 e 0 0 0 0
>> 435 63.949 3.658 3.648 1 U 4.07e+04 0 e 0 0 0 0
>> 436 63.949 1.757 3.638 1 U 4.69e+03 0 e 0 0 0 0
>> 437 63.949 0.776 3.644 1 U 2.03e+04 0 e 0 0 0 0
>> 438 63.949 8.651 3.646 1 U 2.59e+04 0 e 0 0 0 0
>> 439 33.073 1.754 1.755 1 U 6.29e+04 0 e 0 0 0 0
>> 440 33.073 0.773 1.750 1 U 1.78e+04 0 e 0 0 0 0
>> 441 33.073 4.207 1.759 1 U 9.83e+03 0 e 0 0 0 0
>> 442 33.073 3.649 1.763 1 U 3.4e+03 0 e 0 0 0 0
>> 443 33.073 8.676 1.757 1 U 6.19e+03 0 e 0 0 0 0
>> 444 22.432 0.811 0.796 1 U 1.99e+05 0 e 0 0 0 0
>> 445 22.432 0.760 0.796 1 U 1.98e+05 0 e 0 0 0 0
>> 446 22.432 1.167 0.798 1 U 7.01e+03 0 e 0 0 0 0
>> 447 22.432 1.757 0.802 1 U 1.14e+04 0 e 0 0 0 0
>> 448 22.432 1.694 0.805 1 U 4.18e+03 0 e 0 0 0 0
>> 449 22.432 3.652 0.796 1 U 7.44e+03 0 e 0 0 0 0
>> 450 22.432 8.670 0.796 1 U 6.84e+03 0 e 0 0 0 0
>> 451 21.241 0.760 0.758 1 U 2.07e+05 0 e 0 0 0 0
>> 452 21.241 0.811 0.756 1 U 3.17e+04 0 e 0 0 0 0
>> 453 21.241 1.757 0.760 1 U 9.22e+03 0 e 0 0 0 0
>> 454 21.241 3.652 0.758 1 U 5.62e+03 0 e 0 0 0 0
>> 455 21.241 8.641 0.760 1 U 5.42e+03 0 e 0 0 0 0
>> 456 29.219 2.919 2.920 1 U 4.43e+04 0 e 0 0 0 0
>> 457 29.219 2.411 2.927 1 U 1.58e+04 0 e 0 0 0 0
>> 458 29.219 2.420 2.427 1 U 1.72e+04 0 e 0 0 0 0
>> 459 29.219 2.925 2.430 1 U 1.88e+04 0 e 0 0 0 0
>> 460 29.219 8.641 2.931 1 U 5.79e+03 0 e 0 0 0 0
>> 461 63.593 4.309 4.323 1 U 7.58e+04 0 e 0 0 0 0
>> 462 63.593 4.509 4.321 1 U 3.66e+03 0 e 0 0 0 0
>> 463 63.593 2.233 4.323 1 U 1.56e+04 0 e 0 0 0 0
>> 464 63.593 1.855 4.319 1 U 1.16e+04 0 e 0 0 0 0
>> 465 63.593 7.781 4.321 1 U 1.11e+04 0 e 0 0 0 0
>> 466 32.129 2.227 1.873 1 U 2.38e+04 0 e 0 0 0 0
>> 467 32.129 1.855 1.871 1 U 7.41e+04 0 e 0 0 0 0
>> 468 3.015 1.849 2.224 1 U 1.02e+03 0 e 0 0 0 0
>> 469 32.129 3.093 1.873 1 U 3.62e+03 0 e 0 0 0 0
>> 470 50.167 3.084 3.098 1 U 3.51e+04 0 e 0 0 0 0
>> 471 50.167 3.096 2.474 1 U 2.43e+04 0 e 0 0 0 0
>> 472 50.167 2.484 2.480 1 U 2.38e+04 0 e 0 0 0 0
>> 473 50.167 2.471 3.094 1 U 1.97e+04 0 e 0 0 0 0
>> 474 50.167 1.846 3.100 1 U 1.33e+04 0 e 0 0 0 0
>> 475 50.167 1.833 2.480 1 U 1.04e+04 0 e 0 0 0 0
>> 476 50.167 0.852 3.102 1 U 5.65e+03 0 e 0 0 0 0
>> 477 27.594 1.830 1.831 1 U 1.22e+05 0 e 0 0 0 0
>> 478 27.594 2.211 1.829 1 U 1.05e+04 0 e 0 0 0 0
>> 479 27.594 2.471 1.837 1 U 6.04e+03 0 e 0 0 0 0
>> 480 27.594 3.090 1.837 1 U 7.77e+03 0 e 0 0 0 0
>> 481 61.632 4.293 4.289 1 U 1.81e+05 0 e 0 0 0 0
>> 482 61.632 1.198 4.287 1 U 2.08e+04 0 e 0 0 0 0
>> 483 61.632 7.781 4.294 1 U 5.68e+03 0 e 0 0 0 0
>> 484 61.632 8.165 4.292 1 U 1.33e+04 0 e 0 0 0 0
>> 485 61.632 8.854 4.296 1 U 3.95e+03 0 e 0 0 0 0
>> 486 69.748 4.299 4.306 1 U 2.12e+05 0 e 0 0 0 0
>> 487 69.748 1.195 4.304 1 U 2.79e+04 0 e 0 0 0 0
>> 488 69.748 8.162 4.306 1 U 5.95e+03 0 e 0 0 0 0
>> 489 21.696 1.198 1.196 1 U 8.65e+05 0 e 0 0 0 0
>> 490 21.696 4.299 1.196 1 U 2.21e+04 0 e 0 0 0 0
>> 491 21.696 7.778 1.190 1 U 3.85e+03 0 e 0 0 0 0
>> 492 54.694 4.591 4.590 1 U 6.52e+04 0 e 0 0 0 0
>> 493 54.694 8.162 4.584 1 U 2.42e+04 0 e 0 0 0 0
>> 494 54.694 2.709 4.588 1 U 2.51e+04 0 e 0 0 0 0
>> 495 41.032 2.703 2.696 1 U 3.39e+05 0 e 0 0 0 0
>> 496 41.032 2.877 2.690 1 U 1.19e+04 0 e 0 0 0 0
>> 497 41.032 4.591 2.696 1 U 5.55e+03 0 e 0 0 0 0
>> 498 41.032 8.168 2.703 1 U 1.37e+04 0 e 0 0 0 0
>> 499 55.961 4.350 4.359 1 U 2.52e+05 0 e 0 0 0 0
>> 500 55.961 8.159 4.359 1 U 8.1e+03 0 e 0 0 0 0
>> 501 55.961 8.016 4.359 1 U 1.12e+04 0 e 0 0 0 0
>> 502 55.961 1.897 4.363 1 U 5.62e+03 0 e 0 0 0 0
>> 503 55.961 1.716 4.359 1 U 1.01e+04 0 e 0 0 0 0
>> 504 33.218 1.852 1.869 1 U 5.32e+04 0 e 0 0 0 0
>> 505 33.218 1.713 1.867 1 U 5.89e+04 0 e 0 0 0 0
>> 506 33.218 1.716 1.727 1 U 1.18e+05 0 e 0 0 0 0
>> 507 33.218 1.849 1.727 1 U 5.35e+04 0 e 0 0 0 0
>> 508 33.218 1.414 1.867 1 U 8.25e+03 0 e 0 0 0 0
>> 509 33.218 1.414 1.725 1 U 9.67e+03 0 e 0 0 0 0
>> 510 29.012 1.671 1.668 1 U 5e+05 0 e 0 0 0 0
>> 511 29.012 1.414 1.672 1 U 7.78e+04 0 e 0 0 0 0
>> 512 42.167 2.985 2.990 1 U 6.5e+05 0 e 0 0 0 0
>> 513 42.167 1.614 2.982 1 U 6.71e+03 0 e 0 0 0 0
>> 514 42.167 1.417 2.986 1 U 4.04e+03 0 e 0 0 0 0
>> 515 42.167 3.217 2.986 1 U 4.83e+03 0 e 0 0 0 0
>> 516 24.497 1.411 1.418 1 U 2.85e+05 0 e 0 0 0 0
>> 517 24.497 1.668 1.422 1 U 5.04e+04 0 e 0 0 0 0
>> 518 24.497 1.843 1.427 1 U 7.46e+03 0 e 0 0 0 0
>> 519 58.149 4.090 4.101 1 U 4.07e+05 0 e 0 0 0 0
>> 520 58.149 8.413 4.114 1 U 4.49e+03 0 e 0 0 0 0
>> 521 58.149 1.811 4.107 1 U 7.39e+03 0 e 0 0 0 0
>> 522 58.149 1.719 4.107 1 U 8e+03 0 e 0 0 0 0
>> 523 58.149 1.589 4.101 1 U 6.13e+03 0 e 0 0 0 0
>> 524 31.020 2.027 2.040 1 U 7.63e+04 0 e 0 0 0 0
>> 525 31.020 1.894 2.042 1 U 5.78e+04 0 e 0 0 0 0
>> 526 31.020 1.887 1.892 1 U 1.04e+05 0 e 0 0 0 0
>> 527 31.020 2.024 1.892 1 U 5.26e+04 0 e 0 0 0 0
>> 528 31.020 2.195 2.036 1 U 1.76e+04 0 e 0 0 0 0
>> 529 31.020 2.201 1.896 1 U 1.65e+04 0 e 0 0 0 0
>> 530 36.595 2.198 2.214 1 U 3.1e+05 0 e 0 0 0 0
>> 531 36.595 2.030 2.207 1 U 3.43e+04 0 e 0 0 0 0
>> 532 36.595 1.890 2.205 1 U 6.71e+03 0 e 0 0 0 0
>> 533 23.517 1.488 0.870 1 U 8.46e+03 0 e 0 0 0 0
>> 534 25.115 1.760 0.803 1 U 4.18e+03 0 e 0 0 0 0
>> 535 40.130 0.852 2.644 1 U 4.05e+03 0 e 0 0 0 0
>> 536 33.288 1.709 1.861 1 U 5.7e+04 0 e 0 0 0 0
>> 537 33.288 1.713 1.720 1 U 1.15e+05 0 e 0 0 0 0
>> 538 33.288 1.849 1.728 1 U 5.35e+04 0 e 0 0 0 0
>> 539 33.288 1.852 1.870 1 U 5.32e+04 0 e 0 0 0 0
>> 540 33.288 1.417 1.868 1 U 8.25e+03 0 e 0 0 0 0
>> 541 33.288 1.411 1.720 1 U 9.73e+03 0 e 0 0 0 0
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Axis_code
>> _Spectral_dim.Spectrometer_frequency
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Under_sampling_type
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Sweep_width_units
>> _Spectral_dim.Value_first_point
>> _Spectral_dim.Absolute_peak_positions
>> _Spectral_dim.Acquisition
>> _Spectral_dim.Center_frequency_offset
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_reduced_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 . . C 13 C . folded 5300.119 Hz . . . 67.172 . . 30623 3
>> 2 . . H 1 H . folded 6599.571 Hz . . . 4.811 . . 30623 3
>> 3 . . H 1 H . folded 7796.511 Hz . . . 4.811 . . 30623 3
>>
>> stop_
>>
>>save_
>>
;
save_