data_17971
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B
;
_BMRB_accession_number 17971
_BMRB_flat_file_name bmr17971.str
_Entry_type original
_Submission_date 2011-09-30
_Accession_date 2011-09-30
_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 Yang Yunhuang . .
2 Ramelot Theresa A. .
3 Cort John R. .
4 Shastry Ritu . .
5 Ciccosanti Colleen . .
6 Hamilton Keith . .
7 Acton Thomas B. .
8 Xiao Rong . .
9 Everett John K. .
10 Montelione Gaetano T. .
11 Kennedy Michael A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 526
"13C chemical shifts" 380
"15N chemical shifts" 98
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-10-28 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B.'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yang Yunhuang . .
2 Ramelot Theresa A. .
3 Cort John R. .
4 Shastry Ritu . .
5 Ciccosanti Colleen . .
6 Hamilton Keith . .
7 Acton Thomas B. .
8 Xiao Rong . .
9 Everett John K. .
10 Montelione Gaetano T. .
11 Kennedy Michael A. .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name TGIF1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
TGIF1 $TGIF1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_TGIF1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common TGIF1
_Molecular_mass 10666.1
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 89
_Mol_residue_sequence
;
MGHHHHHHSHMLPKESVQIL
RDWLYEHRYNAYPSEQEKAL
LSQQTHLSTLQVCNWFINAR
RRLLPDMLRKDGKDPNQFTI
SRRGAKISE
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 HIS 4 HIS 5 HIS
6 HIS 7 HIS 8 HIS 9 SER 10 HIS
11 MET 12 LEU 13 PRO 14 LYS 15 GLU
16 SER 17 VAL 18 GLN 19 ILE 20 LEU
21 ARG 22 ASP 23 TRP 24 LEU 25 TYR
26 GLU 27 HIS 28 ARG 29 TYR 30 ASN
31 ALA 32 TYR 33 PRO 34 SER 35 GLU
36 GLN 37 GLU 38 LYS 39 ALA 40 LEU
41 LEU 42 SER 43 GLN 44 GLN 45 THR
46 HIS 47 LEU 48 SER 49 THR 50 LEU
51 GLN 52 VAL 53 CYS 54 ASN 55 TRP
56 PHE 57 ILE 58 ASN 59 ALA 60 ARG
61 ARG 62 ARG 63 LEU 64 LEU 65 PRO
66 ASP 67 MET 68 LEU 69 ARG 70 LYS
71 ASP 72 GLY 73 LYS 74 ASP 75 PRO
76 ASN 77 GLN 78 PHE 79 THR 80 ILE
81 SER 82 ARG 83 ARG 84 GLY 85 ALA
86 LYS 87 ILE 88 SER 89 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2012-01-07
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 2LK2 "Solution Nmr Structure Of Homeobox Domain (171-248) Of Human Homeobox Protein Tgif1, Northeast Structural Genomics Consortium T" 100.00 89 100.00 100.00 3.35e-46
DBJ BAE90340 "unnamed protein product [Macaca fascicularis]" 87.64 272 98.72 100.00 4.64e-40
EMBL CAA61896 "mTGIF protein [Mus musculus]" 87.64 272 100.00 100.00 1.54e-40
GB AAF81643 "TALE homeobox TG-interacting factor [Homo sapiens]" 87.64 272 100.00 100.00 1.27e-40
GB AAH31268 "TGFB-induced factor homeobox 1 [Homo sapiens]" 87.64 401 100.00 100.00 4.06e-40
GB AAV67398 "transforming growth factor-beta-induced factor [Macaca fascicularis]" 87.64 245 98.72 100.00 5.35e-40
GB AAV74265 "transforming growth factor-beta-induced factor [Saimiri boliviensis]" 87.64 236 100.00 100.00 1.66e-40
GB AES12367 "TG-interacting factor isoform c [Mustela putorius furo]" 87.64 272 100.00 100.00 1.54e-40
REF NP_001009815 "homeobox protein TGIF1 [Pan troglodytes]" 87.64 401 100.00 100.00 3.38e-40
REF NP_001015020 "TGFB-induced factor homeobox 1 [Rattus norvegicus]" 87.64 287 100.00 100.00 1.85e-40
REF NP_001157546 "homeobox protein TGIF1 isoform c [Mus musculus]" 87.64 252 100.00 100.00 1.44e-40
REF NP_001157547 "homeobox protein TGIF1 isoform a [Mus musculus]" 87.64 305 100.00 100.00 3.14e-40
REF NP_001231217 "homeobox protein TGIF1 isoform c [Sus scrofa]" 87.64 273 100.00 100.00 1.49e-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
$TGIF1 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$TGIF1 'recombinant technology' . Escherichia coli . pET15_NESG
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_NC_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TGIF1 0.41 mM '[U-100% 13C; U-100% 15N]'
'ammonium acetate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
DTT 10 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_NC5_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TGIF1 0.36 mM '[U-5% 13C; U-100% 15N]'
'ammonium acetate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_NC_sample_in_D2O
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TGIF1 0.41 mM '[U-100% 13C; U-100% 15N]'
'ammonium acetate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
DTT 10 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2008
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1.4
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_ASDP
_Saveframe_category software
_Name ASDP
_Version 1.0
loop_
_Vendor
_Address
_Electronic_address
'Huang, Tejero, Powers and Montelione' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version 2.25
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details 'water refinement'
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.113
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version 1.4
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version 2.30
loop_
_Vendor
_Address
_Electronic_address
'Zimmerman, Moseley, Kulikowski and Montelione' . .
stop_
loop_
_Task
'chemical shift assignment'
'chemical shift assignment'
stop_
_Details .
save_
save_PDBSTAT
_Saveframe_category software
_Name PDBSTAT
_Version 5.4
loop_
_Vendor
_Address
_Electronic_address
'(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_PINE_Server
_Saveframe_category software
_Name PINE_Server
_Version 1.0
loop_
_Vendor
_Address
_Electronic_address
'Bahrami, Markley, Assadi, and Eghbalnia' . .
stop_
loop_
_Task
'chemical shift autoassignment'
stop_
_Details 'chemical shift autoassignment server'
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model 'Avance III'
_Field_strength 850
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $NC_sample
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $NC_sample
save_
save_2D_1H-13C_HSQC-aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC-aromatic'
_Sample_label $NC_sample
save_
save_2D_1H-15N_HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $NC_sample_in_D2O
save_
save_2D_1H-13C_HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $NC_sample_in_D2O
save_
save_2D_1H-13C_HSQC-CT_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC-CT'
_Sample_label $NC5_sample
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $NC5_sample
save_
save_3D_1H-13C_NOESY_aliph_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY_aliph'
_Sample_label $NC_sample
save_
save_3D_HNCO_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $NC_sample
save_
save_3D_HNCACB_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $NC_sample
save_
save_3D_CBCA(CO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $NC_sample
save_
save_3D_HNCA_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $NC_sample
save_
save_3D_HN(CO)CA_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $NC_sample
save_
save_3D_HBHA(CO)NH_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $NC_sample
save_
save_3D_H(CCO)NH_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $NC_sample
save_
save_3D_C(CCO)NH_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CCO)NH'
_Sample_label $NC_sample
save_
save_3D_HCCH-COSY_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $NC_sample
save_
save_3D_HCCH-TOCSY_18
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $NC_sample
save_
save_3D_CCH-TOCSY_19
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCH-TOCSY'
_Sample_label $NC_sample_in_D2O
save_
save_4D_CC-NOESY_20
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D CC-NOESY'
_Sample_label $NC_sample_in_D2O
save_
save_3D_1H-15N_NOESY_NUS_21
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY_NUS'
_Sample_label $NC_sample
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 1 K
pH 4.5 0.1 pH
pressure 1 . atm
'ionic strength' 0.2 0.02 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_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
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC-aromatic'
'2D 1H-13C HSQC-CT'
stop_
loop_
_Sample_label
$NC_sample
$NC5_sample
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name TGIF1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET C C 178.0 0.2 1
2 2 2 GLY H H 8.51 0.02 1
3 2 2 GLY HA2 H 3.92 0.02 2
4 2 2 GLY HA3 H 3.92 0.02 2
5 2 2 GLY C C 174.1 0.2 1
6 2 2 GLY CA C 45.0 0.2 1
7 2 2 GLY N N 110.1 0.2 1
8 3 3 HIS H H 8.39 0.02 1
9 3 3 HIS HA H 4.65 0.02 1
10 3 3 HIS HB2 H 3.21 0.02 2
11 3 3 HIS HB3 H 3.38 0.02 2
12 3 3 HIS CA C 55.2 0.2 1
13 3 3 HIS CB C 28.8 0.2 1
14 3 3 HIS N N 117.6 0.2 1
15 7 7 HIS HA H 4.69 0.02 1
16 7 7 HIS HB2 H 3.18 0.02 2
17 7 7 HIS HB3 H 3.18 0.02 2
18 7 7 HIS C C 174.0 0.2 1
19 7 7 HIS CA C 55.5 0.2 1
20 7 7 HIS CB C 29.3 0.2 1
21 8 8 HIS H H 8.71 0.02 1
22 8 8 HIS HA H 4.73 0.02 1
23 8 8 HIS HB2 H 3.21 0.02 2
24 8 8 HIS HB3 H 3.21 0.02 2
25 8 8 HIS C C 174.2 0.2 1
26 8 8 HIS CA C 55.3 0.2 1
27 8 8 HIS CB C 29.4 0.2 1
28 8 8 HIS N N 121.4 0.2 1
29 9 9 SER H H 8.51 0.02 1
30 9 9 SER HA H 4.42 0.02 1
31 9 9 SER HB2 H 3.84 0.02 2
32 9 9 SER HB3 H 3.84 0.02 2
33 9 9 SER C C 174.1 0.2 1
34 9 9 SER CA C 58.3 0.2 1
35 9 9 SER CB C 63.9 0.2 1
36 9 9 SER N N 118.0 0.2 1
37 10 10 HIS H H 8.73 0.02 1
38 10 10 HIS HA H 4.75 0.02 1
39 10 10 HIS HB2 H 3.20 0.02 2
40 10 10 HIS HB3 H 3.30 0.02 2
41 10 10 HIS C C 174.1 0.2 1
42 10 10 HIS CA C 55.3 0.2 1
43 10 10 HIS CB C 28.9 0.2 1
44 10 10 HIS N N 120.7 0.2 1
45 11 11 MET H H 8.39 0.02 1
46 11 11 MET HA H 4.50 0.02 1
47 11 11 MET HB2 H 1.97 0.02 2
48 11 11 MET HB3 H 2.05 0.02 2
49 11 11 MET HG2 H 2.56 0.02 2
50 11 11 MET HG3 H 2.56 0.02 2
51 11 11 MET HE H 2.22 0.02 1
52 11 11 MET C C 175.9 0.2 1
53 11 11 MET CA C 55.4 0.2 1
54 11 11 MET CB C 33.4 0.2 1
55 11 11 MET CG C 31.8 0.2 1
56 11 11 MET CE C 18.6 0.2 1
57 11 11 MET N N 122.2 0.2 1
58 12 12 LEU H H 8.53 0.02 1
59 12 12 LEU HA H 4.64 0.02 1
60 12 12 LEU HB2 H 1.33 0.02 2
61 12 12 LEU HB3 H 1.64 0.02 2
62 12 12 LEU HG H 1.81 0.02 1
63 12 12 LEU HD1 H 0.93 0.02 2
64 12 12 LEU HD2 H 0.93 0.02 2
65 12 12 LEU CA C 53.0 0.2 1
66 12 12 LEU CB C 41.7 0.2 1
67 12 12 LEU CG C 27.2 0.2 1
68 12 12 LEU CD1 C 25.4 0.2 2
69 12 12 LEU CD2 C 25.4 0.2 2
70 12 12 LEU N N 125.1 0.2 1
71 13 13 PRO HA H 4.47 0.02 1
72 13 13 PRO HB2 H 2.51 0.02 2
73 13 13 PRO HB3 H 1.99 0.02 2
74 13 13 PRO HG2 H 2.09 0.02 2
75 13 13 PRO HG3 H 2.21 0.02 2
76 13 13 PRO HD2 H 4.03 0.02 2
77 13 13 PRO HD3 H 3.55 0.02 2
78 13 13 PRO C C 178.0 0.2 1
79 13 13 PRO CA C 63.1 0.2 1
80 13 13 PRO CB C 32.2 0.2 1
81 13 13 PRO CG C 27.9 0.2 1
82 13 13 PRO CD C 50.8 0.2 1
83 14 14 LYS H H 8.78 0.02 1
84 14 14 LYS HA H 4.01 0.02 1
85 14 14 LYS HB2 H 1.82 0.02 2
86 14 14 LYS HB3 H 1.91 0.02 2
87 14 14 LYS HG2 H 1.45 0.02 2
88 14 14 LYS HG3 H 1.50 0.02 2
89 14 14 LYS HD2 H 1.71 0.02 2
90 14 14 LYS HD3 H 1.71 0.02 2
91 14 14 LYS HE2 H 3.01 0.02 2
92 14 14 LYS HE3 H 3.01 0.02 2
93 14 14 LYS C C 178.6 0.2 1
94 14 14 LYS CA C 59.4 0.2 1
95 14 14 LYS CB C 32.4 0.2 1
96 14 14 LYS CG C 24.6 0.2 1
97 14 14 LYS CD C 29.2 0.2 1
98 14 14 LYS CE C 42 0.2 1
99 14 14 LYS N N 124.3 0.2 1
100 15 15 GLU H H 9.23 0.02 1
101 15 15 GLU HA H 4.14 0.02 1
102 15 15 GLU HB2 H 2.08 0.02 2
103 15 15 GLU HB3 H 2.08 0.02 2
104 15 15 GLU HG2 H 2.38 0.02 2
105 15 15 GLU HG3 H 2.46 0.02 2
106 15 15 GLU C C 178.5 0.2 1
107 15 15 GLU CA C 59.0 0.2 1
108 15 15 GLU CB C 28.6 0.2 1
109 15 15 GLU CG C 35.8 0.2 1
110 15 15 GLU N N 119.1 0.2 1
111 16 16 SER H H 7.43 0.02 1
112 16 16 SER HA H 4.08 0.02 1
113 16 16 SER HB2 H 3.77 0.02 2
114 16 16 SER HB3 H 3.95 0.02 2
115 16 16 SER C C 174.7 0.2 1
116 16 16 SER CA C 62.3 0.2 1
117 16 16 SER CB C 62.4 0.2 1
118 16 16 SER N N 115.1 0.2 1
119 17 17 VAL H H 7.66 0.02 1
120 17 17 VAL HA H 3.11 0.02 1
121 17 17 VAL HB H 2.02 0.02 1
122 17 17 VAL HG1 H 0.99 0.02 2
123 17 17 VAL HG2 H 0.95 0.02 2
124 17 17 VAL C C 176.9 0.2 1
125 17 17 VAL CA C 66.0 0.2 1
126 17 17 VAL CB C 31.4 0.2 1
127 17 17 VAL CG1 C 21.6 0.2 2
128 17 17 VAL CG2 C 23.1 0.2 2
129 17 17 VAL N N 119.6 0.2 1
130 18 18 GLN H H 7.83 0.02 1
131 18 18 GLN HA H 3.81 0.02 1
132 18 18 GLN HB2 H 2.08 0.02 2
133 18 18 GLN HB3 H 2.17 0.02 2
134 18 18 GLN HG2 H 2.38 0.02 2
135 18 18 GLN HG3 H 2.38 0.02 2
136 18 18 GLN HE21 H 6.88 0.02 2
137 18 18 GLN HE22 H 7.77 0.02 2
138 18 18 GLN C C 177.3 0.2 1
139 18 18 GLN CA C 58.9 0.2 1
140 18 18 GLN CB C 28.2 0.2 1
141 18 18 GLN CG C 33.4 0.2 1
142 18 18 GLN CD C 180.2 0.2 1
143 18 18 GLN N N 119.3 0.2 1
144 18 18 GLN NE2 N 114.7 0.2 1
145 19 19 ILE H H 7.12 0.02 1
146 19 19 ILE HA H 3.74 0.02 1
147 19 19 ILE HB H 1.74 0.02 1
148 19 19 ILE HG12 H 1.10 0.02 2
149 19 19 ILE HG13 H 1.76 0.02 2
150 19 19 ILE HG2 H 0.75 0.02 1
151 19 19 ILE HD1 H 0.77 0.02 1
152 19 19 ILE C C 179.2 0.2 1
153 19 19 ILE CA C 64.9 0.2 1
154 19 19 ILE CB C 38.3 0.2 1
155 19 19 ILE CG1 C 29.1 0.2 1
156 19 19 ILE CG2 C 17 0.2 1
157 19 19 ILE CD1 C 13.9 0.2 1
158 19 19 ILE N N 118.2 0.2 1
159 20 20 LEU H H 7.08 0.02 1
160 20 20 LEU HA H 3.64 0.02 1
161 20 20 LEU HB2 H -0.48 0.02 2
162 20 20 LEU HB3 H 0.40 0.02 2
163 20 20 LEU HG H 1.26 0.02 1
164 20 20 LEU HD1 H -0.29 0.02 2
165 20 20 LEU HD2 H 0.43 0.02 2
166 20 20 LEU C C 177.7 0.2 1
167 20 20 LEU CA C 57.9 0.2 1
168 20 20 LEU CB C 37.7 0.2 1
169 20 20 LEU CG C 25.4 0.2 1
170 20 20 LEU CD1 C 23.7 0.2 2
171 20 20 LEU CD2 C 23.5 0.2 2
172 20 20 LEU N N 120.2 0.2 1
173 21 21 ARG H H 8.61 0.02 1
174 21 21 ARG HA H 4.01 0.02 1
175 21 21 ARG HB2 H 1.95 0.02 2
176 21 21 ARG HB3 H 1.95 0.02 2
177 21 21 ARG HG2 H 1.67 0.02 2
178 21 21 ARG HG3 H 1.67 0.02 2
179 21 21 ARG HD2 H 3.23 0.02 2
180 21 21 ARG HD3 H 3.23 0.02 2
181 21 21 ARG HE H 7.31 0.02 1
182 21 21 ARG C C 178.7 0.2 1
183 21 21 ARG CA C 60.5 0.2 1
184 21 21 ARG CB C 30.1 0.2 1
185 21 21 ARG CG C 28.8 0.2 1
186 21 21 ARG CD C 43.7 0.2 1
187 21 21 ARG N N 119.6 0.2 1
188 21 21 ARG NE N 84.2 0.2 1
189 22 22 ASP H H 8.59 0.02 1
190 22 22 ASP HA H 4.58 0.02 1
191 22 22 ASP HB2 H 2.80 0.02 2
192 22 22 ASP HB3 H 2.93 0.02 2
193 22 22 ASP C C 178.4 0.2 1
194 22 22 ASP CA C 57.3 0.2 1
195 22 22 ASP CB C 39.3 0.2 1
196 22 22 ASP N N 120.2 0.2 1
197 23 23 TRP H H 8.19 0.02 1
198 23 23 TRP HA H 4.23 0.02 1
199 23 23 TRP HB2 H 3.44 0.02 2
200 23 23 TRP HB3 H 3.69 0.02 2
201 23 23 TRP HD1 H 7.37 0.02 1
202 23 23 TRP HE1 H 10.00 0.02 1
203 23 23 TRP HZ2 H 6.87 0.02 1
204 23 23 TRP HZ3 H 6.06 0.02 1
205 23 23 TRP HH2 H 6.46 0.02 1
206 23 23 TRP C C 180.4 0.2 1
207 23 23 TRP CA C 63.3 0.2 1
208 23 23 TRP CB C 29.7 0.2 1
209 23 23 TRP CD1 C 128.3 0.2 1
210 23 23 TRP CZ2 C 113.6 0.2 1
211 23 23 TRP CZ3 C 122 0.2 1
212 23 23 TRP CH2 C 123 0.2 1
213 23 23 TRP N N 122.2 0.2 1
214 23 23 TRP NE1 N 130 0.2 1
215 24 24 LEU H H 9.15 0.02 1
216 24 24 LEU HA H 4.14 0.02 1
217 24 24 LEU HB2 H 2.03 0.02 2
218 24 24 LEU HB3 H 2.52 0.02 2
219 24 24 LEU HG H 1.82 0.02 1
220 24 24 LEU HD1 H 1.22 0.02 2
221 24 24 LEU HD2 H 0.99 0.02 2
222 24 24 LEU C C 176.7 0.2 1
223 24 24 LEU CA C 59.2 0.2 1
224 24 24 LEU CB C 42.2 0.2 1
225 24 24 LEU CG C 26.4 0.2 1
226 24 24 LEU CD1 C 24.8 0.2 2
227 24 24 LEU CD2 C 27.8 0.2 2
228 24 24 LEU N N 121.2 0.2 1
229 25 25 TYR H H 8.55 0.02 1
230 25 25 TYR HA H 4.23 0.02 1
231 25 25 TYR HB2 H 3.07 0.02 2
232 25 25 TYR HB3 H 3.21 0.02 2
233 25 25 TYR HD1 H 7.12 0.02 3
234 25 25 TYR HD2 H 7.12 0.02 3
235 25 25 TYR HE1 H 6.82 0.02 3
236 25 25 TYR HE2 H 6.82 0.02 3
237 25 25 TYR C C 179.5 0.2 1
238 25 25 TYR CA C 62.5 0.2 1
239 25 25 TYR CB C 38.3 0.2 1
240 25 25 TYR CD1 C 132.9 0.2 3
241 25 25 TYR CD2 C 132.9 0.2 3
242 25 25 TYR CE1 C 118.2 0.2 3
243 25 25 TYR CE2 C 118.2 0.2 3
244 25 25 TYR N N 115.9 0.2 1
245 26 26 GLU H H 8.19 0.02 1
246 26 26 GLU HA H 3.73 0.02 1
247 26 26 GLU HB2 H 1.73 0.02 2
248 26 26 GLU HB3 H 1.93 0.02 2
249 26 26 GLU HG2 H 2.18 0.02 2
250 26 26 GLU HG3 H 2.35 0.02 2
251 26 26 GLU C C 177.0 0.2 1
252 26 26 GLU CA C 58.0 0.2 1
253 26 26 GLU CB C 28.5 0.2 1
254 26 26 GLU CG C 34.6 0.2 1
255 26 26 GLU N N 118.8 0.2 1
256 27 27 HIS H H 7.66 0.02 1
257 27 27 HIS HA H 4.38 0.02 1
258 27 27 HIS HB2 H 1.66 0.02 2
259 27 27 HIS HB3 H 3.02 0.02 2
260 27 27 HIS C C 176.4 0.2 1
261 27 27 HIS CA C 54.9 0.2 1
262 27 27 HIS CB C 26.3 0.2 1
263 27 27 HIS N N 115.8 0.2 1
264 28 28 ARG H H 6.65 0.02 1
265 28 28 ARG HA H 3.89 0.02 1
266 28 28 ARG HB2 H 1.36 0.02 2
267 28 28 ARG HB3 H 1.72 0.02 2
268 28 28 ARG HG2 H 1.14 0.02 2
269 28 28 ARG HG3 H 1.14 0.02 2
270 28 28 ARG HD2 H 2.34 0.02 2
271 28 28 ARG HD3 H 2.50 0.02 2
272 28 28 ARG HE H 7.53 0.02 1
273 28 28 ARG C C 175.2 0.2 1
274 28 28 ARG CA C 58.9 0.2 1
275 28 28 ARG CB C 28.3 0.2 1
276 28 28 ARG CG C 24.1 0.2 1
277 28 28 ARG CD C 43.4 0.2 1
278 28 28 ARG N N 118.3 0.2 1
279 28 28 ARG NE N 83.7 0.2 1
280 29 29 TYR H H 7.72 0.02 1
281 29 29 TYR HA H 4.50 0.02 1
282 29 29 TYR HB2 H 2.68 0.02 2
283 29 29 TYR HB3 H 3.28 0.02 2
284 29 29 TYR HD1 H 7.03 0.02 3
285 29 29 TYR HD2 H 7.03 0.02 3
286 29 29 TYR HE1 H 6.69 0.02 3
287 29 29 TYR HE2 H 6.69 0.02 3
288 29 29 TYR C C 176.0 0.2 1
289 29 29 TYR CA C 58.6 0.2 1
290 29 29 TYR CB C 37.2 0.2 1
291 29 29 TYR CD1 C 132.8 0.2 3
292 29 29 TYR CD2 C 132.8 0.2 3
293 29 29 TYR CE1 C 118.5 0.2 3
294 29 29 TYR CE2 C 118.5 0.2 3
295 29 29 TYR N N 115.2 0.2 1
296 30 30 ASN H H 8.08 0.02 1
297 30 30 ASN HA H 4.91 0.02 1
298 30 30 ASN HB2 H 2.89 0.02 2
299 30 30 ASN HB3 H 2.89 0.02 2
300 30 30 ASN HD21 H 6.90 0.02 2
301 30 30 ASN HD22 H 7.56 0.02 2
302 30 30 ASN C C 175.3 0.2 1
303 30 30 ASN CA C 53.6 0.2 1
304 30 30 ASN CB C 37.5 0.2 1
305 30 30 ASN CG C 178 0.2 1
306 30 30 ASN N N 119.1 0.2 1
307 30 30 ASN ND2 N 110.8 0.2 1
308 31 31 ALA H H 8.91 0.02 1
309 31 31 ALA HA H 4.51 0.02 1
310 31 31 ALA HB H 1.30 0.02 1
311 31 31 ALA C C 178.4 0.2 1
312 31 31 ALA CA C 52.9 0.2 1
313 31 31 ALA CB C 17.8 0.2 1
314 31 31 ALA N N 129.4 0.2 1
315 32 32 TYR H H 7.87 0.02 1
316 32 32 TYR HA H 4.61 0.02 1
317 32 32 TYR HB2 H 2.72 0.02 2
318 32 32 TYR HB3 H 2.87 0.02 2
319 32 32 TYR HD1 H 7.12 0.02 3
320 32 32 TYR HD2 H 7.12 0.02 3
321 32 32 TYR HE1 H 6.78 0.02 3
322 32 32 TYR HE2 H 6.78 0.02 3
323 32 32 TYR CA C 55.4 0.2 1
324 32 32 TYR CB C 39.3 0.2 1
325 32 32 TYR CD1 C 133.6 0.2 3
326 32 32 TYR CD2 C 133.6 0.2 3
327 32 32 TYR CE1 C 117.8 0.2 3
328 32 32 TYR CE2 C 117.8 0.2 3
329 32 32 TYR N N 119.1 0.2 1
330 33 33 PRO HA H 4.54 0.02 1
331 33 33 PRO HB2 H 1.30 0.02 2
332 33 33 PRO HB3 H 0.80 0.02 2
333 33 33 PRO HG2 H 0.05 0.02 2
334 33 33 PRO HG3 H 0.92 0.02 2
335 33 33 PRO HD2 H 3.38 0.02 2
336 33 33 PRO HD3 H 2.46 0.02 2
337 33 33 PRO C C 176.9 0.2 1
338 33 33 PRO CA C 61.9 0.2 1
339 33 33 PRO CB C 30.8 0.2 1
340 33 33 PRO CG C 25.7 0.2 1
341 33 33 PRO CD C 50 0.2 1
342 34 34 SER H H 9.58 0.02 1
343 34 34 SER HA H 4.53 0.02 1
344 34 34 SER HB2 H 4.13 0.02 2
345 34 34 SER HB3 H 4.49 0.02 2
346 34 34 SER C C 174.7 0.2 1
347 34 34 SER CA C 57.0 0.2 1
348 34 34 SER CB C 65.4 0.2 1
349 34 34 SER N N 120.9 0.2 1
350 35 35 GLU H H 9.11 0.02 1
351 35 35 GLU HA H 3.91 0.02 1
352 35 35 GLU HB2 H 2.08 0.02 2
353 35 35 GLU HB3 H 2.08 0.02 2
354 35 35 GLU HG2 H 2.45 0.02 2
355 35 35 GLU HG3 H 2.45 0.02 2
356 35 35 GLU C C 179.4 0.2 1
357 35 35 GLU CA C 60.2 0.2 1
358 35 35 GLU CB C 28.7 0.2 1
359 35 35 GLU CG C 35.7 0.2 1
360 35 35 GLU N N 120.5 0.2 1
361 36 36 GLN H H 8.55 0.02 1
362 36 36 GLN HA H 4.13 0.02 1
363 36 36 GLN HB2 H 2.01 0.02 2
364 36 36 GLN HB3 H 2.10 0.02 2
365 36 36 GLN HG2 H 2.46 0.02 2
366 36 36 GLN HG3 H 2.46 0.02 2
367 36 36 GLN HE21 H 6.90 0.02 2
368 36 36 GLN HE22 H 7.53 0.02 2
369 36 36 GLN C C 178.9 0.2 1
370 36 36 GLN CA C 59.2 0.2 1
371 36 36 GLN CB C 28.1 0.2 1
372 36 36 GLN CG C 34.1 0.2 1
373 36 36 GLN CD C 180.2 0.2 1
374 36 36 GLN N N 119.2 0.2 1
375 36 36 GLN NE2 N 112 0.2 1
376 37 37 GLU H H 7.87 0.02 1
377 37 37 GLU HA H 3.93 0.02 1
378 37 37 GLU HB2 H 1.57 0.02 2
379 37 37 GLU HB3 H 2.18 0.02 2
380 37 37 GLU HG2 H 2.38 0.02 2
381 37 37 GLU HG3 H 2.46 0.02 2
382 37 37 GLU C C 178.7 0.2 1
383 37 37 GLU CA C 58.9 0.2 1
384 37 37 GLU CB C 29.0 0.2 1
385 37 37 GLU CG C 36.5 0.2 1
386 37 37 GLU N N 121.3 0.2 1
387 38 38 LYS H H 8.71 0.02 1
388 38 38 LYS HA H 3.49 0.02 1
389 38 38 LYS HB2 H 1.57 0.02 2
390 38 38 LYS HB3 H 1.87 0.02 2
391 38 38 LYS HG2 H 0.89 0.02 2
392 38 38 LYS HG3 H 1.36 0.02 2
393 38 38 LYS HD2 H 1.55 0.02 2
394 38 38 LYS HD3 H 1.55 0.02 2
395 38 38 LYS HE3 H 2.79 0.02 2
396 38 38 LYS C C 178.0 0.2 1
397 38 38 LYS CA C 60.7 0.2 1
398 38 38 LYS CB C 32.7 0.2 1
399 38 38 LYS CG C 26.4 0.2 1
400 38 38 LYS CD C 30.2 0.2 1
401 38 38 LYS CE C 41.6 0.2 1
402 38 38 LYS N N 118.9 0.2 1
403 39 39 ALA H H 7.56 0.02 1
404 39 39 ALA HA H 4.01 0.02 1
405 39 39 ALA HB H 1.51 0.02 1
406 39 39 ALA C C 180.3 0.2 1
407 39 39 ALA CA C 55.2 0.2 1
408 39 39 ALA CB C 17.6 0.2 1
409 39 39 ALA N N 121.4 0.2 1
410 40 40 LEU H H 7.8 0.02 1
411 40 40 LEU HA H 4.12 0.02 1
412 40 40 LEU HB2 H 1.72 0.02 2
413 40 40 LEU HB3 H 1.72 0.02 2
414 40 40 LEU HG H 1.61 0.02 1
415 40 40 LEU HD1 H 0.95 0.02 2
416 40 40 LEU HD2 H 0.93 0.02 2
417 40 40 LEU C C 179.4 0.2 1
418 40 40 LEU CA C 58.0 0.2 1
419 40 40 LEU CB C 41.5 0.2 1
420 40 40 LEU CG C 26.9 0.2 1
421 40 40 LEU CD1 C 23.9 0.2 2
422 40 40 LEU CD2 C 24.3 0.2 2
423 40 40 LEU N N 121.3 0.2 1
424 41 41 LEU H H 8.56 0.02 1
425 41 41 LEU HA H 4.00 0.02 1
426 41 41 LEU HB2 H 0.93 0.02 2
427 41 41 LEU HB3 H 1.76 0.02 2
428 41 41 LEU HG H 1.46 0.02 1
429 41 41 LEU HD1 H -0.16 0.02 2
430 41 41 LEU HD2 H 0.67 0.02 2
431 41 41 LEU C C 181.3 0.2 1
432 41 41 LEU CA C 57.8 0.2 1
433 41 41 LEU CB C 42.3 0.2 1
434 41 41 LEU CG C 26.8 0.2 1
435 41 41 LEU CD1 C 24 0.2 2
436 41 41 LEU CD2 C 21.9 0.2 2
437 41 41 LEU N N 119.2 0.2 1
438 42 42 SER H H 8.47 0.02 1
439 42 42 SER HA H 4.02 0.02 1
440 42 42 SER HB2 H 3.88 0.02 2
441 42 42 SER HB3 H 4.01 0.02 2
442 42 42 SER C C 176.2 0.2 1
443 42 42 SER CA C 61.4 0.2 1
444 42 42 SER CB C 63.0 0.2 1
445 42 42 SER N N 117.8 0.2 1
446 43 43 GLN H H 7.78 0.02 1
447 43 43 GLN HA H 4.00 0.02 1
448 43 43 GLN HB2 H 2.24 0.02 2
449 43 43 GLN HB3 H 2.28 0.02 2
450 43 43 GLN HG2 H 2.39 0.02 2
451 43 43 GLN HG3 H 2.53 0.02 2
452 43 43 GLN HE21 H 6.79 0.02 2
453 43 43 GLN HE22 H 7.41 0.02 2
454 43 43 GLN C C 179.0 0.2 1
455 43 43 GLN CA C 58.9 0.2 1
456 43 43 GLN CB C 28.3 0.2 1
457 43 43 GLN CG C 33.7 0.2 1
458 43 43 GLN CD C 180.2 0.2 1
459 43 43 GLN N N 120.8 0.2 1
460 43 43 GLN NE2 N 111.3 0.2 1
461 44 44 GLN H H 8.35 0.02 1
462 44 44 GLN HA H 3.98 0.02 1
463 44 44 GLN HB2 H 2.04 0.02 2
464 44 44 GLN HB3 H 2.14 0.02 2
465 44 44 GLN HG2 H 2.38 0.02 2
466 44 44 GLN HG3 H 2.64 0.02 2
467 44 44 GLN HE21 H 6.56 0.02 2
468 44 44 GLN HE22 H 7.23 0.02 2
469 44 44 GLN C C 177.8 0.2 1
470 44 44 GLN CA C 58.4 0.2 1
471 44 44 GLN CB C 29.9 0.2 1
472 44 44 GLN CG C 34 0.2 1
473 44 44 GLN CD C 178.8 0.2 1
474 44 44 GLN N N 116.0 0.2 1
475 44 44 GLN NE2 N 108.2 0.2 1
476 45 45 THR H H 7.83 0.02 1
477 45 45 THR HA H 4.04 0.02 1
478 45 45 THR HB H 4.03 0.02 1
479 45 45 THR HG1 H 4.49 0.02 1
480 45 45 THR HG2 H 1.20 0.02 1
481 45 45 THR C C 175.4 0.2 1
482 45 45 THR CA C 62.3 0.2 1
483 45 45 THR CB C 71.2 0.2 1
484 45 45 THR CG2 C 22 0.2 1
485 45 45 THR N N 104.1 0.2 1
486 46 46 HIS H H 7.72 0.02 1
487 46 46 HIS HA H 4.31 0.02 1
488 46 46 HIS HB2 H 3.44 0.02 2
489 46 46 HIS HB3 H 3.61 0.02 2
490 46 46 HIS HD2 H 7.22 0.02 1
491 46 46 HIS C C 173.2 0.2 1
492 46 46 HIS CA C 56.9 0.2 1
493 46 46 HIS CB C 25.7 0.2 1
494 46 46 HIS N N 115.5 0.2 1
495 47 47 LEU H H 7.66 0.02 1
496 47 47 LEU HA H 4.75 0.02 1
497 47 47 LEU HB2 H 1.44 0.02 2
498 47 47 LEU HB3 H 1.61 0.02 2
499 47 47 LEU HG H 1.54 0.02 1
500 47 47 LEU HD1 H 0.64 0.02 2
501 47 47 LEU HD2 H 0.85 0.02 2
502 47 47 LEU C C 176.9 0.2 1
503 47 47 LEU CA C 53.0 0.2 1
504 47 47 LEU CB C 44.5 0.2 1
505 47 47 LEU CG C 26.4 0.2 1
506 47 47 LEU CD1 C 25.8 0.2 2
507 47 47 LEU CD2 C 22.7 0.2 2
508 47 47 LEU N N 119.7 0.2 1
509 48 48 SER H H 9.10 0.02 1
510 48 48 SER HA H 4.54 0.02 1
511 48 48 SER HB2 H 4.05 0.02 2
512 48 48 SER HB3 H 4.44 0.02 2
513 48 48 SER C C 175.4 0.2 1
514 48 48 SER CA C 57.2 0.2 1
515 48 48 SER CB C 65.0 0.2 1
516 48 48 SER N N 117.6 0.2 1
517 49 49 THR H H 9.03 0.02 1
518 49 49 THR HA H 3.75 0.02 1
519 49 49 THR HB H 4.14 0.02 1
520 49 49 THR HG2 H 1.27 0.02 1
521 49 49 THR C C 176.9 0.2 1
522 49 49 THR CA C 66.9 0.2 1
523 49 49 THR CB C 67.8 0.2 1
524 49 49 THR CG2 C 22.6 0.2 1
525 49 49 THR N N 115.5 0.2 1
526 50 50 LEU H H 8.03 0.02 1
527 50 50 LEU HA H 4.15 0.02 1
528 50 50 LEU HB2 H 1.65 0.02 2
529 50 50 LEU HB3 H 1.65 0.02 2
530 50 50 LEU HG H 1.57 0.02 1
531 50 50 LEU HD2 H 0.55 0.02 2
532 50 50 LEU C C 178.7 0.2 1
533 50 50 LEU CA C 58.4 0.2 1
534 50 50 LEU CB C 41.9 0.2 1
535 50 50 LEU CG C 27.2 0.2 1
536 50 50 LEU CD1 C 24.5 0.2 2
537 50 50 LEU CD2 C 22.3 0.2 2
538 50 50 LEU N N 123.0 0.2 1
539 51 51 GLN H H 7.90 0.02 1
540 51 51 GLN HA H 4.11 0.02 1
541 51 51 GLN HB2 H 1.89 0.02 2
542 51 51 GLN HB3 H 2.57 0.02 2
543 51 51 GLN HG2 H 2.50 0.02 2
544 51 51 GLN HG3 H 2.50 0.02 2
545 51 51 GLN HE21 H 6.99 0.02 2
546 51 51 GLN HE22 H 7.65 0.02 2
547 51 51 GLN C C 180.2 0.2 1
548 51 51 GLN CA C 59.2 0.2 1
549 51 51 GLN CB C 29.8 0.2 1
550 51 51 GLN CG C 35.2 0.2 1
551 51 51 GLN CD C 179.6 0.2 1
552 51 51 GLN N N 118.6 0.2 1
553 51 51 GLN NE2 N 113 0.2 1
554 52 52 VAL H H 8.38 0.02 1
555 52 52 VAL HA H 3.49 0.02 1
556 52 52 VAL HB H 2.29 0.02 1
557 52 52 VAL HG1 H 0.98 0.02 2
558 52 52 VAL HG2 H 0.83 0.02 2
559 52 52 VAL C C 177.3 0.2 1
560 52 52 VAL CA C 67.5 0.2 1
561 52 52 VAL CB C 32.0 0.2 1
562 52 52 VAL CG1 C 21.7 0.2 2
563 52 52 VAL CG2 C 23.2 0.2 2
564 52 52 VAL N N 121.0 0.2 1
565 53 53 CYS H H 8.7 0.02 1
566 53 53 CYS HA H 4.21 0.02 1
567 53 53 CYS HB2 H 3.08 0.02 2
568 53 53 CYS HB3 H 3.18 0.02 2
569 53 53 CYS C C 178.0 0.2 1
570 53 53 CYS CA C 64.3 0.2 1
571 53 53 CYS CB C 26.6 0.2 1
572 53 53 CYS N N 118.3 0.2 1
573 54 54 ASN H H 8.76 0.02 1
574 54 54 ASN HA H 4.56 0.02 1
575 54 54 ASN HB2 H 2.82 0.02 2
576 54 54 ASN HB3 H 2.94 0.02 2
577 54 54 ASN HD21 H 6.84 0.02 2
578 54 54 ASN HD22 H 7.61 0.02 2
579 54 54 ASN C C 177.7 0.2 1
580 54 54 ASN CA C 55.9 0.2 1
581 54 54 ASN CB C 37.8 0.2 1
582 54 54 ASN CG C 175.3 0.2 1
583 54 54 ASN N N 118.5 0.2 1
584 54 54 ASN ND2 N 111.3 0.2 1
585 55 55 TRP H H 8.42 0.02 1
586 55 55 TRP HA H 4.05 0.02 1
587 55 55 TRP HB2 H 3.17 0.02 2
588 55 55 TRP HB3 H 3.38 0.02 2
589 55 55 TRP HD1 H 7.18 0.02 1
590 55 55 TRP HE1 H 9.99 0.02 1
591 55 55 TRP HE3 H 6.07 0.02 1
592 55 55 TRP HZ2 H 7.12 0.02 1
593 55 55 TRP HZ3 H 6.08 0.02 1
594 55 55 TRP HH2 H 6.51 0.02 1
595 55 55 TRP C C 179.5 0.2 1
596 55 55 TRP CA C 63.1 0.2 1
597 55 55 TRP CB C 28.2 0.2 1
598 55 55 TRP CD1 C 127.2 0.2 1
599 55 55 TRP CZ2 C 114.1 0.2 1
600 55 55 TRP CZ3 C 120.8 0.2 1
601 55 55 TRP CH2 C 123.1 0.2 1
602 55 55 TRP N N 123.1 0.2 1
603 55 55 TRP NE1 N 129.1 0.2 1
604 56 56 PHE H H 8.34 0.02 1
605 56 56 PHE HA H 3.96 0.02 1
606 56 56 PHE HB2 H 3.22 0.02 2
607 56 56 PHE HB3 H 3.22 0.02 2
608 56 56 PHE HD1 H 7.47 0.02 3
609 56 56 PHE HD2 H 7.47 0.02 3
610 56 56 PHE C C 177.8 0.2 1
611 56 56 PHE CA C 64.0 0.2 1
612 56 56 PHE CB C 39.4 0.2 1
613 56 56 PHE N N 117.3 0.2 1
614 57 57 ILE H H 7.95 0.02 1
615 57 57 ILE HA H 3.68 0.02 1
616 57 57 ILE HB H 1.91 0.02 1
617 57 57 ILE HG12 H 1.14 0.02 2
618 57 57 ILE HG13 H 1.94 0.02 2
619 57 57 ILE HG2 H 0.93 0.02 1
620 57 57 ILE HD1 H 0.97 0.02 1
621 57 57 ILE C C 178.9 0.2 1
622 57 57 ILE CA C 65.8 0.2 1
623 57 57 ILE CB C 38.5 0.2 1
624 57 57 ILE CG1 C 29.3 0.2 1
625 57 57 ILE CG2 C 16.7 0.2 1
626 57 57 ILE CD1 C 13.5 0.2 1
627 57 57 ILE N N 119.8 0.2 1
628 58 58 ASN H H 7.24 0.02 1
629 58 58 ASN HA H 4.40 0.02 1
630 58 58 ASN HB2 H 2.56 0.02 2
631 58 58 ASN HB3 H 2.66 0.02 2
632 58 58 ASN HD21 H 6.94 0.02 2
633 58 58 ASN HD22 H 7.51 0.02 2
634 58 58 ASN C C 177.4 0.2 1
635 58 58 ASN CA C 56.1 0.2 1
636 58 58 ASN CB C 38.9 0.2 1
637 58 58 ASN CG C 175.9 0.2 1
638 58 58 ASN N N 116.2 0.2 1
639 58 58 ASN ND2 N 114.4 0.2 1
640 59 59 ALA H H 8.75 0.02 1
641 59 59 ALA HA H 3.60 0.02 1
642 59 59 ALA HB H 0.30 0.02 1
643 59 59 ALA C C 181.0 0.2 1
644 59 59 ALA CA C 55.0 0.2 1
645 59 59 ALA CB C 19.1 0.2 1
646 59 59 ALA N N 123.4 0.2 1
647 60 60 ARG H H 8.50 0.02 1
648 60 60 ARG HA H 4.00 0.02 1
649 60 60 ARG HB2 H 2.04 0.02 2
650 60 60 ARG HB3 H 2.04 0.02 2
651 60 60 ARG HG2 H 1.36 0.02 2
652 60 60 ARG HG3 H 2.12 0.02 2
653 60 60 ARG HD2 H 2.93 0.02 2
654 60 60 ARG HD3 H 3.00 0.02 2
655 60 60 ARG HE H 7.13 0.02 1
656 60 60 ARG C C 176.6 0.2 1
657 60 60 ARG CA C 60.5 0.2 1
658 60 60 ARG CB C 30.9 0.2 1
659 60 60 ARG CG C 30.5 0.2 1
660 60 60 ARG CD C 43.1 0.2 1
661 60 60 ARG N N 117.4 0.2 1
662 60 60 ARG NE N 84.4 0.2 1
663 61 61 ARG H H 6.91 0.02 1
664 61 61 ARG HA H 4.27 0.02 1
665 61 61 ARG HB2 H 1.93 0.02 2
666 61 61 ARG HB3 H 1.93 0.02 2
667 61 61 ARG HG2 H 1.64 0.02 2
668 61 61 ARG HG3 H 1.80 0.02 2
669 61 61 ARG HD2 H 3.16 0.02 2
670 61 61 ARG HD3 H 3.16 0.02 2
671 61 61 ARG HE H 7.22 0.02 1
672 61 61 ARG C C 177.3 0.2 1
673 61 61 ARG CA C 58.0 0.2 1
674 61 61 ARG CB C 31.0 0.2 1
675 61 61 ARG CG C 27.3 0.2 1
676 61 61 ARG CD C 43.4 0.2 1
677 61 61 ARG N N 114.8 0.2 1
678 61 61 ARG NE N 84.4 0.2 1
679 62 62 ARG H H 8.00 0.02 1
680 62 62 ARG HA H 4.36 0.02 1
681 62 62 ARG HB2 H 1.67 0.02 2
682 62 62 ARG HB3 H 1.78 0.02 2
683 62 62 ARG HG2 H 1.55 0.02 2
684 62 62 ARG HG3 H 1.63 0.02 2
685 62 62 ARG HD2 H 3.16 0.02 2
686 62 62 ARG HD3 H 3.16 0.02 2
687 62 62 ARG HE H 7.18 0.02 1
688 62 62 ARG C C 176.7 0.2 1
689 62 62 ARG CA C 57.5 0.2 1
690 62 62 ARG CB C 32.3 0.2 1
691 62 62 ARG CG C 27.3 0.2 1
692 62 62 ARG CD C 43 0.2 1
693 62 62 ARG N N 114.6 0.2 1
694 62 62 ARG NE N 84.7 0.2 1
695 63 63 LEU H H 8.48 0.02 1
696 63 63 LEU HA H 4.63 0.02 1
697 63 63 LEU HB2 H 1.55 0.02 2
698 63 63 LEU HB3 H 1.71 0.02 2
699 63 63 LEU HG H 1.56 0.02 1
700 63 63 LEU HD1 H 0.91 0.02 2
701 63 63 LEU HD2 H 0.91 0.02 2
702 63 63 LEU C C 177.8 0.2 1
703 63 63 LEU CA C 56.1 0.2 1
704 63 63 LEU CB C 43.8 0.2 1
705 63 63 LEU CG C 27.1 0.2 1
706 63 63 LEU CD1 C 24.7 0.2 2
707 63 63 LEU CD2 C 23.5 0.2 2
708 63 63 LEU N N 119.0 0.2 1
709 64 64 LEU H H 7.70 0.02 1
710 64 64 LEU HA H 4.37 0.02 1
711 64 64 LEU HB2 H 1.40 0.02 2
712 64 64 LEU HB3 H 2.31 0.02 2
713 64 64 LEU HG H 1.68 0.02 1
714 64 64 LEU HD1 H 1.07 0.02 2
715 64 64 LEU HD2 H 1.01 0.02 2
716 64 64 LEU CA C 58.6 0.2 1
717 64 64 LEU CB C 41.2 0.2 1
718 64 64 LEU CD1 C 24 0.2 2
719 64 64 LEU CD2 C 26.1 0.2 2
720 64 64 LEU N N 119.1 0.2 1
721 65 65 PRO HA H 4.18 0.02 1
722 65 65 PRO HB2 H 2.30 0.02 2
723 65 65 PRO HB3 H 1.85 0.02 2
724 65 65 PRO HG2 H 1.92 0.02 2
725 65 65 PRO HG3 H 2.11 0.02 2
726 65 65 PRO HD2 H 3.72 0.02 2
727 65 65 PRO HD3 H 3.21 0.02 2
728 65 65 PRO C C 179.3 0.2 1
729 65 65 PRO CA C 67.0 0.2 1
730 65 65 PRO CB C 30.5 0.2 1
731 65 65 PRO CG C 28.5 0.2 1
732 65 65 PRO CD C 50 0.2 1
733 66 66 ASP H H 7.80 0.02 1
734 66 66 ASP HA H 4.49 0.02 1
735 66 66 ASP HB2 H 2.71 0.02 2
736 66 66 ASP HB3 H 2.80 0.02 2
737 66 66 ASP C C 178.4 0.2 1
738 66 66 ASP CA C 56.9 0.2 1
739 66 66 ASP CB C 40.5 0.2 1
740 66 66 ASP N N 115.8 0.2 1
741 67 67 MET H H 7.86 0.02 1
742 67 67 MET HA H 4.23 0.02 1
743 67 67 MET HB2 H 2.02 0.02 2
744 67 67 MET HB3 H 2.33 0.02 2
745 67 67 MET HG2 H 2.58 0.02 2
746 67 67 MET HG3 H 2.99 0.02 2
747 67 67 MET C C 178.1 0.2 1
748 67 67 MET CA C 59.1 0.2 1
749 67 67 MET CB C 32.7 0.2 1
750 67 67 MET CG C 33.2 0.2 1
751 67 67 MET N N 118.9 0.2 1
752 68 68 LEU H H 7.84 0.02 1
753 68 68 LEU HA H 4.16 0.02 1
754 68 68 LEU HB2 H 1.50 0.02 2
755 68 68 LEU HB3 H 1.79 0.02 2
756 68 68 LEU HG H 1.59 0.02 1
757 68 68 LEU HD1 H 0.82 0.02 2
758 68 68 LEU HD2 H 0.48 0.02 2
759 68 68 LEU C C 178.7 0.2 1
760 68 68 LEU CA C 56.3 0.2 1
761 68 68 LEU CB C 41.9 0.2 1
762 68 68 LEU CG C 26.9 0.2 1
763 68 68 LEU CD1 C 25.5 0.2 2
764 68 68 LEU CD2 C 22.1 0.2 2
765 68 68 LEU N N 117.8 0.2 1
766 69 69 ARG H H 7.84 0.02 1
767 69 69 ARG HA H 4.26 0.02 1
768 69 69 ARG HB2 H 1.95 0.02 2
769 69 69 ARG HB3 H 1.95 0.02 2
770 69 69 ARG HG2 H 1.71 0.02 2
771 69 69 ARG HG3 H 1.81 0.02 2
772 69 69 ARG HD2 H 3.26 0.02 2
773 69 69 ARG HD3 H 3.26 0.02 2
774 69 69 ARG HE H 7.38 0.02 1
775 69 69 ARG C C 178.1 0.2 1
776 69 69 ARG CA C 58.2 0.2 1
777 69 69 ARG CB C 30.5 0.2 1
778 69 69 ARG CG C 27.7 0.2 1
779 69 69 ARG CD C 43.4 0.2 1
780 69 69 ARG N N 119.9 0.2 1
781 69 69 ARG NE N 84.5 0.2 1
782 70 70 LYS H H 7.96 0.02 1
783 70 70 LYS HA H 4.26 0.02 1
784 70 70 LYS HB2 H 1.90 0.02 2
785 70 70 LYS HB3 H 1.98 0.02 2
786 70 70 LYS HG2 H 1.49 0.02 2
787 70 70 LYS HG3 H 1.57 0.02 2
788 70 70 LYS HD2 H 1.71 0.02 2
789 70 70 LYS HD3 H 1.71 0.02 2
790 70 70 LYS HE2 H 3.00 0.02 2
791 70 70 LYS HE3 H 3.00 0.02 2
792 70 70 LYS C C 176.9 0.2 1
793 70 70 LYS CA C 57.5 0.2 1
794 70 70 LYS CB C 32.5 0.2 1
795 70 70 LYS CG C 25 0.2 1
796 70 70 LYS CD C 29.2 0.2 1
797 70 70 LYS CE C 42.3 0.2 1
798 70 70 LYS N N 120.3 0.2 1
799 71 71 ASP H H 7.85 0.02 1
800 71 71 ASP HA H 4.69 0.02 1
801 71 71 ASP HB2 H 2.85 0.02 2
802 71 71 ASP HB3 H 2.85 0.02 2
803 71 71 ASP C C 176.5 0.2 1
804 71 71 ASP CA C 54.5 0.2 1
805 71 71 ASP CB C 41.1 0.2 1
806 71 71 ASP N N 119.4 0.2 1
807 72 72 GLY H H 8.16 0.02 1
808 72 72 GLY HA2 H 4.00 0.02 2
809 72 72 GLY HA3 H 4.00 0.02 2
810 72 72 GLY C C 174.2 0.2 1
811 72 72 GLY CA C 45.6 0.2 1
812 72 72 GLY N N 108.3 0.2 1
813 73 73 LYS H H 8.02 0.02 1
814 73 73 LYS HA H 4.40 0.02 1
815 73 73 LYS HB2 H 1.73 0.02 2
816 73 73 LYS HB3 H 1.83 0.02 2
817 73 73 LYS HG2 H 1.37 0.02 2
818 73 73 LYS HG3 H 1.44 0.02 2
819 73 73 LYS HD2 H 1.65 0.02 2
820 73 73 LYS HD3 H 1.65 0.02 2
821 73 73 LYS HE2 H 2.96 0.02 2
822 73 73 LYS HE3 H 2.96 0.02 2
823 73 73 LYS C C 175.9 0.2 1
824 73 73 LYS CA C 55.3 0.2 1
825 73 73 LYS CB C 33.2 0.2 1
826 73 73 LYS CG C 24.7 0.2 1
827 73 73 LYS CD C 28.7 0.2 1
828 73 73 LYS CE C 42.3 0.2 1
829 73 73 LYS N N 119.8 0.2 1
830 74 74 ASP H H 8.38 0.02 1
831 74 74 ASP HA H 4.86 0.02 1
832 74 74 ASP HB2 H 2.62 0.02 2
833 74 74 ASP HB3 H 2.82 0.02 2
834 74 74 ASP CA C 51.6 0.2 1
835 74 74 ASP CB C 41.2 0.2 1
836 74 74 ASP N N 122.0 0.2 1
837 75 75 PRO HA H 4.34 0.02 1
838 75 75 PRO HB2 H 2.29 0.02 2
839 75 75 PRO HB3 H 2.00 0.02 2
840 75 75 PRO HG2 H 2.00 0.02 2
841 75 75 PRO HG3 H 2.00 0.02 2
842 75 75 PRO HD2 H 3.91 0.02 2
843 75 75 PRO HD3 H 3.87 0.02 2
844 75 75 PRO C C 177.3 0.2 1
845 75 75 PRO CA C 63.9 0.2 1
846 75 75 PRO CB C 32.1 0.2 1
847 75 75 PRO CG C 27.1 0.2 1
848 75 75 PRO CD C 50.8 0.2 1
849 76 76 ASN H H 8.47 0.02 1
850 76 76 ASN HA H 4.64 0.02 1
851 76 76 ASN HB2 H 2.79 0.02 2
852 76 76 ASN HB3 H 2.79 0.02 2
853 76 76 ASN HD21 H 6.98 0.02 2
854 76 76 ASN HD22 H 7.82 0.02 2
855 76 76 ASN C C 175.6 0.2 1
856 76 76 ASN CA C 53.8 0.2 1
857 76 76 ASN CB C 38.5 0.2 1
858 76 76 ASN CG C 177 0.2 1
859 76 76 ASN N N 117.1 0.2 1
860 76 76 ASN ND2 N 114.1 0.2 1
861 77 77 GLN H H 7.95 0.02 1
862 77 77 GLN HA H 4.17 0.02 1
863 77 77 GLN HB2 H 1.93 0.02 2
864 77 77 GLN HB3 H 1.93 0.02 2
865 77 77 GLN HG2 H 2.13 0.02 2
866 77 77 GLN HG3 H 2.13 0.02 2
867 77 77 GLN HE21 H 6.83 0.02 2
868 77 77 GLN HE22 H 7.48 0.02 2
869 77 77 GLN C C 175.8 0.2 1
870 77 77 GLN CA C 56.4 0.2 1
871 77 77 GLN CB C 28.8 0.2 1
872 77 77 GLN CG C 33.5 0.2 1
873 77 77 GLN CD C 180.1 0.2 1
874 77 77 GLN N N 119.0 0.2 1
875 77 77 GLN NE2 N 112.4 0.2 1
876 78 78 PHE H H 8.05 0.02 1
877 78 78 PHE HA H 4.68 0.02 1
878 78 78 PHE HB2 H 2.97 0.02 2
879 78 78 PHE HB3 H 3.23 0.02 2
880 78 78 PHE HD1 H 7.27 0.02 3
881 78 78 PHE HD2 H 7.27 0.02 3
882 78 78 PHE C C 175.8 0.2 1
883 78 78 PHE CA C 57.9 0.2 1
884 78 78 PHE CB C 39.4 0.2 1
885 78 78 PHE CD1 C 132.1 0.2 3
886 78 78 PHE CD2 C 132.1 0.2 3
887 78 78 PHE N N 119.6 0.2 1
888 79 79 THR H H 7.92 0.02 1
889 79 79 THR HA H 4.34 0.02 1
890 79 79 THR HB H 4.19 0.02 1
891 79 79 THR HG2 H 1.19 0.02 1
892 79 79 THR C C 174.5 0.2 1
893 79 79 THR CA C 62.1 0.2 1
894 79 79 THR CB C 69.8 0.2 1
895 79 79 THR CG2 C 21.8 0.2 1
896 79 79 THR N N 115.2 0.2 1
897 80 80 ILE H H 8.09 0.02 1
898 80 80 ILE HA H 4.16 0.02 1
899 80 80 ILE HB H 1.86 0.02 1
900 80 80 ILE HG12 H 1.19 0.02 2
901 80 80 ILE HG13 H 1.49 0.02 2
902 80 80 ILE HG2 H 0.91 0.02 1
903 80 80 ILE HD1 H 0.86 0.02 1
904 80 80 ILE C C 176.3 0.2 1
905 80 80 ILE CA C 61.5 0.2 1
906 80 80 ILE CB C 38.7 0.2 1
907 80 80 ILE CG1 C 27.3 0.2 1
908 80 80 ILE CG2 C 17.4 0.2 1
909 80 80 ILE CD1 C 13 0.2 1
910 80 80 ILE N N 122.7 0.2 1
911 81 81 SER H H 8.31 0.02 1
912 81 81 SER HA H 4.44 0.02 1
913 81 81 SER HB2 H 3.86 0.02 2
914 81 81 SER HB3 H 3.86 0.02 2
915 81 81 SER C C 174.5 0.2 1
916 81 81 SER CA C 58.3 0.2 1
917 81 81 SER CB C 63.7 0.2 1
918 81 81 SER N N 119.3 0.2 1
919 82 82 ARG H H 8.28 0.02 1
920 82 82 ARG HA H 4.34 0.02 1
921 82 82 ARG HB2 H 1.74 0.02 2
922 82 82 ARG HB3 H 1.87 0.02 2
923 82 82 ARG HG2 H 1.62 0.02 2
924 82 82 ARG HG3 H 1.62 0.02 2
925 82 82 ARG HD2 H 3.15 0.02 2
926 82 82 ARG HD3 H 3.17 0.02 2
927 82 82 ARG C C 176.2 0.2 1
928 82 82 ARG CA C 56.1 0.2 1
929 82 82 ARG CB C 30.6 0.2 1
930 82 82 ARG CG C 27 0.2 1
931 82 82 ARG CD C 43.4 0.2 1
932 82 82 ARG N N 123.2 0.2 1
933 83 83 ARG H H 8.31 0.02 1
934 83 83 ARG HA H 4.29 0.02 1
935 83 83 ARG HB2 H 1.78 0.02 2
936 83 83 ARG HB3 H 1.86 0.02 2
937 83 83 ARG HG2 H 1.62 0.02 2
938 83 83 ARG HG3 H 1.62 0.02 2
939 83 83 ARG HD2 H 3.19 0.02 2
940 83 83 ARG HD3 H 3.17 0.02 2
941 83 83 ARG C C 176.8 0.2 1
942 83 83 ARG CA C 56.5 0.2 1
943 83 83 ARG CB C 30.6 0.2 1
944 83 83 ARG CG C 27 0.2 1
945 83 83 ARG CD C 43.4 0.2 1
946 83 83 ARG N N 122.1 0.2 1
947 84 84 GLY H H 8.41 0.02 1
948 84 84 GLY HA2 H 3.94 0.02 2
949 84 84 GLY HA3 H 3.94 0.02 2
950 84 84 GLY C C 173.7 0.2 1
951 84 84 GLY CA C 45.1 0.2 1
952 84 84 GLY N N 110.3 0.2 1
953 85 85 ALA H H 8.06 0.02 1
954 85 85 ALA HA H 4.31 0.02 1
955 85 85 ALA HB H 1.38 0.02 1
956 85 85 ALA C C 177.5 0.2 1
957 85 85 ALA CA C 52.3 0.2 1
958 85 85 ALA CB C 19.5 0.2 1
959 85 85 ALA N N 123.6 0.2 1
960 86 86 LYS H H 8.31 0.02 1
961 86 86 LYS HA H 4.33 0.02 1
962 86 86 LYS HB2 H 1.74 0.02 2
963 86 86 LYS HB3 H 1.82 0.02 2
964 86 86 LYS HG2 H 1.39 0.02 2
965 86 86 LYS HG3 H 1.46 0.02 2
966 86 86 LYS C C 176.4 0.2 1
967 86 86 LYS CA C 56.2 0.2 1
968 86 86 LYS CB C 33.0 0.2 1
969 86 86 LYS CG C 24.7 0.2 1
970 86 86 LYS CD C 29 0.2 1
971 86 86 LYS CE C 42.1 0.2 1
972 86 86 LYS N N 120.8 0.2 1
973 87 87 ILE H H 8.22 0.02 1
974 87 87 ILE HA H 4.21 0.02 1
975 87 87 ILE HB H 1.87 0.02 1
976 87 87 ILE HG12 H 1.19 0.02 2
977 87 87 ILE HG13 H 1.19 0.02 2
978 87 87 ILE HG2 H 0.91 0.02 1
979 87 87 ILE HD1 H 0.86 0.02 1
980 87 87 ILE C C 176.0 0.2 1
981 87 87 ILE CA C 61.1 0.2 1
982 87 87 ILE CB C 38.8 0.2 1
983 87 87 ILE CG1 C 27.2 0.2 1
984 87 87 ILE CG2 C 17.4 0.2 1
985 87 87 ILE CD1 C 13 0.2 1
986 87 87 ILE N N 122.6 0.2 1
987 88 88 SER H H 8.31 0.02 1
988 88 88 SER HA H 4.49 0.02 1
989 88 88 SER HB2 H 3.87 0.02 2
990 88 88 SER HB3 H 3.87 0.02 2
991 88 88 SER C C 173.4 0.2 1
992 88 88 SER CA C 58.1 0.2 1
993 88 88 SER CB C 64.0 0.2 1
994 88 88 SER N N 120.0 0.2 1
995 89 89 GLU H H 8.05 0.02 1
996 89 89 GLU HA H 4.19 0.02 1
997 89 89 GLU HB2 H 1.91 0.02 2
998 89 89 GLU HB3 H 1.91 0.02 2
999 89 89 GLU HG2 H 2.29 0.02 2
1000 89 89 GLU HG3 H 2.55 0.02 2
1001 89 89 GLU C C 58.3 0.2 1
1002 89 89 GLU CA C 57.7 0.2 1
1003 89 89 GLU CB C 30.5 0.2 1
1004 89 89 GLU N N 127.5 0.2 1
stop_
save_
save_Nnoesy.list
_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 HN
2 H H
3 H NH
stop_
_Sample_label $NC5_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_Nnoesy.list
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode Nnoesy.list
>> _Spectral_peak_list.Entry_ID 17971
>> _Spectral_peak_list.ID 1
>> _Spectral_peak_list.Sample_ID 2
>> _Spectral_peak_list.Sample_label $NC5_sample
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Experiment_ID 7
>> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>> 104.141 3.973 7.835 12852206
>> 104.141 0.750 7.838 4351091
>> 104.141 1.194 7.836 23443612
>> 104.141 4.484 7.836 34126524
>> 104.141 4.313 7.840 5166816
>> 104.162 8.344 7.832 16162890
>> 104.162 7.716 7.834 37462692
>> 104.169 4.037 7.833 20163096
>> 104.185 2.143 7.836 11638689
>> 104.197 2.360 7.847 3300927
>> 104.201 2.040 7.836 7771310
>> 108.118 2.635 6.562 3724325
>> 108.134 2.374 7.228 14702394
>> 108.136 0.924 6.564 7662244
>> 108.151 2.368 6.564 5922198
>> 108.156 6.563 7.223 177602000
>> 108.156 0.764 7.226 3721984
>> 108.156 0.935 7.228 7531586
>> 108.167 7.226 6.565 182865472
>> 108.306 1.926 8.162 3557490
>> 108.306 4.269 8.162 12844439
>> 108.306 7.850 8.158 29195776
>> 108.306 8.016 8.158 27381218
>> 108.317 2.844 8.163 13539417
>> 108.322 3.992 8.164 80285496
>> 108.323 4.691 8.163 28583780
>> 110.121 3.914 8.521 3254392
>> 110.300 1.621 8.407 3998732
>> 110.313 1.781 8.409 6759939
>> 110.319 3.936 8.410 52123020
>> 110.320 4.297 8.411 44254500
>> 110.327 1.860 8.411 8003360
>> 110.816 2.890 7.559 19694876
>> 110.822 7.559 6.907 147109968
>> 110.825 6.899 7.558 172587808
>> 110.843 2.886 6.910 11673304
>> 111.272 7.612 6.847 191032960
>> 111.272 2.940 6.856 6400269
>> 111.272 2.816 6.854 5053890
>> 111.272 1.600 6.849 5715704
>> 111.272 0.954 6.849 10967303
>> 111.275 2.940 7.608 13697844
>> 111.275 2.820 7.610 6574792
>> 111.275 0.921 7.601 4889242
>> 111.275 1.600 7.608 5490539
>> 111.275 6.840 7.607 166616352
>> 111.277 2.529 7.409 4518298
>> 111.277 6.799 7.410 306538528
>> 111.278 7.405 6.795 333946752
>> 112.007 2.465 7.529 5703449
>> 112.045 7.537 6.904 266177904
>> 112.050 6.895 7.527 349983616
>> 112.387 2.116 7.480 8400830
>> 112.396 7.482 6.832 261865424
>> 112.409 6.822 7.483 197196800
>> 112.713 2.502 7.535 5797864
>> 112.713 2.335 7.531 12139365
>> 112.933 0.876 6.996 4509514
>> 112.956 2.494 7.658 19639366
>> 112.990 6.992 7.658 139939424
>> 113.004 7.656 6.994 137615632
>> 113.006 2.496 6.993 10137146
>> 113.010 0.923 7.653 6241758
>> 113.010 0.855 7.653 6636258
>> 113.210 3.232 7.309 16017264
>> 113.210 1.947 7.306 11073097
>> 113.210 1.670 7.309 5303191
>> 113.366 1.610 7.216 6039704
>> 113.366 1.929 7.219 3202583
>> 113.366 3.158 7.226 15293690
>> 113.400 1.778 7.217 5088700
>> 113.430 2.047 7.128 5116784
>> 113.456 2.923 7.128 10238901
>> 113.463 3.264 7.378 17401088
>> 113.463 1.956 7.380 5429884
>> 113.463 1.725 7.387 5134030
>> 113.521 1.836 7.125 5305498
>> 113.740 3.172 7.177 10123091
>> 113.740 1.605 7.189 4154088
>> 114.138 2.790 7.818 12103399
>> 114.141 2.793 6.982 5499518
>> 114.144 7.807 6.974 189196048
>> 114.162 6.970 7.823 259348432
>> 114.389 6.944 7.506 317233792
>> 114.389 7.513 6.945 188569568
>> 114.404 2.560 7.507 10719422
>> 114.405 2.662 7.507 12308744
>> 114.584 4.268 7.992 9479830
>> 114.584 4.347 7.990 20469602
>> 114.584 8.479 7.989 37978848
>> 114.584 6.898 7.989 44378764
>> 114.584 3.613 7.987 13512530
>> 114.584 3.197 7.992 4645184
>> 114.584 1.778 7.987 22705112
>> 114.584 1.658 7.994 34769044
>> 114.584 1.547 7.994 12124651
>> 114.612 1.930 7.991 27690740
>> 114.670 2.379 7.778 24434046
>> 114.682 6.881 7.781 246482976
>> 114.700 2.378 6.888 9352835
>> 114.705 7.774 6.886 211379552
>> 114.800 1.642 6.909 9046902
>> 114.800 1.799 6.911 20565154
>> 114.800 1.919 6.914 44462856
>> 114.800 2.035 6.909 7850797
>> 114.800 3.629 6.911 5848534
>> 114.800 4.391 6.911 10026946
>> 114.842 8.504 6.910 21536844
>> 114.842 7.998 6.910 42796280
>> 114.848 4.269 6.910 22019048
>> 114.875 4.002 6.907 6255775
>> 115.096 2.055 7.436 15788028
>> 115.101 4.148 7.431 11454650
>> 115.101 3.957 7.434 17242890
>> 115.101 3.772 7.434 6255332
>> 115.101 0.954 7.434 3636308
>> 115.104 4.083 7.432 12795936
>> 115.105 2.496 7.428 6142001
>> 115.106 2.005 7.434 15921524
>> 115.115 7.656 7.434 31614894
>> 115.119 9.229 7.436 13318373
>> 115.196 8.049 7.911 60505336
>> 115.196 8.114 7.908 21825280
>> 115.202 1.199 7.912 14276447
>> 115.206 3.237 7.915 9543202
>> 115.217 4.682 7.915 34000660
>> 115.220 4.187 7.915 16809552
>> 115.224 3.888 7.722 3848188
>> 115.224 4.017 7.722 3443755
>> 115.224 4.308 7.725 10320590
>> 115.224 4.484 7.720 12680129
>> 115.224 3.273 7.722 11938145
>> 115.224 2.677 7.720 24656964
>> 115.224 1.138 7.729 7453702
>> 115.224 6.656 7.720 7348217
>> 115.224 7.030 7.722 9467380
>> 115.224 8.088 7.725 30510478
>> 115.229 2.974 7.916 5140270
>> 115.231 4.323 7.915 15494307
>> 115.488 3.611 7.725 6190436
>> 115.488 3.444 7.732 7577173
>> 115.522 1.272 9.023 26643826
>> 115.522 1.647 9.023 4085643
>> 115.522 3.758 9.023 25157068
>> 115.522 3.874 9.025 5819125
>> 115.522 4.142 9.025 19430698
>> 115.522 8.019 9.025 18866390
>> 115.540 4.043 9.022 11529701
>> 115.542 4.446 9.024 29133446
>> 115.543 4.549 9.024 49549348
>> 115.751 2.120 7.791 4310175
>> 115.751 2.698 7.795 23683982
>> 115.751 2.790 7.795 48371284
>> 115.751 3.211 7.793 11267690
>> 115.751 3.714 7.797 4455148
>> 115.751 4.602 7.795 4780916
>> 115.751 7.864 7.788 34578320
>> 115.762 4.151 7.655 4894308
>> 115.762 8.185 7.653 27709832
>> 115.762 6.628 7.655 25861016
>> 115.762 3.033 7.658 9439696
>> 115.781 4.484 7.793 24810602
>> 115.787 1.849 7.795 17400886
>> 115.788 2.295 7.795 11372471
>> 115.790 1.690 7.656 21264396
>> 115.795 4.377 7.657 12723497
>> 115.799 4.177 7.792 7701557
>> 115.803 1.934 7.658 10300258
>> 115.820 3.740 7.660 6369774
>> 115.921 4.139 8.554 3437374
>> 115.921 4.567 8.554 5582321
>> 115.921 4.017 8.554 3021574
>> 115.921 3.204 8.549 25117512
>> 115.921 3.065 8.554 22421702
>> 115.921 2.210 8.549 8923615
>> 115.921 1.813 8.549 4547397
>> 115.960 0.989 8.551 3465926
>> 115.963 2.516 8.550 15224487
>> 115.973 2.026 8.346 13346804
>> 115.973 2.132 8.348 21838320
>> 115.973 7.792 8.348 26314874
>> 115.973 7.833 8.349 20451848
>> 115.978 8.182 8.549 16547471
>> 115.980 2.026 8.547 8306726
>> 115.980 9.154 8.549 14899318
>> 115.989 2.367 8.349 10330769
>> 115.995 4.228 8.555 11756215
>> 115.995 2.645 8.350 24055810
>> 115.999 3.998 8.350 26315186
>> 116.000 2.248 8.349 19603170
>> 116.212 8.742 7.243 21073800
>> 116.212 7.938 7.245 11040614
>> 116.212 4.398 7.250 15610620
>> 116.212 2.661 7.245 33750152
>> 116.212 2.559 7.248 21199774
>> 116.232 1.910 7.247 22905260
>> 116.252 3.691 7.248 4357806
>> 116.253 0.937 7.248 11533944
>> 117.119 7.952 8.470 29174186
>> 117.119 2.790 8.472 69518744
>> 117.119 3.869 8.474 17876194
>> 117.119 3.910 8.472 10284169
>> 117.143 4.640 8.473 30192078
>> 117.145 4.343 8.472 27603276
>> 117.156 2.290 8.471 5491696
>> 117.159 1.995 8.475 25245310
>> 117.318 6.080 8.338 6628344
>> 117.318 7.467 8.340 8891056
>> 117.318 7.952 8.338 10160983
>> 117.318 8.418 8.336 36503152
>> 117.339 3.203 8.337 32774716
>> 117.344 3.960 8.337 13745848
>> 117.345 3.630 8.503 5692172
>> 117.350 3.368 8.335 13104074
>> 117.392 4.000 8.501 18493102
>> 117.392 8.751 8.495 15644182
>> 117.392 6.912 8.502 14917245
>> 117.392 2.065 8.500 25522004
>> 117.392 1.825 8.500 11137759
>> 117.392 1.349 8.500 6787736
>> 117.393 0.298 8.504 17272290
>> 117.550 1.608 9.103 11991407
>> 117.551 1.896 9.106 8516568
>> 117.551 2.566 9.104 25701302
>> 117.551 4.036 9.104 21048336
>> 117.551 4.438 9.109 11590884
>> 117.551 4.558 9.109 16534569
>> 117.551 7.644 9.104 4277598
>> 117.551 7.899 9.109 5438315
>> 117.551 2.498 9.105 16722635
>> 117.566 0.845 9.105 13481555
>> 117.574 4.755 9.104 54576292
>> 117.578 1.435 9.104 25400192
>> 117.609 3.926 8.387 5320580
>> 117.609 3.375 8.402 6825120
>> 117.609 3.209 8.406 13569874
>> 117.612 0.650 9.107 4442527
>> 117.637 4.652 8.384 5552838
>> 117.733 1.994 7.841 5660012
>> 117.749 4.241 7.837 10123272
>> 117.749 0.471 7.837 6023910
>> 117.749 0.817 7.830 6489706
>> 117.760 0.838 8.466 8806981
>> 117.760 1.499 8.469 4239506
>> 117.760 2.270 8.471 3664276
>> 117.760 3.879 8.469 26307118
>> 117.760 7.792 8.466 21489054
>> 117.767 1.782 7.837 23455106
>> 117.767 1.750 8.470 12234071
>> 117.772 1.581 7.840 20847406
>> 117.772 7.856 7.836 194463024
>> 117.776 4.009 8.469 60513332
>> 117.784 2.322 7.838 12897193
>> 117.786 4.177 7.838 17154578
>> 117.793 0.942 8.470 10363249
>> 118.046 3.840 8.504 19417426
>> 118.054 4.742 8.506 171012256
>> 118.057 4.434 8.511 9805082
>> 118.084 3.214 8.507 5619728
>> 118.218 0.764 7.110 20775944
>> 118.218 1.092 7.112 16947852
>> 118.218 1.222 7.110 9118469
>> 118.218 1.739 7.110 78301184
>> 118.218 2.058 7.110 21088126
>> 118.218 2.150 7.110 10378368
>> 118.218 3.763 7.112 24818096
>> 118.218 4.063 7.112 7920576
>> 118.218 7.839 7.110 23993324
>> 118.218 7.082 7.113 391271264
>> 118.225 2.379 7.113 6813204
>> 118.236 4.380 6.648 5151806
>> 118.248 0.835 8.688 5980600
>> 118.260 8.384 8.701 17195980
>> 118.260 8.772 8.701 32854962
>> 118.260 4.562 8.759 9212158
>> 118.260 4.110 8.754 5002702
>> 118.260 2.950 8.754 19450450
>> 118.260 2.820 8.754 8774409
>> 118.260 0.954 8.754 4032314
>> 118.260 3.185 8.703 22180248
>> 118.260 3.074 8.703 10394442
>> 118.260 4.202 8.703 13715414
>> 118.265 2.289 8.700 20756628
>> 118.280 0.969 8.699 10289251
>> 118.286 1.138 6.646 15630352
>> 118.286 1.351 6.643 7198076
>> 118.286 3.888 6.648 10808696
>> 118.286 7.672 6.646 14258499
>> 118.286 7.735 6.644 3586241
>> 118.307 1.718 6.648 12546902
>> 118.450 4.202 8.750 5927270
>> 118.458 3.085 8.752 9417805
>> 118.458 8.412 8.749 11735485
>> 118.458 8.703 8.747 42346844
>> 118.466 3.179 8.753 12989739
>> 118.581 1.642 7.899 27676740
>> 118.581 8.393 7.900 25733554
>> 118.581 9.091 7.899 3836864
>> 118.581 8.023 7.899 22649950
>> 118.581 4.442 7.899 3720322
>> 118.581 4.123 7.899 17155418
>> 118.581 2.566 7.897 35578384
>> 118.581 2.497 7.894 39890068
>> 118.581 1.873 7.901 11504234
>> 118.778 3.202 8.191 9618807
>> 118.790 1.730 8.189 21668676
>> 118.790 1.933 8.191 33619544
>> 118.790 2.178 8.191 10179035
>> 118.790 2.340 8.194 14071069
>> 118.790 4.558 8.194 3656464
>> 118.790 7.654 8.187 20020504
>> 118.790 7.108 8.191 3820675
>> 118.790 8.550 8.189 19513848
>> 118.792 4.223 8.192 9235437
>> 118.800 3.734 8.191 20571152
>> 118.804 3.066 8.190 20435918
>> 118.917 2.808 7.865 14611089
>> 118.917 7.804 7.858 83768056
>> 118.917 4.371 7.853 8036227
>> 118.917 2.023 7.844 15942969
>> 118.917 8.913 7.867 4056088
>> 118.917 7.837 7.857 487481664
>> 118.921 1.337 8.700 17769558
>> 118.921 0.880 8.704 8404122
>> 118.921 7.552 8.703 14249917
>> 118.921 7.854 8.705 13102396
>> 118.926 3.921 8.708 7440244
>> 118.943 3.487 8.706 11902551
>> 118.944 2.161 8.705 7306332
>> 118.945 1.856 8.706 21113734
>> 118.946 2.991 7.855 22105616
>> 118.948 1.578 8.707 15593167
>> 118.996 4.643 7.945 24053102
>> 118.999 4.166 7.942 21642760
>> 119.003 2.797 7.944 21988596
>> 119.003 1.912 7.943 44272848
>> 119.003 2.111 7.943 21064232
>> 119.003 4.329 7.941 6062498
>> 119.003 8.465 7.945 36339852
>> 119.008 2.718 7.865 21213082
>> 119.027 1.825 9.230 11132293
>> 119.028 0.295 8.472 5055030
>> 119.028 0.924 8.470 10929708
>> 119.028 1.547 8.467 27310010
>> 119.028 3.197 8.474 6153476
>> 119.028 3.604 8.472 19045092
>> 119.028 4.625 8.474 11987151
>> 119.028 7.702 8.467 47459924
>> 119.028 7.993 8.465 23615856
>> 119.028 1.784 8.466 14572546
>> 119.028 1.678 8.470 27849226
>> 119.031 4.221 7.854 14224621
>> 119.034 1.734 8.569 32079862
>> 119.038 4.008 9.229 11575997
>> 119.038 1.992 9.229 6120219
>> 119.041 4.501 7.870 22745826
>> 119.048 9.228 9.234 252036496
>> 119.048 1.926 9.231 7683780
>> 119.048 8.781 9.226 11542768
>> 119.048 7.432 9.233 13590085
>> 119.048 2.386 9.231 9211464
>> 119.048 2.460 9.231 5797388
>> 119.048 2.058 9.231 32831534
>> 119.048 1.476 9.229 5792116
>> 119.055 1.294 7.867 6268498
>> 119.057 4.137 9.231 16015814
>> 119.064 2.321 7.848 22652234
>> 119.064 2.585 7.861 11084382
>> 119.064 7.104 7.868 11191387
>> 119.064 4.609 7.870 9295522
>> 119.070 4.357 8.472 6955580
>> 119.078 4.614 7.706 7472213
>> 119.081 8.920 8.071 8612865
>> 119.081 7.709 8.069 30649702
>> 119.081 4.909 8.083 12690072
>> 119.081 4.488 8.083 7689549
>> 119.081 4.387 8.083 3855016
>> 119.081 3.282 8.080 4057745
>> 119.081 2.880 8.078 14749741
>> 119.081 2.682 8.083 3853564
>> 119.081 1.314 8.083 4753996
>> 119.083 8.479 7.707 50528144
>> 119.083 4.366 7.710 15897955
>> 119.083 4.010 7.710 7712577
>> 119.083 3.724 7.714 13615866
>> 119.083 3.197 7.712 12809610
>> 119.083 2.301 7.710 22249504
>> 119.087 1.553 7.710 14066728
>> 119.094 1.706 7.712 15676128
>> 119.108 1.715 8.467 29153868
>> 119.116 1.395 7.709 26127374
>> 119.126 1.003 7.708 13983940
>> 119.150 9.109 8.552 18833598
>> 119.150 7.848 8.559 21943246
>> 119.150 4.488 8.554 10049061
>> 119.150 3.948 8.556 12790544
>> 119.150 2.460 8.554 18320110
>> 119.150 2.086 8.556 60400756
>> 119.150 2.021 8.556 37921588
>> 119.150 1.462 8.566 21287762
>> 119.150 0.926 8.563 10524476
>> 119.150 0.672 8.566 4414290
>> 119.150 -0.174 8.568 6073806
>> 119.158 3.989 8.555 11887508
>> 119.158 7.818 8.570 21943246
>> 119.169 4.128 8.557 30431428
>> 119.238 0.908 8.317 10961474
>> 119.245 1.856 8.317 11833368
>> 119.245 3.862 8.313 23056268
>> 119.261 4.434 8.310 17207670
>> 119.261 4.146 8.315 51264720
>> 119.294 1.183 8.313 4222456
>> 119.325 1.730 7.840 6439164
>> 119.325 2.030 7.838 35477448
>> 119.325 2.160 7.838 35178200
>> 119.325 2.368 7.838 12177498
>> 119.325 2.843 7.847 33759712
>> 119.325 4.008 7.847 6761604
>> 119.325 4.696 7.849 17257274
>> 119.325 7.108 7.833 19268840
>> 119.325 7.660 7.832 32092422
>> 119.329 3.107 7.838 6394444
>> 119.344 3.807 7.834 20440422
>> 119.373 0.971 7.833 12780051
>> 119.397 4.259 7.854 21288656
>> 119.397 1.926 7.854 12493257
>> 119.397 8.160 7.853 17943672
>> 119.397 7.956 7.853 49901696
>> 119.548 7.268 8.035 10158929
>> 119.548 7.933 8.033 57646344
>> 119.548 4.167 8.038 27725068
>> 119.563 4.679 8.040 18169834
>> 119.571 -0.491 8.616 6555319
>> 119.580 4.083 7.655 14461682
>> 119.580 0.644 7.662 9064163
>> 119.580 0.833 7.660 17606204
>> 119.580 0.940 7.660 76654496
>> 119.580 1.203 7.655 6792094
>> 119.580 1.434 7.662 13361872
>> 119.580 1.582 7.660 33286472
>> 119.580 3.768 7.655 9854896
>> 119.580 4.465 7.658 15297505
>> 119.580 7.423 7.651 50744972
>> 119.580 7.834 7.648 46548460
>> 119.580 3.940 7.656 19186430
>> 119.580 1.535 7.660 22386894
>> 119.591 4.013 8.621 16085642
>> 119.592 0.396 8.616 21353762
>> 119.599 2.129 8.038 3997485
>> 119.617 3.108 7.653 26780212
>> 119.618 -0.290 8.617 4018537
>> 119.619 1.913 8.032 13879952
>> 119.619 2.023 7.654 60060588
>> 119.645 3.652 8.625 5256775
>> 119.684 4.005 7.656 49492964
>> 119.694 0.981 8.616 5697738
>> 119.694 1.249 8.619 4601716
>> 119.694 1.688 8.616 4128424
>> 119.694 1.952 8.616 65274916
>> 119.694 3.111 8.616 5943818
>> 119.694 3.795 8.621 8894615
>> 119.694 7.095 8.614 23976986
>> 119.694 8.589 8.614 340087584
>> 119.749 4.304 7.660 24255464
>> 119.756 4.757 7.659 19630290
>> 119.771 8.382 8.015 15766892
>> 119.771 8.160 8.017 32515462
>> 119.771 3.215 8.033 5014087
>> 119.771 2.975 8.033 11646203
>> 119.771 2.841 8.022 6414575
>> 119.771 1.728 8.017 36004340
>> 119.771 1.381 8.019 15646701
>> 119.783 4.395 8.020 25820622
>> 119.803 3.994 8.019 30780546
>> 119.805 7.236 7.938 13906144
>> 119.805 8.363 7.945 1353565
>> 119.805 4.555 7.943 7403314
>> 119.805 3.678 7.938 12154207
>> 119.805 1.136 7.938 9213151
>> 119.805 0.951 7.941 14215193
>> 119.821 3.974 7.948 4722394
>> 119.821 3.219 7.944 8522185
>> 119.865 4.253 7.848 23844010
>> 119.872 1.916 7.941 46452388
>> 119.890 1.504 7.846 6526984
>> 119.916 1.802 7.847 21455012
>> 119.920 4.180 7.849 10422172
>> 119.920 7.961 7.841 47195808
>> 119.920 4.482 7.848 8251368
>> 119.920 1.940 7.846 47920740
>> 119.920 7.837 7.843 413577664
>> 120.003 3.848 8.315 10231504
>> 120.003 4.500 8.308 11744259
>> 120.020 1.870 8.314 5586376
>> 120.032 4.008 8.605 6055425
>> 120.038 4.213 8.316 35362112
>> 120.038 0.916 8.310 5128745
>> 120.131 1.946 8.601 33762960
>> 120.181 4.572 8.601 22884210
>> 120.182 2.930 8.601 40315072
>> 120.184 -0.494 7.073 8462894
>> 120.189 2.795 8.600 19230032
>> 120.196 3.768 8.603 9380803
>> 120.196 7.099 8.596 4884686
>> 120.196 8.208 8.600 15919117
>> 120.196 8.611 8.595 482675808
>> 120.205 8.615 7.073 23197318
>> 120.205 3.745 7.075 6058028
>> 120.205 3.643 7.075 12936983
>> 120.205 3.102 7.073 7647574
>> 120.205 1.938 7.078 4834424
>> 120.205 1.734 7.075 22585036
>> 120.205 1.263 7.078 42858592
>> 120.205 0.404 7.071 30066964
>> 120.205 -0.285 7.078 9389319
>> 120.205 7.120 7.079 249047968
>> 120.211 0.751 7.075 11231667
>> 120.297 1.717 7.952 8635387
>> 120.306 1.930 7.955 50041480
>> 120.306 7.846 7.948 58423376
>> 120.319 4.258 7.954 59128152
>> 120.320 1.574 7.952 13490382
>> 120.476 2.072 9.111 50110256
>> 120.476 2.449 9.112 12956782
>> 120.493 8.559 9.109 19051160
>> 120.499 4.513 9.109 50818844
>> 120.505 4.128 9.108 10287318
>> 120.509 3.913 9.109 20458854
>> 120.726 4.424 8.739 19502408
>> 120.726 3.842 8.741 4478738
>> 120.726 3.195 8.737 8953746
>> 120.726 4.760 8.734 208780304
>> 120.760 2.252 7.780 51741908
>> 120.760 2.506 7.785 15729865
>> 120.760 2.377 7.782 10684624
>> 120.760 4.133 7.780 11016494
>> 120.760 8.342 7.787 25187638
>> 120.760 8.467 7.787 23150810
>> 120.788 4.009 7.782 54343788
>> 120.792 3.883 7.780 8088495
>> 120.822 1.751 8.308 15392955
>> 120.822 1.820 8.310 11414921
>> 120.829 1.389 8.310 11459608
>> 120.830 4.310 8.307 53001672
>> 120.936 4.119 9.598 4668200
>> 120.936 2.169 9.594 10883744
>> 120.936 1.554 9.591 4808817
>> 120.950 4.524 9.595 22928276
>> 120.972 4.133 8.378 4543055
>> 120.983 0.833 8.374 38767456
>> 120.983 0.963 8.374 10186139
>> 120.983 3.486 8.376 15015908
>> 120.983 3.749 8.381 7698342
>> 120.983 7.903 8.379 16691066
>> 120.983 8.712 8.381 11514925
>> 120.997 1.872 8.374 5258000
>> 121.004 2.283 8.378 36873232
>> 121.010 2.572 8.376 12203190
>> 121.235 4.217 9.154 6460505
>> 121.235 4.008 9.155 6488452
>> 121.235 2.515 9.153 23303778
>> 121.235 2.026 9.155 27312304
>> 121.235 1.813 9.155 5062930
>> 121.235 1.217 9.157 5803888
>> 121.235 0.995 9.157 5470410
>> 121.238 8.561 9.153 16537677
>> 121.248 8.197 9.155 18112558
>> 121.254 4.143 9.156 13648008
>> 121.256 3.687 9.155 17701860
>> 121.256 3.438 9.154 6313496
>> 121.323 2.005 7.870 7003192
>> 121.323 2.452 7.870 10170191
>> 121.323 2.181 7.870 14367784
>> 121.323 1.573 7.870 10588786
>> 121.323 2.101 7.870 14365609
>> 121.335 8.564 7.808 17240948
>> 121.335 7.552 7.806 16700710
>> 121.335 4.000 7.810 9504159
>> 121.335 1.716 7.803 44919708
>> 121.335 0.926 7.803 5950812
>> 121.335 3.933 7.811 6343882
>> 121.339 4.124 7.813 17292650
>> 121.343 4.740 8.706 51783768
>> 121.343 4.675 8.708 8033240
>> 121.343 3.170 8.710 2503289
>> 121.352 1.509 7.812 27253764
>> 121.357 8.548 7.866 17196892
>> 121.371 8.703 7.554 18597794
>> 121.371 7.820 7.551 19599912
>> 121.371 4.133 7.554 8276254
>> 121.371 3.906 7.558 4697886
>> 121.371 3.486 7.551 5835266
>> 121.371 1.286 7.554 3866178
>> 121.393 1.858 7.554 15496385
>> 121.394 1.510 7.555 60950128
>> 121.399 4.009 7.555 21967252
>> 121.405 3.958 7.865 13625820
>> 121.406 4.127 7.859 8242940
>> 121.419 8.718 7.869 14856556
>> 121.999 1.713 8.371 7730352
>> 122.010 2.622 8.373 31177590
>> 122.012 4.394 8.372 54796232
>> 122.013 2.814 8.373 34040340
>> 122.014 4.857 8.371 20405756
>> 122.046 1.819 8.373 19577132
>> 122.053 4.291 8.311 44264872
>> 122.053 1.741 8.309 18164364
>> 122.053 1.847 8.311 19620484
>> 122.053 1.640 8.315 13899845
>> 122.073 4.332 8.313 47376208
>> 122.171 4.568 8.199 5946603
>> 122.172 2.930 8.204 15616893
>> 122.178 2.798 8.206 9633183
>> 122.188 9.156 8.198 17662916
>> 122.188 8.596 8.198 22662662
>> 122.188 3.689 8.205 26016274
>> 122.188 3.444 8.205 29180772
>> 122.216 4.222 8.202 17236702
>> 122.232 1.956 8.390 37511976
>> 122.232 2.039 8.390 21213924
>> 122.232 3.172 8.385 6698486
>> 122.232 3.310 8.392 4960109
>> 122.232 3.869 8.383 5251340
>> 122.232 4.479 8.383 20985474
>> 122.232 4.752 8.388 85008832
>> 122.232 2.554 8.389 18248588
>> 122.619 4.213 8.228 16069735
>> 122.619 1.187 8.232 7911374
>> 122.619 0.910 8.227 7845998
>> 122.625 4.331 8.228 51590508
>> 122.629 1.864 8.227 24489366
>> 122.638 1.456 8.230 8557340
>> 122.736 4.190 8.092 27073794
>> 122.736 0.905 8.093 14087456
>> 122.736 1.483 8.091 15621940
>> 122.736 1.866 8.093 32618060
>> 122.764 4.152 8.094 17779040
>> 122.765 4.324 8.094 48537424
>> 122.768 1.194 8.094 20143496
>> 122.950 4.148 8.024 25889850
>> 122.961 1.646 8.023 65135148
>> 122.961 4.433 8.025 9045261
>> 122.961 9.035 8.025 13919987
>> 122.961 7.903 8.018 23758322
>> 122.975 3.759 8.023 5392024
>> 123.098 2.819 8.412 6704203
>> 123.116 4.057 8.414 15667379
>> 123.116 0.954 8.411 4216340
>> 123.116 3.158 8.413 27534344
>> 123.116 3.366 8.413 22191520
>> 123.116 3.486 8.413 7704466
>> 123.116 8.749 8.411 16796176
>> 123.116 8.336 8.412 37735048
>> 123.120 4.555 8.411 3719145
>> 123.130 2.935 8.411 11489753
>> 123.207 4.338 8.290 19384974
>> 123.207 4.439 8.288 49030360
>> 123.207 1.598 8.287 14258270
>> 123.207 1.732 8.283 22010618
>> 123.207 1.848 8.285 13952337
>> 123.227 3.862 8.290 9786944
>> 123.353 2.558 8.745 7772200
>> 123.369 0.286 8.749 18376664
>> 123.369 3.969 8.742 4683481
>> 123.369 7.226 8.740 11718438
>> 123.369 8.511 8.745 9478732
>> 123.373 2.660 8.745 6469791
>> 123.391 3.618 8.748 9210110
>> 123.636 3.936 8.054 36286364
>> 123.644 4.310 8.058 19499284
>> 123.645 1.381 8.055 40094344
>> 124.270 1.967 8.780 5849671
>> 124.270 9.234 8.774 10264684
>> 124.270 1.896 8.776 24835494
>> 124.270 1.813 8.778 19087360
>> 124.270 1.697 8.776 5021586
>> 124.270 1.471 8.771 10852251
>> 124.285 4.007 8.775 21545768
>> 124.294 2.502 8.778 8400966
>> 124.299 4.469 8.777 54713404
>> 125.125 1.810 8.525 44941468
>> 125.125 4.022 8.526 4081261
>> 125.125 2.557 8.526 7407070
>> 125.125 1.993 8.529 11161168
>> 125.125 2.067 8.525 17363686
>> 125.128 4.489 8.525 114552240
>> 125.130 1.640 8.525 51149604
>> 125.130 1.338 8.524 18031662
>> 125.134 0.935 8.526 21634010
>> 125.143 4.637 8.525 19061304
>> 127.514 4.489 8.047 26846976
>> 127.529 1.904 8.046 6191201
>> 127.534 4.188 8.058 9802377
>> 129.053 0.954 9.989 40188568
>> 129.053 -0.289 9.987 3755052
>> 129.053 7.123 9.988 64451892
>> 129.081 7.154 9.990 64792616
>> 129.357 8.093 8.921 5549185
>> 129.357 7.113 8.921 3450248
>> 129.361 4.512 8.916 7634610
>> 129.362 1.301 8.917 31880284
>> 129.366 4.904 8.917 31385326
>> 129.369 2.889 8.911 3691103
>> 129.976 -0.174 10.007 3482737
>> 129.976 0.676 10.012 4033476
>> 130.011 7.371 10.008 22959596
>> 130.026 6.873 10.009 11172709
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_source_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 N 15 HN 1 2498.350 . . 17971 1
>> 2 H 1 H 2 9351.144 . . 17971 1
>> 3 H 1 NH 1 15243.902 . . 17971 1
>>
>> stop_
>>
>>save_
>>
;
save_
save_Cnoesy_aliph.list
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '2D 1H-13C HSQC aliphatic'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C Caliph
2 H H
3 H HC
stop_
_Sample_label $NC_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_Cnoesy_aliph.list
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list
>> _Spectral_peak_list.Entry_ID 17971
>> _Spectral_peak_list.ID 2
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $NC_sample
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Experiment_ID 2
>> _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic'
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>> 13.010 1.866 0.857 10784235
>> 13.010 1.481 0.863 16028423
>> 13.010 1.183 0.863 24152166
>> 13.010 0.912 0.859 3529325568
>> 13.522 1.135 0.981 74607864
>> 13.522 1.905 0.981 54088324
>> 13.522 1.945 0.981 36358500
>> 13.522 0.929 0.981 746805248
>> 13.655 4.556 0.975 17823050
>> 13.655 7.944 0.988 4050364
>> 13.830 4.047 0.776 27880544
>> 13.848 2.055 0.775 23553344
>> 13.852 1.111 0.774 51818276
>> 13.856 3.751 0.769 8889464
>> 13.856 2.384 0.786 7868570
>> 13.856 0.750 0.771 1696003200
>> 13.862 7.113 0.777 9622667
>> 13.864 1.745 0.776 73611392
>> 16.638 4.549 0.932 8608530
>> 16.651 7.251 0.931 11797389
>> 16.693 1.916 0.932 106006000
>> 16.694 3.681 0.931 42282768
>> 16.694 1.139 0.935 63680144
>> 16.734 4.400 0.932 12396995
>> 16.773 7.950 0.929 7238341
>> 16.993 4.017 0.754 15892709
>> 16.995 1.195 0.755 69312856
>> 17.000 3.749 0.754 45762156
>> 17.000 1.096 0.756 38835884
>> 17.010 1.737 0.754 96769272
>> 17.028 7.096 0.754 17552260
>> 17.032 -0.158 0.757 7556394
>> 17.040 2.054 0.753 24841410
>> 17.077 2.150 0.757 17467046
>> 17.337 8.087 0.914 7876982
>> 17.337 1.483 0.912 18494862
>> 17.390 8.300 0.913 15628720
>> 17.391 4.167 0.912 35552304
>> 17.400 8.221 0.913 5513318
>> 17.428 1.875 0.912 103543816
>> 17.464 4.102 1.510 67638560
>> 17.524 4.025 1.506 128222664
>> 17.526 1.505 1.506 3677850112
>> 17.530 8.711 1.509 7149631
>> 17.570 7.557 1.505 76835320
>> 17.570 7.817 1.507 49154036
>> 17.784 4.506 1.300 51278520
>> 17.786 1.023 1.302 59453228
>> 17.801 8.908 1.301 45978564
>> 17.808 2.977 1.302 17245164
>> 17.809 4.904 1.305 8272263
>> 17.815 3.883 1.300 18773164
>> 17.859 7.135 1.301 6592206
>> 18.529 8.559 2.226 18090942
>> 18.531 2.565 2.226 55095296
>> 18.547 3.000 2.227 50945436
>> 18.555 0.967 2.226 91684408
>> 18.562 7.120 2.226 25010882
>> 19.054 6.501 0.298 8609591
>> 19.054 1.549 0.298 18300984
>> 19.080 0.978 0.298 90014736
>> 19.083 1.721 0.299 18117898
>> 19.086 3.612 0.298 81430304
>> 19.089 8.761 0.299 51851348
>> 19.091 3.957 0.297 42826832
>> 19.091 0.907 0.297 37480568
>> 19.096 7.129 0.299 8877195
>> 19.101 6.062 0.300 18245686
>> 19.102 1.221 0.299 19276932
>> 19.111 8.495 0.298 23920408
>> 19.445 8.308 1.380 10044713
>> 19.460 8.061 1.379 32655228
>> 19.469 4.311 1.378 45776840
>> 21.584 4.195 1.194 58658616
>> 21.584 4.340 1.194 18882416
>> 21.584 7.916 1.191 12559487
>> 21.623 9.982 0.990 16175951
>> 21.625 7.648 0.987 12156845
>> 21.625 7.830 0.987 8499702
>> 21.625 3.217 0.987 21063612
>> 21.632 3.124 0.988 39584984
>> 21.638 2.012 0.989 100976720
>> 21.638 0.947 0.988 3191865088
>> 21.639 0.833 0.988 118896672
>> 21.652 4.000 0.986 16870590
>> 21.660 2.290 0.979 60619664
>> 21.666 3.785 0.985 12197104
>> 21.669 0.424 0.984 26821090
>> 21.671 8.639 0.986 8592186
>> 21.679 3.491 0.977 43759444
>> 21.679 1.758 0.981 24035200
>> 21.688 7.470 0.980 21344268
>> 21.688 7.155 0.983 45259884
>> 21.688 1.610 0.977 20305018
>> 21.688 1.448 0.981 18787582
>> 21.700 8.391 0.980 10474770
>> 21.717 -0.176 0.974 16992368
>> 21.914 3.762 1.195 15594467
>> 21.914 2.038 1.195 19288554
>> 21.914 2.143 1.195 15817775
>> 21.915 1.752 0.674 22489014
>> 21.924 7.370 0.670 20362074
>> 21.928 1.460 0.672 56197068
>> 21.931 3.672 0.672 18012942
>> 21.935 3.433 0.669 16972642
>> 21.940 3.991 0.673 82502304
>> 21.940 1.736 1.198 56419576
>> 21.941 -0.163 0.673 81946376
>> 21.955 7.832 1.197 32607868
>> 21.961 4.035 1.197 145951680
>> 21.963 0.756 1.200 93785960
>> 21.964 8.558 0.667 8081530
>> 21.979 4.480 1.196 40700464
>> 21.992 7.102 1.195 11692296
>> 21.992 0.429 1.199 42499316
>> 21.995 -0.285 1.196 15948658
>> 21.997 0.929 0.673 38860908
>> 21.997 8.468 0.668 6184851
>> 22.018 2.141 0.678 7567980
>> 22.077 4.168 0.477 57282720
>> 22.087 7.845 0.474 11242834
>> 22.090 1.375 0.480 11926268
>> 22.092 0.831 0.480 68549608
>> 22.097 2.334 0.478 12188618
>> 22.102 6.693 0.478 13627052
>> 22.105 1.079 0.479 16743263
>> 22.134 1.503 0.480 31948522
>> 22.134 1.590 0.480 49537024
>> 22.134 1.787 0.480 16115265
>> 22.300 1.573 0.550 22523986
>> 22.300 1.647 0.549 10112880
>> 22.316 4.144 0.545 15369858
>> 22.558 3.484 1.275 6662760
>> 22.573 1.868 1.276 21869756
>> 22.579 2.791 1.274 8277764
>> 22.582 3.758 1.273 40379624
>> 22.585 8.025 1.276 7763722
>> 22.594 9.021 1.272 25611008
>> 22.598 1.548 1.276 68005152
>> 22.599 3.875 1.273 26250788
>> 22.602 4.124 1.274 66869664
>> 22.657 4.034 1.277 46941940
>> 22.678 9.095 0.851 9890237
>> 22.726 1.541 0.852 101749944
>> 22.729 6.993 0.849 10092655
>> 22.731 4.755 0.851 88633592
>> 22.743 0.646 0.853 166052448
>> 22.760 7.661 0.850 16840654
>> 22.783 1.876 0.851 18564874
>> 22.783 1.640 0.851 37257292
>> 22.783 1.336 0.854 19280454
>> 23.104 9.983 0.950 15336182
>> 23.118 3.997 0.946 35804436
>> 23.122 2.020 0.948 105235456
>> 23.123 3.110 0.947 62557088
>> 23.125 7.832 0.946 10079175
>> 23.132 4.492 0.832 13970948
>> 23.135 7.127 0.945 11456754
>> 23.140 0.979 0.833 136584560
>> 23.141 4.018 0.832 55654904
>> 23.164 1.639 0.946 67659776
>> 23.165 3.752 0.831 18454804
>> 23.165 1.610 0.832 46846552
>> 23.165 1.441 0.832 34492460
>> 23.166 1.317 0.946 62447152
>> 23.181 -0.287 0.945 15182481
>> 23.203 2.285 0.831 63495612
>> 23.203 3.492 0.830 54806400
>> 23.214 8.384 0.830 55366800
>> 23.245 8.693 0.837 9241008
>> 23.252 0.428 0.835 49412328
>> 23.252 -0.282 0.830 18416896
>> 23.252 1.762 0.832 14219613
>> 23.439 1.748 0.436 11901496
>> 23.457 4.633 0.910 151467296
>> 23.457 8.481 0.911 14103929
>> 23.457 7.689 0.913 11072055
>> 23.457 1.554 0.909 117427304
>> 23.465 7.138 0.910 8724154
>> 23.471 7.181 0.433 26224026
>> 23.471 0.999 0.436 31454650
>> 23.471 1.228 0.435 77018368
>> 23.471 7.083 0.432 15303265
>> 23.472 4.016 0.432 9949003
>> 23.477 1.809 0.916 91960808
>> 23.486 3.648 0.435 75050232
>> 23.499 -0.483 0.435 34150332
>> 23.519 -0.283 0.435 103165520
>> 23.529 0.289 0.911 11566385
>> 23.559 0.685 0.436 52117364
>> 23.559 -0.166 0.433 45198108
>> 23.559 1.268 0.434 63250164
>> 23.731 0.975 -0.284 19771346
>> 23.734 7.105 -0.285 13230491
>> 23.751 3.119 -0.284 25961574
>> 23.753 0.644 -0.284 51699688
>> 23.755 0.420 -0.284 103590800
>> 23.757 -0.458 -0.283 71437352
>> 23.757 0.931 -0.287 12287945
>> 23.761 3.649 -0.282 10120810
>> 23.763 3.507 -0.284 7177616
>> 23.764 3.379 -0.286 8663652
>> 23.771 6.064 -0.284 7995396
>> 23.772 1.248 -0.284 51516300
>> 23.811 0.832 -0.283 12353717
>> 23.922 8.574 0.957 6208280
>> 23.927 1.615 0.949 112481256
>> 23.951 4.141 0.948 76734536
>> 23.986 0.429 -0.159 24013540
>> 23.988 6.866 -0.164 15990208
>> 23.998 0.670 -0.163 56518512
>> 23.998 0.982 -0.162 20079540
>> 23.998 0.826 -0.162 13543509
>> 24.003 1.762 -0.160 30332030
>> 24.005 0.486 1.071 18879816
>> 24.007 1.460 -0.163 40317920
>> 24.012 0.929 -0.166 17163432
>> 24.016 3.493 -0.159 15326678
>> 24.024 4.366 1.068 63672432
>> 24.024 7.702 1.064 8379539
>> 24.024 1.355 1.069 101958408
>> 24.025 2.012 1.070 21530468
>> 24.028 1.677 1.068 96983720
>> 24.032 2.314 1.068 45059420
>> 24.034 3.885 1.069 39833900
>> 24.034 1.728 1.070 66959388
>> 24.038 7.832 1.067 9571490
>> 24.099 2.966 1.067 8326786
>> 24.100 6.647 1.143 8283574
>> 24.100 1.724 1.141 9370648
>> 24.100 2.339 1.143 7280902
>> 24.100 2.498 1.145 4020886
>> 24.339 4.121 0.929 43219948
>> 24.339 7.802 0.924 7922745
>> 24.339 7.211 0.929 10900241
>> 24.339 6.559 0.927 9257395
>> 24.339 3.976 0.927 15377488
>> 24.339 1.722 0.927 84160992
>> 24.339 1.612 0.927 68704984
>> 24.553 4.011 1.503 11001177
>> 24.585 8.780 1.471 9351759
>> 24.600 4.009 1.450 10733431
>> 24.600 3.006 1.500 16964364
>> 24.600 3.011 1.454 18151896
>> 24.600 1.452 1.498 1189884288
>> 24.600 1.820 1.498 26227858
>> 24.600 1.912 1.496 20050546
>> 24.600 1.912 1.450 20468064
>> 24.600 1.824 1.454 40235648
>> 24.600 1.496 1.454 1729769088
>> 24.700 8.032 1.442 7521266
>> 24.700 8.032 1.372 6022818
>> 24.700 4.390 1.381 7709165
>> 24.700 4.394 1.451 7237490
>> 24.700 2.950 1.376 9329932
>> 24.700 2.958 1.436 14557701
>> 24.700 1.369 1.436 1352409600
>> 24.700 1.439 1.370 1077439872
>> 24.700 1.829 1.370 17557000
>> 24.700 1.728 1.368 29973612
>> 24.700 1.732 1.438 72058176
>> 24.700 1.833 1.438 34476748
>> 24.700 4.329 1.457 8054890
>> 24.700 4.333 1.385 6597544
>> 24.820 6.057 1.223 10117380
>> 24.828 4.145 1.219 45205908
>> 24.828 0.995 1.220 122877040
>> 24.843 2.513 1.219 17296456
>> 24.845 7.168 1.222 25033878
>> 24.851 7.481 1.221 15767970
>> 24.856 4.502 1.218 7163124
>> 24.868 0.295 1.221 18172236
>> 24.881 1.819 1.220 61091396
>> 24.888 2.029 1.221 35071932
>> 24.904 3.200 0.915 11585012
>> 24.914 7.114 0.918 23057544
>> 24.925 2.506 0.911 9906992
>> 24.926 4.144 0.904 10979651
>> 24.934 6.507 0.923 9041677
>> 24.940 0.295 0.921 40514208
>> 24.941 2.226 0.921 20031086
>> 24.981 3.611 0.922 12787556
>> 24.981 1.554 0.921 119266232
>> 25.014 4.258 1.573 8390794
>> 25.014 3.002 1.484 10945026
>> 25.014 1.978 1.580 18438068
>> 25.014 1.899 1.578 19768316
>> 25.014 1.899 1.488 21827904
>> 25.014 1.978 1.490 23125192
>> 25.014 1.492 1.580 439894368
>> 25.014 1.579 1.481 273376000
>> 25.021 7.958 1.578 9201877
>> 25.031 4.271 1.490 13415787
>> 25.052 3.000 1.578 7127244
>> 25.251 3.114 1.259 6131972
>> 25.282 3.550 0.941 7960218
>> 25.282 8.532 0.947 10652232
>> 25.282 4.635 0.934 12608264
>> 25.294 4.017 0.939 8550586
>> 25.306 3.648 1.258 11026187
>> 25.306 -0.287 1.258 29992658
>> 25.307 7.078 1.257 29794556
>> 25.310 3.165 0.937 9811076
>> 25.337 0.421 1.257 37159300
>> 25.353 0.653 0.947 26859892
>> 25.355 9.980 0.944 7137646
>> 25.360 -0.482 1.261 9097289
>> 25.362 7.167 0.944 31196612
>> 25.374 1.327 0.944 58350968
>> 25.386 -0.284 0.945 15435156
>> 25.386 1.810 0.937 69268160
>> 25.444 2.308 0.833 12767472
>> 25.456 4.348 0.831 11129197
>> 25.471 1.031 0.843 54668056
>> 25.478 7.835 0.829 11541895
>> 25.482 0.474 0.831 73727336
>> 25.482 1.503 0.830 41569784
>> 25.482 1.590 0.830 57743992
>> 25.482 1.792 0.830 44278128
>> 25.496 4.176 0.831 23248558
>> 25.681 1.312 0.055 11790373
>> 25.697 4.307 3.440 31474066
>> 25.701 3.439 3.608 170489760
>> 25.706 3.609 3.440 154258304
>> 25.707 0.046 0.915 53583964
>> 25.710 3.373 0.916 12077564
>> 25.714 1.221 0.642 10842998
>> 25.717 0.919 0.052 47076740
>> 25.717 0.804 0.053 7413819
>> 25.717 0.807 0.922 65893092
>> 25.730 2.455 0.928 8163485
>> 25.730 -0.285 0.643 45563396
>> 25.741 2.453 0.052 11281416
>> 25.743 4.306 3.607 20264860
>> 25.751 1.434 0.646 28495674
>> 25.753 3.369 0.051 7330988
>> 25.753 1.310 0.924 23894816
>> 25.764 3.769 0.643 12699728
>> 25.766 4.026 0.641 24378096
>> 25.771 4.773 0.638 8451685
>> 25.786 3.509 0.637 6043080
>> 25.799 0.852 0.644 87973544
>> 25.799 1.333 0.645 4503813
>> 25.799 1.640 0.641 29144104
>> 25.878 1.555 0.642 54603428
>> 26.092 3.707 1.011 6969896
>> 26.092 2.100 1.013 20212410
>> 26.092 2.309 1.010 46692084
>> 26.092 1.402 1.010 70137584
>> 26.092 1.074 1.010 976240256
>> 26.094 4.371 1.008 9702034
>> 26.106 3.997 1.011 26089526
>> 26.133 1.676 1.010 58183016
>> 26.157 2.926 1.012 10034411
>> 26.276 0.640 1.541 25906344
>> 26.300 4.143 1.824 7285692
>> 26.303 3.487 1.353 6847450
>> 26.324 3.023 1.661 39722196
>> 26.330 4.376 1.643 7178486
>> 26.332 1.868 1.363 9659625
>> 26.336 1.560 0.881 36292452
>> 26.346 1.663 3.026 48277836
>> 26.353 7.658 1.538 10385504
>> 26.360 7.659 1.664 8988262
>> 26.363 4.766 1.537 9485168
>> 26.367 1.354 0.886 83114088
>> 26.369 1.865 0.877 9828095
>> 26.375 2.522 1.817 17137910
>> 26.376 3.481 0.884 11612562
>> 26.377 1.546 1.356 40719764
>> 26.381 4.375 3.025 15184235
>> 26.382 8.712 1.360 13846615
>> 26.394 1.220 1.820 34951740
>> 26.398 0.889 1.356 80069152
>> 26.399 2.776 1.360 9311755
>> 26.406 4.032 1.540 21129040
>> 26.406 2.788 0.890 9617912
>> 26.415 2.020 1.821 16772663
>> 26.431 1.004 1.818 43260600
>> 26.441 0.850 1.543 43741828
>> 26.584 0.958 3.180 10434958
>> 26.600 3.081 3.177 242180688
>> 26.600 3.173 3.083 224828480
>> 26.600 0.957 3.084 11759128
>> 26.600 8.702 3.183 33647932
>> 26.600 8.763 3.181 25770350
>> 26.600 8.702 3.087 32690558
>> 26.600 8.759 3.085 26676762
>> 26.606 4.215 3.087 29951264
>> 26.606 4.123 3.181 24545120
>> 26.606 4.123 3.085 25386400
>> 26.623 4.213 3.182 27135726
>> 26.799 3.997 1.462 14673164
>> 26.820 -0.158 1.460 30385592
>> 26.820 8.468 1.456 10170901
>> 26.820 1.761 1.463 15000891
>> 26.820 0.925 1.463 11327802
>> 26.820 0.662 1.458 31926390
>> 26.826 8.562 1.456 20688656
>> 26.861 2.353 1.597 10421774
>> 26.891 0.927 1.611 128581384
>> 26.892 4.129 1.599 29415890
>> 26.892 7.807 1.590 30170550
>> 26.918 0.480 1.585 29097732
>> 26.918 4.169 1.588 33494580
>> 26.918 7.846 1.592 30170550
>> 26.918 0.822 1.586 57562140
>> 26.992 8.305 1.615 14136428
>> 27.103 3.910 2.006 46604232
>> 27.103 3.871 2.006 46604232
>> 27.103 2.282 2.006 30059310
>> 27.140 0.294 1.558 8014680
>> 27.146 8.468 1.557 16982756
>> 27.146 0.903 1.557 90300704
>> 27.160 3.608 1.555 16087222
>> 27.178 4.640 1.808 11875047
>> 27.184 4.633 1.555 15998902
>> 27.200 0.544 1.577 5834755
>> 27.200 8.221 1.193 5620380
>> 27.232 8.477 2.003 5768422
>> 27.260 6.887 1.615 7222310
>> 27.263 8.525 1.809 26711680
>> 27.263 0.934 1.811 90633872
>> 27.271 1.358 1.811 20188182
>> 27.288 8.482 1.641 6243676
>> 27.289 1.190 1.492 120831808
>> 27.299 4.358 1.534 21240900
>> 27.320 1.470 1.182 82183640
>> 27.336 1.868 1.191 15241351
>> 27.339 7.991 1.639 15243465
>> 27.345 3.152 1.532 29046636
>> 27.345 3.155 1.633 37309204
>> 27.345 4.355 1.633 22544276
>> 27.345 7.984 1.532 11566045
>> 27.345 1.531 1.630 743711168
>> 27.345 1.632 1.534 318398496
>> 27.360 4.158 1.190 9615507
>> 27.362 4.159 1.485 7452749
>> 27.389 0.882 1.485 35083588
>> 27.391 1.874 1.486 19864120
>> 27.399 0.890 1.193 42041216
>> 27.400 8.101 1.485 9408077
>> 27.401 8.098 1.194 7690930
>> 27.430 6.904 1.799 11811925
>> 27.449 4.267 1.626 20513748
>> 27.449 1.803 1.628 229607376
>> 27.449 1.627 1.801 258655216
>> 27.449 3.243 1.795 46986108
>> 27.459 4.263 1.804 19033290
>> 27.699 3.267 1.707 30943204
>> 27.732 4.260 1.706 15002936
>> 27.748 7.863 1.810 9163192
>> 27.748 4.263 1.813 12596607
>> 27.748 3.260 1.809 28088420
>> 27.748 1.951 1.813 78542224
>> 27.748 1.951 1.710 46007108
>> 27.748 1.811 1.710 165843744
>> 27.748 1.711 1.811 305156000
>> 27.751 7.850 1.710 6354957
>> 27.782 4.000 0.995 16512989
>> 27.802 7.130 0.997 7904831
>> 27.802 6.054 0.993 14579524
>> 27.805 2.020 0.996 38727644
>> 27.813 2.226 0.995 34729768
>> 27.813 4.150 0.995 8158192
>> 27.826 3.550 2.088 16185877
>> 27.837 1.813 0.995 62333176
>> 27.842 2.520 0.994 37135732
>> 27.842 1.215 0.995 100296344
>> 27.845 8.540 0.994 9965757
>> 27.846 1.546 0.997 31002934
>> 27.850 0.294 0.995 71342800
>> 27.861 4.463 2.208 9342595
>> 27.861 4.370 0.994 9261024
>> 27.872 6.501 0.995 25350240
>> 27.873 3.550 2.209 31221546
>> 27.874 7.718 1.001 6722917
>> 27.878 4.464 2.086 11938198
>> 27.878 2.500 2.091 38447456
>> 27.878 2.502 2.214 28195052
>> 27.878 2.088 2.214 275200128
>> 27.878 2.210 2.090 244881344
>> 27.878 1.990 2.214 66014304
>> 27.878 1.994 2.090 358199904
>> 27.935 4.021 2.215 28881738
>> 27.943 4.027 2.094 24673924
>> 28.057 4.122 2.013 32551810
>> 28.072 2.456 2.017 29548752
>> 28.097 8.538 2.013 21392756
>> 28.097 8.538 2.107 27390538
>> 28.097 4.125 2.103 36786528
>> 28.097 2.457 2.105 46555032
>> 28.097 2.102 2.016 290046272
>> 28.097 2.010 2.103 468129408
>> 28.097 7.873 2.105 19651674
>> 28.097 7.870 2.012 7654736
>> 28.133 2.349 1.362 7317078
>> 28.138 7.110 2.078 10018760
>> 28.161 0.946 3.168 6373847
>> 28.165 -0.289 3.378 8801157
>> 28.172 2.383 2.079 75130688
>> 28.172 2.378 2.175 75611968
>> 28.179 7.837 2.166 37670684
>> 28.187 7.181 3.161 10298202
>> 28.190 3.806 2.167 27718594
>> 28.191 4.049 3.375 10001100
>> 28.200 7.837 2.078 31734392
>> 28.200 3.810 2.081 21258880
>> 28.200 2.076 2.177 323141984
>> 28.200 2.168 2.081 502899072
>> 28.205 3.381 3.165 67065268
>> 28.205 3.168 3.381 73533352
>> 28.208 8.414 3.373 15067370
>> 28.208 8.351 3.170 7628316
>> 28.208 8.341 3.374 7645984
>> 28.209 7.117 2.169 11674082
>> 28.214 4.048 3.166 14471102
>> 28.216 8.423 3.167 17037170
>> 28.224 1.073 1.716 13352056
>> 28.241 6.073 3.382 10503422
>> 28.244 1.074 1.364 17032050
>> 28.251 0.931 3.376 6152291
>> 28.253 7.169 3.382 5839400
>> 28.264 -0.283 3.172 6489636
>> 28.267 3.886 1.366 17250810
>> 28.283 3.882 1.718 15195676
>> 28.283 1.140 1.720 11209725
>> 28.291 1.721 1.367 30485708
>> 28.293 7.775 2.248 36438172
>> 28.293 2.243 2.278 722233088
>> 28.293 2.282 2.241 558969216
>> 28.293 4.002 2.276 30804940
>> 28.293 4.002 2.241 32916956
>> 28.293 7.776 2.283 34689936
>> 28.293 8.349 2.243 13846476
>> 28.293 8.349 2.283 12094347
>> 28.294 2.378 2.276 105975888
>> 28.294 2.378 2.241 98543912
>> 28.294 2.531 2.274 19873244
>> 28.294 2.527 2.239 16843542
>> 28.296 1.365 1.721 40825724
>> 28.425 6.641 1.722 9136089
>> 28.425 6.646 1.360 5064394
>> 28.460 4.226 1.733 11798780
>> 28.492 3.732 2.119 18697714
>> 28.500 2.348 1.932 25858834
>> 28.500 2.186 1.738 18644298
>> 28.500 2.181 1.935 32472380
>> 28.500 1.730 1.939 154530080
>> 28.500 1.932 1.733 137586864
>> 28.513 3.206 2.119 19153804
>> 28.513 1.919 2.117 190069184
>> 28.513 2.116 1.920 116117792
>> 28.513 3.206 1.923 18479976
>> 28.513 3.731 1.909 20774106
>> 28.527 3.731 1.932 33881932
>> 28.542 8.188 1.930 23315440
>> 28.542 7.662 1.932 4986554
>> 28.542 7.659 1.738 5433760
>> 28.543 0.923 1.669 13945816
>> 28.563 4.139 2.080 47361868
>> 28.573 7.311 1.666 10002993
>> 28.585 8.182 1.734 17260114
>> 28.588 3.251 1.949 31679510
>> 28.589 8.606 1.945 13522759
>> 28.597 3.893 2.086 26180172
>> 28.598 7.106 1.946 6706055
>> 28.602 3.233 1.669 25882470
>> 28.607 3.737 1.736 21994942
>> 28.611 2.345 1.734 18901476
>> 28.613 7.435 2.082 11363118
>> 28.624 1.944 1.669 109853352
>> 28.640 2.378 2.088 104037912
>> 28.640 2.461 2.086 55377216
>> 28.644 7.117 1.674 6758104
>> 28.660 9.231 2.079 36444784
>> 28.668 4.005 1.671 14708393
>> 28.700 9.098 2.086 23603964
>> 28.700 8.546 2.088 17104010
>> 28.706 2.961 1.650 20858360
>> 28.706 1.374 1.648 16780992
>> 28.706 1.439 1.646 39515700
>> 28.706 1.732 1.648 425065856
>> 28.706 1.829 1.652 33985100
>> 28.706 4.407 1.650 15951234
>> 28.837 4.171 1.927 24679626
>> 28.837 7.955 1.928 14349804
>> 28.837 2.129 1.930 137695312
>> 28.933 4.752 3.310 19072020
>> 28.933 3.203 3.304 614505792
>> 28.933 3.304 3.201 309285088
>> 28.933 4.751 3.200 22105646
>> 28.948 8.719 2.184 8918759
>> 28.958 7.872 2.178 18932496
>> 28.969 4.535 2.181 5965595
>> 28.970 3.950 2.177 10175374
>> 28.997 2.430 1.564 18377768
>> 28.997 2.379 1.564 15570135
>> 28.997 2.379 2.181 20498502
>> 29.002 9.578 2.174 11294739
>> 29.011 2.179 1.570 52517852
>> 29.027 3.754 1.755 21417582
>> 29.043 3.948 1.571 16261842
>> 29.057 7.872 1.570 8286608
>> 29.057 2.431 2.182 17366062
>> 29.057 1.573 2.184 52583040
>> 29.091 7.117 1.104 11350793
>> 29.101 7.112 1.756 32168918
>> 29.101 0.764 1.103 67633152
>> 29.105 0.768 1.756 52164040
>> 29.112 1.767 1.104 89975384
>> 29.121 1.103 1.757 101995600
>> 29.122 3.751 1.104 25833672
>> 29.157 4.013 1.711 11894437
>> 29.169 2.998 1.711 49788864
>> 29.169 4.272 1.714 11593980
>> 29.169 1.492 1.714 184645344
>> 29.169 1.571 1.714 118693744
>> 29.169 1.982 1.711 63488376
>> 29.169 1.903 1.714 63451964
>> 29.180 7.952 1.933 25416986
>> 29.180 0.933 1.935 43826408
>> 29.215 4.695 3.191 35913808
>> 29.323 0.971 1.935 59920208
>> 29.340 3.684 1.938 12545184
>> 29.340 3.683 1.141 16556230
>> 29.340 1.927 1.135 79158680
>> 29.340 1.139 1.936 89275136
>> 29.344 0.976 1.134 84857776
>> 29.400 4.727 3.219 19185332
>> 29.414 7.944 1.145 6098974
>> 29.618 9.142 3.696 10743599
>> 29.633 4.226 3.433 17900790
>> 29.656 4.225 3.699 9161054
>> 29.664 8.199 3.692 15868244
>> 29.664 3.431 3.693 66792548
>> 29.665 8.196 3.435 19046758
>> 29.675 3.691 3.435 68800880
>> 29.700 7.373 3.691 6947898
>> 29.710 7.372 3.435 10174411
>> 29.713 0.667 3.438 11481370
>> 29.745 -0.158 3.695 7002589
>> 29.747 1.440 2.573 14454360
>> 29.748 9.145 3.420 4408542
>> 29.779 1.452 1.885 12874246
>> 29.781 4.108 1.889 19773388
>> 29.783 2.556 1.888 96210112
>> 29.783 2.497 1.887 55116908
>> 29.783 2.502 2.572 52482104
>> 29.808 7.825 2.143 12588404
>> 29.810 0.843 2.575 8414357
>> 29.812 9.099 2.574 12715961
>> 29.815 0.644 1.889 9079749
>> 29.816 2.628 2.043 14208120
>> 29.816 7.904 2.571 16631611
>> 29.816 8.380 2.571 7708978
>> 29.816 7.903 1.889 9557970
>> 29.816 4.112 2.578 9585255
>> 29.816 1.884 2.571 70866464
>> 29.817 2.381 2.042 27178342
>> 29.826 1.633 2.581 8382734
>> 29.829 0.663 3.682 5542065
>> 29.838 0.859 1.889 14646522
>> 29.839 1.206 2.148 10581568
>> 29.855 0.644 2.572 6160368
>> 29.858 8.386 1.890 6416603
>> 29.864 0.757 2.142 23645228
>> 29.865 2.632 2.142 17250754
>> 29.865 2.374 2.146 22706746
>> 29.873 0.765 2.039 27353974
>> 29.882 8.343 2.140 17946188
>> 29.900 7.828 2.044 7278568
>> 29.900 8.345 2.040 8128740
>> 29.900 3.980 2.040 38630428
>> 29.900 3.976 2.142 36447564
>> 29.900 2.037 2.140 155921312
>> 29.900 2.137 2.037 136778144
>> 29.900 1.209 2.040 5769112
>> 30.102 4.011 1.949 30820738
>> 30.129 8.609 1.951 59272064
>> 30.132 0.970 1.949 23446382
>> 30.168 7.116 1.955 9561203
>> 30.168 3.809 1.952 22540164
>> 30.200 3.913 1.554 5677274
>> 30.200 0.892 1.556 18542890
>> 30.200 1.365 1.552 30079268
>> 30.219 2.779 1.553 18720362
>> 30.253 3.247 1.953 32781424
>> 30.432 3.219 2.298 7902888
>> 30.450 7.355 1.952 7510811
>> 30.471 3.998 1.363 9544671
>> 30.471 3.002 1.360 10259483
>> 30.471 2.932 1.360 10631794
>> 30.471 2.054 1.361 28716848
>> 30.471 3.999 2.120 5204766
>> 30.471 3.002 2.111 7655248
>> 30.471 2.925 2.114 6869122
>> 30.471 1.355 2.108 48553216
>> 30.471 1.009 2.114 6904414
>> 30.471 1.069 2.114 4090722
>> 30.491 7.794 2.306 7546746
>> 30.501 1.852 2.306 155351344
>> 30.502 4.179 2.306 35085216
>> 30.502 3.223 1.842 7774880
>> 30.502 4.178 1.842 12029747
>> 30.503 7.849 1.954 36187860
>> 30.503 7.958 1.953 13261270
>> 30.503 4.259 1.947 41468436
>> 30.503 3.260 1.951 32550344
>> 30.519 2.299 1.841 98194680
>> 30.520 7.789 1.851 12842311
>> 30.555 4.487 1.950 20388104
>> 30.557 4.316 1.873 30183122
>> 30.557 8.286 1.743 18015732
>> 30.557 8.286 1.870 22865414
>> 30.557 8.312 1.776 17211346
>> 30.557 8.326 1.868 14579763
>> 30.557 4.295 1.781 11507905
>> 30.557 4.339 1.748 14438333
>> 30.557 3.173 1.867 19089800
>> 30.557 3.173 1.749 12603336
>> 30.796 4.258 1.940 62465312
>> 30.827 1.544 0.797 6395180
>> 30.831 7.982 1.936 22158254
>> 30.836 0.802 1.296 67105476
>> 30.836 3.243 1.938 40670816
>> 30.840 1.303 0.797 49710748
>> 30.846 4.535 1.296 13559725
>> 30.851 4.539 0.796 17756006
>> 30.879 0.048 1.298 6278028
>> 30.881 1.556 1.295 12314498
>> 30.888 2.949 2.048 6600847
>> 30.888 1.360 2.043 8760201
>> 30.899 0.034 0.794 7906721
>> 30.938 8.499 2.049 7911756
>> 30.938 4.000 2.037 10090060
>> 30.967 6.908 1.935 38740088
>> 30.967 1.632 1.935 49658540
>> 31.370 4.003 2.025 18168932
>> 31.404 7.653 2.026 36967660
>> 31.412 0.972 2.026 96888128
>> 31.417 7.836 2.023 17108334
>> 31.435 3.101 2.028 13854385
>> 31.815 8.389 2.557 8629309
>> 31.815 4.499 2.553 13717505
>> 31.815 2.048 2.562 20606598
>> 31.815 1.969 2.562 26501734
>> 31.898 8.701 2.296 10828551
>> 31.915 3.760 2.291 17546856
>> 31.919 0.979 2.291 42421608
>> 31.931 0.837 2.290 39542560
>> 31.946 8.386 2.291 27698736
>> 31.984 3.491 2.301 7126076
>> 32.044 9.228 2.502 4391168
>> 32.064 4.347 2.291 39361736
>> 32.069 3.883 2.291 12045388
>> 32.100 4.335 1.993 14015954
>> 32.100 3.871 1.990 12552944
>> 32.100 3.919 1.990 12567681
>> 32.114 1.986 2.291 201258736
>> 32.125 3.545 1.999 8554808
>> 32.134 2.283 1.986 147367296
>> 32.171 7.429 1.990 13903404
>> 32.175 4.470 2.507 44854608
>> 32.175 2.087 2.508 36055568
>> 32.182 7.427 2.510 6705888
>> 32.201 1.992 2.508 181214912
>> 32.207 4.463 1.996 14533613
>> 32.212 8.776 2.505 11744395
>> 32.250 2.508 1.992 137777712
>> 32.257 8.775 1.990 8039203
>> 32.259 3.616 1.787 7046668
>> 32.278 8.476 1.784 7865006
>> 32.305 7.995 1.674 21047148
>> 32.325 3.156 1.673 12761307
>> 32.327 4.357 1.782 32674818
>> 32.327 1.671 1.781 296332768
>> 32.327 1.781 1.674 186377824
>> 32.332 4.354 1.673 23546998
>> 32.337 3.149 1.783 14940148
>> 32.345 8.472 1.676 7937822
>> 32.363 7.995 1.781 19459864
>> 32.384 3.604 1.671 6248610
>> 32.396 4.001 1.910 30218456
>> 32.396 1.452 1.911 29392916
>> 32.396 1.513 1.911 50330408
>> 32.404 8.779 1.908 33206614
>> 32.404 4.005 1.820 27421320
>> 32.404 8.781 1.824 27208654
>> 32.404 9.236 1.817 10369300
>> 32.404 1.912 1.817 304524832
>> 32.404 1.820 1.912 581182528
>> 32.423 4.260 1.901 20915558
>> 32.426 7.959 1.983 16586729
>> 32.457 7.961 1.904 23884346
>> 32.457 4.263 1.981 26915786
>> 32.457 1.903 1.983 630329472
>> 32.457 1.978 1.897 448743680
>> 32.457 7.851 1.984 7882702
>> 32.457 7.851 1.903 8319258
>> 32.500 1.492 1.987 21286720
>> 32.500 1.487 1.908 51637700
>> 32.500 1.572 1.986 24625724
>> 32.500 1.568 1.909 62357364
>> 32.540 0.927 1.812 10447921
>> 32.583 0.882 1.873 13112368
>> 32.650 3.505 1.864 11165192
>> 32.651 1.562 2.321 6866616
>> 32.654 1.347 1.590 18582686
>> 32.654 1.362 1.870 22735034
>> 32.670 1.577 1.862 106375312
>> 32.676 3.494 1.588 15663661
>> 32.676 1.871 1.588 67251616
>> 32.699 0.887 1.588 19437756
>> 32.700 8.706 1.858 22205956
>> 32.700 3.913 1.862 10722170
>> 32.743 2.317 2.012 41854324
>> 32.743 7.859 2.317 16195342
>> 32.743 4.234 2.321 6592598
>> 32.743 4.226 2.010 13696503
>> 32.743 7.853 2.018 8052368
>> 32.743 2.976 2.013 7163674
>> 32.743 2.967 2.322 11043258
>> 32.743 2.573 2.013 14231730
>> 32.743 2.577 2.324 10295787
>> 32.744 7.550 1.857 12286797
>> 32.770 1.056 2.321 7947460
>> 32.786 4.355 2.315 8659306
>> 32.840 2.012 2.322 49321204
>> 32.925 8.305 1.739 11336232
>> 33.029 8.334 1.823 12889508
>> 33.029 4.333 1.823 16114868
>> 33.029 4.333 1.740 11905218
>> 33.061 1.433 1.825 34572964
>> 33.070 1.428 1.739 37055860
>> 33.135 7.117 2.587 6827729
>> 33.157 4.231 2.992 11249091
>> 33.171 4.386 1.823 23747578
>> 33.171 1.371 1.830 18921004
>> 33.171 1.371 1.733 17786548
>> 33.173 7.842 2.589 6581704
>> 33.175 4.234 2.589 12967256
>> 33.182 8.021 1.733 17737266
>> 33.182 8.378 1.825 9857183
>> 33.182 4.390 1.738 13668265
>> 33.182 1.732 1.830 554855232
>> 33.182 1.829 1.733 573263360
>> 33.188 2.993 2.586 76743888
>> 33.188 2.021 2.994 15025637
>> 33.188 2.332 2.994 21755576
>> 33.188 2.337 2.591 27744088
>> 33.188 2.021 2.591 8086892
>> 33.188 7.860 2.997 18651402
>> 33.206 2.582 2.996 82495904
>> 33.209 8.031 1.826 12367806
>> 33.277 8.516 1.964 6227248
>> 33.342 4.499 2.049 22472750
>> 33.342 2.052 1.971 289926432
>> 33.342 1.969 2.052 581108160
>> 33.356 4.495 1.966 20565462
>> 33.364 3.805 2.384 32466906
>> 33.374 8.529 2.050 12159515
>> 33.378 8.390 1.966 22408584
>> 33.401 8.395 2.048 14505603
>> 33.401 2.558 2.056 4459142
>> 33.403 7.951 2.123 13221211
>> 33.418 7.784 2.385 53340128
>> 33.420 6.884 2.384 14765202
>> 33.422 2.549 1.977 9116953
>> 33.434 7.122 2.389 9181316
>> 33.434 2.172 2.385 153553632
>> 33.434 2.081 2.385 123047792
>> 33.472 7.489 2.131 9020143
>> 33.501 4.166 2.126 14304052
>> 33.521 1.932 2.127 175343568
>> 33.737 7.775 2.526 23938832
>> 33.737 7.776 2.392 30410988
>> 33.737 4.011 2.526 20063606
>> 33.737 4.007 2.394 32571548
>> 33.737 2.391 2.526 352661472
>> 33.737 2.527 2.396 300702656
>> 33.737 2.282 2.526 79003560
>> 33.737 2.238 2.526 80069984
>> 33.737 2.238 2.396 194302592
>> 33.737 2.286 2.396 287514592
>> 33.770 7.408 2.534 6313271
>> 33.969 8.348 2.381 10460404
>> 34.004 8.354 2.648 25967432
>> 34.004 7.229 2.644 9220737
>> 34.004 7.229 2.379 22294020
>> 34.004 6.563 2.381 9152296
>> 34.004 6.563 2.644 7590446
>> 34.004 4.002 2.646 20145268
>> 34.004 4.002 2.381 51159200
>> 34.004 2.378 2.648 165847936
>> 34.004 2.654 2.383 121036472
>> 34.004 0.934 2.385 7979728
>> 34.004 0.938 2.646 11206834
>> 34.009 2.137 2.648 27407724
>> 34.009 2.041 2.648 21902758
>> 34.009 2.041 2.388 36747684
>> 34.009 2.137 2.388 43203072
>> 34.052 8.541 2.468 14893449
>> 34.075 0.934 2.471 10424497
>> 34.081 7.532 2.470 8412556
>> 34.089 0.761 2.381 7740764
>> 34.120 4.121 2.470 30571658
>> 34.120 2.098 2.464 56171088
>> 34.120 2.010 2.464 54232684
>> 34.170 1.532 2.470 11582221
>> 34.600 2.181 2.346 175037104
>> 34.600 2.352 2.184 137571232
>> 34.642 1.932 2.187 32547886
>> 34.643 8.182 2.345 13980018
>> 34.655 7.112 2.352 6160054
>> 34.655 3.738 2.185 13635769
>> 34.664 3.735 2.346 9376908
>> 34.670 1.734 2.188 24514804
>> 34.693 1.933 2.351 25609558
>> 34.696 8.184 2.189 9152927
>> 34.698 1.733 2.348 24030208
>> 35.171 4.114 2.494 40271276
>> 35.185 0.885 2.494 12690168
>> 35.187 1.883 2.496 43525772
>> 35.200 1.638 2.491 11414580
>> 35.201 9.099 2.494 8219245
>> 35.202 6.993 2.492 10556679
>> 35.207 1.441 2.498 7561414
>> 35.208 7.654 2.494 30349786
>> 35.211 7.904 2.496 25398816
>> 35.211 2.566 2.497 153813888
>> 35.672 9.106 2.446 17616886
>> 35.700 3.919 2.447 7561874
>> 35.798 2.081 2.450 116177848
>> 35.800 2.383 2.451 1540220160
>> 35.800 2.461 2.383 643249856
>> 35.803 4.139 2.455 16434131
>> 35.821 4.127 2.378 13487610
>> 35.827 2.081 2.389 86443400
>> 35.870 9.217 2.457 8735639
>> 35.874 9.220 2.378 6754858
>> 36.302 2.191 2.382 19905242
>> 36.382 2.195 2.464 19684112
>> 36.446 7.868 2.380 13973376
>> 36.459 1.572 2.459 14836937
>> 36.459 2.383 2.462 211783328
>> 36.459 2.457 2.383 202585088
>> 36.462 3.952 2.382 18268386
>> 36.463 1.567 2.378 12171875
>> 36.471 7.872 2.459 12066653
>> 36.491 3.948 2.463 18937620
>> 37.106 4.502 2.681 13034498
>> 37.131 7.721 3.282 8463407
>> 37.141 2.680 3.279 130231552
>> 37.144 3.278 2.684 110853184
>> 37.148 4.504 3.281 26655502
>> 37.154 7.724 2.682 19238180
>> 37.158 7.042 3.283 16853212
>> 37.177 7.034 2.685 13453938
>> 37.501 4.903 2.890 40939120
>> 37.508 7.556 2.892 27705542
>> 37.513 6.897 2.894 13875869
>> 37.560 8.072 2.891 13204214
>> 37.610 1.255 -0.485 9628979
>> 37.624 1.258 0.398 14005231
>> 37.666 7.084 0.398 16155108
>> 37.668 0.395 0.395 95099416
>> 37.668 8.611 0.388 11705090
>> 37.677 3.646 -0.476 14138700
>> 37.678 3.114 0.395 10237445
>> 37.681 -0.484 0.395 56996916
>> 37.683 -0.283 -0.482 21270004
>> 37.684 3.647 0.385 10250494
>> 37.686 -0.479 -0.478 79390024
>> 37.690 0.402 -0.479 64886144
>> 37.694 7.102 -0.475 7987099
>> 37.701 -0.286 0.395 25537742
>> 37.773 4.553 2.937 19568126
>> 37.784 8.424 2.940 8922423
>> 37.784 8.756 2.936 21514852
>> 37.784 8.756 2.818 14377396
>> 37.784 7.605 2.822 14625871
>> 37.784 7.601 2.936 22403252
>> 37.784 6.843 2.932 10029542
>> 37.784 4.550 2.820 26413946
>> 37.784 2.820 2.936 211368176
>> 37.784 2.943 2.820 187085536
>> 37.797 6.841 2.817 9980923
>> 37.797 0.958 2.829 6215907
>> 37.805 4.111 2.940 16383790
>> 37.812 8.420 2.819 6646780
>> 37.821 4.114 2.819 10136377
>> 37.835 0.955 2.941 6115092
>> 38.225 2.213 3.210 13388097
>> 38.250 8.193 3.196 7084362
>> 38.254 3.757 1.741 12801862
>> 38.256 0.758 1.737 64523004
>> 38.259 1.194 1.736 30199644
>> 38.265 4.586 3.219 7319985
>> 38.268 7.114 3.072 20774728
>> 38.273 3.206 3.070 83229280
>> 38.277 4.061 1.736 9534599
>> 38.284 7.118 3.210 21358688
>> 38.291 7.104 1.737 43060188
>> 38.293 1.109 1.736 17909500
>> 38.293 4.578 3.071 11233609
>> 38.294 8.560 3.215 19408248
>> 38.295 8.558 3.075 18155332
>> 38.309 3.077 3.214 87143760
>> 38.310 8.186 3.072 15110568
>> 38.316 4.220 3.216 17491136
>> 38.330 4.222 3.070 9140145
>> 38.389 3.677 1.910 9020804
>> 38.389 1.139 1.909 9752196
>> 38.389 1.940 1.905 301890944
>> 38.389 0.938 1.912 59129944
>> 38.389 0.977 1.910 43873904
>> 38.433 4.553 1.913 14901540
>> 38.444 7.957 1.912 20961192
>> 38.461 7.267 1.912 17258716
>> 38.463 6.973 2.789 7517810
>> 38.506 7.959 2.789 8837015
>> 38.529 8.476 2.789 36505248
>> 38.529 7.810 2.790 19424494
>> 38.534 4.638 2.789 44109472
>> 38.679 4.171 1.865 18247042
>> 38.679 1.495 1.872 24370402
>> 38.687 1.200 1.872 20837362
>> 38.687 0.862 1.876 17058706
>> 38.702 8.100 1.863 16949748
>> 38.702 8.306 1.861 8349186
>> 38.774 0.928 1.875 59090304
>> 38.797 4.048 2.559 6314238
>> 38.800 8.755 2.563 11801689
>> 38.800 4.217 1.866 11251914
>> 38.800 8.227 1.872 8842406
>> 38.822 8.755 2.661 13719005
>> 38.832 4.401 2.563 30361968
>> 38.836 7.508 2.661 17648538
>> 38.837 4.399 2.662 38581804
>> 38.837 7.506 2.563 12873114
>> 38.842 4.043 2.657 7226814
>> 38.852 7.262 2.563 26160144
>> 38.852 6.941 2.659 7616509
>> 38.856 7.259 2.661 38432488
>> 38.860 0.934 2.557 6242667
>> 38.900 2.562 2.660 372478336
>> 38.900 2.663 2.564 268495264
>> 38.942 6.935 2.559 6660870
>> 39.149 4.591 2.729 9219462
>> 39.215 7.867 2.723 8676450
>> 39.217 8.206 2.800 7125072
>> 39.235 7.871 2.874 6755894
>> 39.247 8.196 2.929 11099273
>> 39.248 7.120 2.872 22488522
>> 39.248 4.591 2.873 18004148
>> 39.248 2.870 2.719 76706608
>> 39.248 2.717 2.873 120203536
>> 39.250 8.596 2.929 25997002
>> 39.256 3.757 2.930 13630627
>> 39.264 3.749 2.793 9699305
>> 39.266 7.118 2.720 16170191
>> 39.283 8.593 2.794 16207549
>> 39.300 4.582 2.927 19591132
>> 39.300 4.582 2.809 19398954
>> 39.300 2.801 2.934 155478848
>> 39.300 2.932 2.796 135242480
>> 39.352 7.471 3.218 24489636
>> 39.363 3.957 3.224 19878058
>> 39.363 4.206 3.223 4849884
>> 39.377 7.269 2.976 25918398
>> 39.377 4.678 2.973 18127254
>> 39.386 8.353 3.223 19178926
>> 39.386 8.044 2.976 22752202
>> 39.386 7.942 3.222 6420052
>> 39.386 7.919 3.241 7472722
>> 39.393 8.022 3.240 11226990
>> 39.399 2.973 3.240 163165424
>> 39.410 7.274 3.237 17513626
>> 39.412 4.683 3.237 21174296
>> 39.412 3.227 2.973 163061744
>> 40.500 7.796 2.805 38789712
>> 40.500 7.861 2.805 16877922
>> 40.500 7.796 2.710 27206574
>> 40.500 7.861 2.710 11018049
>> 40.500 2.713 2.800 418347200
>> 40.500 2.796 2.713 329025024
>> 40.531 4.491 2.803 32144946
>> 40.533 4.494 2.710 39398456
>> 41.040 4.689 2.844 32746156
>> 41.046 7.857 2.854 25391946
>> 41.046 8.158 2.856 4974172
>> 41.090 3.719 1.393 9952449
>> 41.094 1.679 1.396 18116892
>> 41.120 3.204 2.318 7962178
>> 41.127 4.002 1.398 18849452
>> 41.128 7.704 2.309 20691016
>> 41.130 4.363 1.398 22278170
>> 41.135 4.003 2.313 17969674
>> 41.135 2.307 1.397 81515856
>> 41.138 7.710 1.399 21795600
>> 41.139 1.399 2.313 86092648
>> 41.139 1.016 2.314 34748276
>> 41.140 3.718 2.311 22982472
>> 41.151 1.025 1.397 46590776
>> 41.160 4.361 2.314 14095180
>> 41.163 1.680 2.310 22924232
>> 41.172 4.166 2.835 7329400
>> 41.182 4.865 2.628 20534494
>> 41.183 8.372 2.820 24111448
>> 41.185 2.626 2.822 167953168
>> 41.205 8.374 2.624 18641750
>> 41.211 2.814 2.624 126082760
>> 41.318 4.842 2.815 15078395
>> 41.333 3.889 2.819 9267183
>> 41.482 3.957 1.720 27593716
>> 41.490 4.125 1.722 59292320
>> 41.512 0.930 1.721 72265856
>> 41.541 7.811 1.719 48838328
>> 41.544 1.356 2.795 15340103
>> 41.544 1.557 2.795 24761742
>> 41.544 1.868 2.795 7715560
>> 41.559 8.561 1.715 21861554
>> 41.591 0.888 2.796 18654338
>> 41.717 4.638 1.640 16686567
>> 41.724 8.532 1.331 9625702
>> 41.725 4.020 1.329 9940815
>> 41.728 1.638 1.331 122849552
>> 41.734 1.328 1.641 146501040
>> 41.740 0.936 1.333 61878940
>> 41.740 1.810 1.333 14871661
>> 41.745 4.636 1.332 25189804
>> 41.745 4.026 1.641 6493734
>> 41.745 1.807 1.643 57200544
>> 41.763 8.526 1.641 32827962
>> 41.770 3.546 1.330 13135514
>> 41.820 4.167 1.787 23028222
>> 41.838 0.932 1.644 135463680
>> 41.844 0.832 1.497 17961828
>> 41.853 7.840 1.785 28148708
>> 41.853 1.785 1.498 73388592
>> 41.855 4.174 1.503 13582360
>> 41.866 1.515 1.789 95404400
>> 41.867 7.839 1.504 11655556
>> 41.867 0.833 1.787 28309838
>> 41.875 0.479 1.499 12135556
>> 41.921 0.475 1.779 10175603
>> 41.936 4.157 1.649 55220084
>> 41.952 8.012 1.649 56759104
>> 41.952 7.899 1.649 28308882
>> 42.158 1.821 2.025 21505384
>> 42.200 8.543 2.523 9673714
>> 42.210 1.824 2.521 17054656
>> 42.218 9.145 2.031 16103693
>> 42.223 9.148 2.523 17340682
>> 42.226 2.519 2.031 62147980
>> 42.226 0.988 2.522 22506732
>> 42.227 1.218 2.526 10498592
>> 42.232 2.024 2.522 60496612
>> 42.233 0.986 2.034 22481304
>> 42.239 0.667 1.759 10674686
>> 42.242 1.223 2.035 13159891
>> 42.245 4.132 2.524 9969881
>> 42.245 8.559 0.929 8168726
>> 42.251 4.141 2.032 9549555
>> 42.251 3.994 0.928 18131400
>> 42.255 4.034 2.526 11495711
>> 42.257 -0.160 0.926 23013578
>> 42.260 3.992 1.762 12587286
>> 42.263 1.761 0.929 71037648
>> 42.265 0.930 1.763 90385592
>> 42.271 0.431 0.927 11574088
>> 42.274 -0.161 1.767 25538910
>> 42.274 1.454 1.763 23230622
>> 42.274 8.555 1.758 11028602
>> 42.274 8.468 1.756 12137321
>> 42.274 0.830 1.764 27699508
>> 42.274 0.978 1.762 52359688
>> 42.280 0.667 0.929 21351522
>> 42.289 1.454 0.929 13483980
>> 42.297 0.428 1.759 8141031
>> 42.300 1.706 3.012 25965952
>> 42.300 1.575 3.014 11954767
>> 42.300 1.487 3.014 19940970
>> 42.300 1.374 2.974 11050447
>> 42.300 1.430 2.974 11352706
>> 42.300 1.654 2.970 17994008
>> 42.345 3.489 1.763 10380513
>> 43.008 7.124 2.915 20349554
>> 43.033 1.343 2.915 21142586
>> 43.034 7.125 2.995 21440124
>> 43.038 4.348 3.163 15865014
>> 43.038 1.632 3.160 64450048
>> 43.038 1.531 3.160 39116600
>> 43.038 1.676 3.158 44749528
>> 43.038 1.785 3.156 23657636
>> 43.063 1.344 2.993 23829166
>> 43.063 2.042 2.995 18612530
>> 43.063 2.035 2.926 11302345
>> 43.068 2.073 2.920 17755612
>> 43.069 2.094 2.995 20901330
>> 43.358 4.260 3.262 18104628
>> 43.367 4.490 3.268 14392095
>> 43.384 7.127 2.343 6806040
>> 43.393 2.497 2.336 42252832
>> 43.400 4.267 3.200 9256385
>> 43.400 1.929 3.257 109951584
>> 43.400 1.934 3.204 44240356
>> 43.400 1.803 3.204 24866852
>> 43.400 1.798 3.257 98738712
>> 43.400 1.632 3.204 51228828
>> 43.400 0.936 3.204 13006067
>> 43.400 1.610 3.166 33566672
>> 43.401 1.360 2.334 7051668
>> 43.410 1.743 2.513 8055342
>> 43.411 1.727 2.339 8674687
>> 43.415 2.341 2.508 47761284
>> 43.437 7.531 2.506 8179152
>> 43.439 7.531 2.334 13862276
>> 43.459 4.216 2.506 6751743
>> 43.468 1.370 2.518 7399223
>> 43.477 0.466 2.350 7198940
>> 43.489 4.033 3.206 7851000
>> 43.489 1.674 3.226 31190844
>> 43.489 7.309 3.233 10337775
>> 43.545 1.131 2.504 7244299
>> 43.758 0.293 1.548 7618268
>> 43.776 1.550 1.714 208502448
>> 43.779 3.616 1.716 11680101
>> 43.783 1.713 1.545 123467904
>> 43.786 0.915 1.545 56728988
>> 43.791 0.926 1.715 47541972
>> 43.796 0.296 1.713 10640094
>> 43.801 3.616 1.545 7856672
>> 43.801 7.713 1.717 13742850
>> 43.808 4.626 1.714 21412490
>> 43.813 8.470 1.542 10702637
>> 43.816 4.630 1.545 26526568
>> 43.834 8.477 1.714 22711200
>> 43.834 0.992 1.715 25638104
>> 43.834 0.995 1.545 22028548
>> 43.843 7.705 1.546 7560526
>> 44.492 4.019 1.627 6201021
>> 44.505 9.098 1.435 14359056
>> 44.505 2.573 1.612 6466518
>> 44.513 4.752 1.435 18510790
>> 44.516 7.657 1.619 14521225
>> 44.517 1.445 1.618 68006472
>> 44.522 7.668 1.446 6531040
>> 44.527 0.836 1.618 31595566
>> 44.527 0.642 1.436 23594586
>> 44.528 1.893 1.437 10242111
>> 44.528 0.844 1.434 34714080
>> 44.531 1.599 1.436 69640120
>> 44.533 2.563 1.436 15892901
>> 44.548 0.645 1.618 28136910
>> 44.635 4.742 1.612 12958246
>> 45.123 8.061 3.943 29267716
>> 45.123 8.415 3.943 41107616
>> 45.123 8.490 3.942 12281042
>> 45.600 8.157 4.000 48406360
>> 45.600 8.021 4.002 19308934
>> 49.820 8.469 3.222 6424534
>> 49.912 7.725 3.718 22911584
>> 49.912 7.799 3.719 12920893
>> 49.921 2.115 3.209 29712008
>> 49.924 1.026 3.719 8460720
>> 49.928 2.306 3.722 41618960
>> 49.932 2.114 3.720 27178860
>> 49.937 1.403 3.204 6006574
>> 49.940 3.208 3.720 145303120
>> 49.942 3.718 3.209 139772624
>> 49.942 2.306 3.210 25369412
>> 49.946 7.729 3.209 22796876
>> 49.946 7.802 3.209 15647224
>> 49.950 1.399 3.725 14271620
>> 49.956 4.362 3.212 6215912
>> 49.962 4.353 3.728 8104590
>> 49.998 0.049 3.384 11006372
>> 50.000 1.849 3.210 16079554
>> 50.000 1.849 3.722 12002204
>> 50.000 1.923 3.724 33187616
>> 50.000 1.936 3.210 24511510
>> 50.008 4.597 3.381 34793800
>> 50.019 0.916 3.383 15317581
>> 50.039 2.456 3.382 67157320
>> 50.040 3.378 2.459 68035088
>> 50.044 0.048 2.463 16456775
>> 50.046 4.591 2.459 23121436
>> 50.056 0.920 2.466 11382881
>> 50.724 1.335 4.025 14084242
>> 50.733 2.075 3.553 25163136
>> 50.737 2.200 4.024 29866390
>> 50.739 1.331 3.547 20997440
>> 50.739 3.550 4.025 209683984
>> 50.745 4.023 3.550 201103152
>> 50.753 2.202 3.549 33617868
>> 50.753 1.631 3.550 7629971
>> 50.756 4.638 3.550 57282596
>> 50.764 2.076 4.023 33482526
>> 50.765 4.637 4.025 99517176
>> 50.765 0.909 3.551 20473240
>> 50.788 0.914 4.026 19570750
>> 50.803 2.491 4.027 6627514
>> 50.807 2.001 3.868 55725176
>> 50.809 4.864 3.869 74015912
>> 50.809 2.280 3.916 8388066
>> 50.809 2.813 3.872 6609826
>> 50.809 2.817 3.912 4916764
>> 50.818 4.864 3.907 69393256
>> 50.825 2.004 3.911 52926068
>> 50.848 1.636 4.026 7148247
>> 50.848 2.288 3.874 6620230
>> 50.850 3.867 3.910 969017856
>> 50.850 8.473 3.861 10833258
>> 51.575 2.623 4.869 15696604
>> 51.575 2.809 4.866 7042673
>> 51.575 8.382 4.864 8074739
>> 51.575 3.870 4.868 43541676
>> 51.575 3.918 4.866 29016794
>> 52.277 1.382 4.309 30934174
>> 52.283 8.305 4.309 47082192
>> 52.308 8.066 4.309 13478948
>> 52.818 2.062 4.643 10178123
>> 52.911 4.504 4.510 309209728
>> 52.926 1.301 4.510 53540332
>> 52.938 7.871 4.507 21466970
>> 52.953 8.528 4.642 16087161
>> 52.960 0.920 4.641 53199284
>> 52.968 3.553 4.640 35976736
>> 52.976 4.024 4.640 66974476
>> 52.982 1.817 4.641 14217617
>> 53.002 1.341 4.641 26903598
>> 53.010 1.636 4.640 18621098
>> 53.101 8.906 4.506 12529420
>> 53.531 8.075 4.907 12969295
>> 53.538 2.896 4.905 47431308
>> 53.584 7.113 4.904 7314146
>> 53.600 1.314 4.906 9004401
>> 53.600 8.918 4.908 46439440
>> 53.792 7.939 4.643 16613190
>> 53.792 2.790 4.643 44592668
>> 53.839 8.473 4.645 17197466
>> 54.375 8.162 4.692 12809146
>> 54.424 7.869 4.693 11163804
>> 54.436 2.848 4.692 30560274
>> 54.778 6.638 4.378 9694999
>> 54.849 3.020 4.380 23847252
>> 54.900 1.662 4.380 13548922
>> 54.907 7.983 3.610 13266600
>> 54.909 7.658 4.386 11515745
>> 54.926 1.688 3.611 25728562
>> 54.926 1.780 3.612 13542709
>> 54.939 0.296 3.613 83389464
>> 54.954 1.557 3.613 33625732
>> 54.954 8.478 3.612 33286036
>> 54.967 8.757 3.616 22638840
>> 54.970 0.928 3.612 18501546
>> 54.986 6.923 3.618 6948491
>> 55.188 1.273 4.015 21201044
>> 55.189 1.506 4.016 100591224
>> 55.189 3.870 4.019 13669843
>> 55.189 4.009 4.017 581775104
>> 55.200 7.556 4.014 22635208
>> 55.204 7.773 4.018 17348470
>> 55.252 7.128 4.608 17618824
>> 55.264 3.372 4.601 35622444
>> 55.275 2.472 4.603 19423220
>> 55.300 8.387 4.499 17188482
>> 55.300 2.556 4.499 16331032
>> 55.300 2.048 4.499 38978384
>> 55.300 1.973 4.501 28634102
>> 55.303 2.883 4.606 14251822
>> 55.342 8.016 4.404 17004778
>> 55.349 7.869 4.608 11675436
>> 55.350 8.377 4.403 48287324
>> 55.350 1.816 4.401 33755336
>> 55.350 1.729 4.402 20572734
>> 55.350 1.440 4.401 7632848
>> 55.368 8.527 4.497 135147200
>> 55.371 1.381 4.401 12874031
>> 55.402 2.719 4.601 11771706
>> 55.500 3.186 4.690 31279772
>> 55.500 8.714 4.685 7113470
>> 55.874 1.122 4.568 8662060
>> 55.879 8.741 4.560 15607846
>> 55.900 2.820 4.564 28194318
>> 55.900 2.939 4.562 18930508
>> 55.909 0.974 4.559 31791232
>> 55.937 1.919 4.558 31145196
>> 55.985 1.713 4.632 17836966
>> 55.985 2.800 4.625 8013570
>> 55.999 7.954 4.559 8908923
>> 56.034 0.907 4.631 57770684
>> 56.047 1.548 4.629 39787636
>> 56.053 8.471 4.631 13596543
>> 56.076 1.924 4.399 23362858
>> 56.083 7.257 4.402 20979194
>> 56.099 6.920 4.400 9138497
>> 56.100 2.658 4.400 40111476
>> 56.100 2.562 4.400 39527524
>> 56.100 1.874 4.340 41370196
>> 56.100 1.741 4.340 35862136
>> 56.100 1.622 4.339 18574040
>> 56.100 8.290 4.345 77062584
>> 56.101 0.935 4.403 11168634
>> 56.112 7.715 4.628 6098596
>> 56.200 8.312 4.340 63830076
>> 56.200 8.221 4.340 35671780
>> 56.200 1.822 4.327 40992532
>> 56.200 1.757 4.326 39097276
>> 56.200 1.398 4.327 15846379
>> 56.200 1.460 4.328 12962226
>> 56.241 0.476 4.167 54366032
>> 56.256 1.515 4.165 29932704
>> 56.256 7.842 4.160 27055140
>> 56.256 1.793 4.164 18554144
>> 56.256 1.594 4.166 18712864
>> 56.266 2.847 4.166 10021630
>> 56.337 0.833 4.164 8238872
>> 56.400 7.951 4.165 26680576
>> 56.400 8.043 4.163 21080938
>> 56.400 1.932 4.169 53720936
>> 56.400 2.129 4.167 17395980
>> 56.500 8.411 4.298 34093228
>> 56.500 8.311 4.299 31363578
>> 56.500 1.860 4.300 35394480
>> 56.500 1.762 4.299 32905454
>> 56.500 1.624 4.299 17907312
>> 56.848 7.820 4.489 31166690
>> 56.868 3.441 4.307 48970480
>> 56.870 3.608 4.307 32308944
>> 56.878 7.717 4.307 100426688
>> 56.878 7.662 4.306 36204212
>> 56.900 2.709 4.494 45259316
>> 56.900 2.801 4.494 27935084
>> 56.900 1.954 4.490 32230752
>> 56.935 3.263 4.500 13848899
>> 57.000 9.580 4.527 7101244
>> 57.000 9.111 4.530 63374164
>> 57.000 4.134 4.530 37661864
>> 57.200 4.453 4.543 165487952
>> 57.200 4.051 4.545 44739860
>> 57.200 9.028 4.549 66474636
>> 57.200 9.103 4.549 47580372
>> 57.256 2.801 4.578 29912330
>> 57.256 2.928 4.578 19568030
>> 57.261 8.584 4.578 28405318
>> 57.264 3.083 4.581 16570601
>> 57.264 3.208 4.583 12445548
>> 57.281 8.202 4.582 9489641
>> 57.366 1.503 4.263 19555142
>> 57.440 7.954 4.260 25045932
>> 57.440 7.857 4.261 21448564
>> 57.500 1.980 4.260 56909232
>> 57.500 1.903 4.261 59627804
>> 57.522 3.164 4.357 17120408
>> 57.541 7.996 4.357 27966814
>> 57.542 8.472 4.359 10062092
>> 57.556 1.565 4.357 31180892
>> 57.557 1.770 4.356 53418564
>> 57.566 1.672 4.357 58200748
>> 57.728 -0.150 3.995 10058347
>> 57.738 1.464 3.995 20484092
>> 57.743 1.756 3.994 16812514
>> 57.743 0.672 3.994 73697168
>> 57.747 0.930 3.995 33177136
>> 57.747 2.138 3.993 22340486
>> 57.747 2.040 3.995 14874180
>> 57.763 1.207 3.997 7086565
>> 57.779 2.988 4.679 18544722
>> 57.804 8.562 3.995 14951001
>> 57.804 8.477 3.995 10634070
>> 57.825 3.228 4.683 19844674
>> 57.863 1.245 3.642 22523232
>> 57.870 7.270 4.677 13733247
>> 57.870 7.923 4.677 20814516
>> 57.870 8.054 4.677 7739694
>> 57.870 -0.487 3.642 27079106
>> 57.870 3.441 3.641 8819259
>> 57.870 3.691 3.637 204433952
>> 57.871 0.425 3.641 94346584
>> 57.874 0.704 3.643 16291276
>> 57.880 8.199 3.645 9095716
>> 57.881 7.085 3.642 19844984
>> 57.885 -0.286 3.640 12673558
>> 57.895 8.605 3.641 7843678
>> 57.982 2.350 3.732 11417683
>> 57.982 3.248 4.265 11742579
>> 57.986 6.904 4.270 27158006
>> 57.989 7.785 4.127 31872564
>> 58.003 1.934 4.267 112147904
>> 58.004 3.703 4.277 8092915
>> 58.005 2.289 4.129 30554838
>> 58.005 2.243 4.129 35503480
>> 58.007 1.713 4.131 78772152
>> 58.007 1.610 4.128 25061036
>> 58.015 8.189 3.731 22564468
>> 58.017 1.926 3.734 29596162
>> 58.017 1.734 3.732 31153876
>> 58.018 1.647 4.269 27780912
>> 58.025 7.814 3.988 8430930
>> 58.045 2.181 3.734 13399067
>> 58.048 1.794 4.266 36331104
>> 58.066 3.871 4.499 29267638
>> 58.075 8.060 4.499 28262962
>> 58.075 8.297 4.499 12775126
>> 58.134 7.845 4.258 27548370
>> 58.199 0.940 4.144 68308752
>> 58.200 7.965 4.258 35932452
>> 58.258 8.744 4.432 17172756
>> 58.258 8.507 4.431 4126118
>> 58.295 3.849 4.435 105423808
>> 58.331 3.169 4.155 24665026
>> 58.331 3.084 4.156 17011270
>> 58.331 1.573 4.156 45497048
>> 58.336 2.051 3.989 50876040
>> 58.336 2.141 3.989 30383526
>> 58.348 2.643 3.988 20712884
>> 58.353 8.294 4.438 68867080
>> 58.362 8.018 4.155 23400226
>> 58.362 1.651 4.157 83021944
>> 58.378 8.346 3.982 18363948
>> 58.415 2.379 3.989 50189704
>> 58.482 7.841 4.377 11864213
>> 58.492 7.708 4.376 17574654
>> 58.504 2.014 4.377 8702891
>> 58.510 1.400 4.375 26461892
>> 58.513 1.671 4.374 13780961
>> 58.539 1.059 4.377 50569372
>> 58.556 2.317 4.375 32330112
>> 58.594 7.723 4.502 11245608
>> 58.595 3.279 4.503 39097084
>> 58.598 2.673 4.502 18246652
>> 58.628 7.032 4.499 23518298
>> 58.749 0.504 4.516 6317990
>> 58.863 3.222 3.812 7508110
>> 58.869 7.774 4.011 38852984
>> 58.892 1.065 3.882 42188932
>> 58.900 8.349 4.010 9208165
>> 58.900 2.243 4.016 76138032
>> 58.900 2.282 4.016 58517612
>> 58.900 2.378 4.012 32002022
>> 58.901 1.717 3.885 32108220
>> 58.901 1.140 3.881 22515526
>> 58.904 7.700 3.881 6318560
>> 58.907 1.342 3.883 47852424
>> 58.910 1.721 3.951 39428424
>> 58.915 0.983 3.815 10952922
>> 58.925 7.807 3.955 22291802
>> 58.925 7.872 3.955 19949954
>> 58.926 2.437 3.953 35377736
>> 58.926 2.181 3.947 15320625
>> 58.929 7.110 3.812 9745796
>> 58.932 6.653 3.886 18688114
>> 58.935 1.958 3.813 47357096
>> 58.940 2.383 3.814 30945872
>> 58.945 1.575 3.954 30432690
>> 58.955 7.831 3.814 39428040
>> 58.955 2.168 3.815 51534508
>> 58.955 2.085 3.817 43598148
>> 58.957 0.934 3.950 13669903
>> 58.976 8.612 3.813 12580100
>> 58.996 2.994 4.231 18468366
>> 59.000 7.434 4.139 11018793
>> 59.021 9.220 4.145 25787564
>> 59.024 2.578 4.234 28101102
>> 59.034 2.325 4.229 18193708
>> 59.061 2.012 4.228 37248164
>> 59.061 1.902 4.228 12977104
>> 59.061 1.976 4.228 26889860
>> 59.065 7.862 4.233 26725530
>> 59.078 2.067 4.137 148402304
>> 59.134 7.631 4.122 13364595
>> 59.145 1.506 4.124 45296904
>> 59.145 2.459 4.125 65565340
>> 59.157 8.745 4.114 10546173
>> 59.165 1.225 4.143 48127152
>> 59.165 0.990 4.144 11459266
>> 59.165 1.822 4.140 26855410
>> 59.165 2.028 4.140 91296688
>> 59.165 2.518 4.140 60744452
>> 59.165 9.151 4.140 15877152
>> 59.165 8.547 4.140 24967602
>> 59.175 8.541 4.126 24967602
>> 59.175 7.872 4.126 23677112
>> 59.215 2.940 4.111 23886096
>> 59.215 2.820 4.112 8309012
>> 59.220 1.883 4.116 41436500
>> 59.220 8.384 4.110 8664048
>> 59.220 7.912 4.110 21850714
>> 59.220 2.501 4.117 101038488
>> 59.220 2.566 4.117 30794878
>> 59.344 8.781 4.009 34193372
>> 59.367 1.993 4.007 35790460
>> 59.371 1.905 4.009 46734712
>> 59.371 1.822 4.008 43306484
>> 59.371 1.455 4.008 17770932
>> 59.371 4.473 4.013 5478330
>> 59.378 1.509 4.008 20689984
>> 59.380 9.234 4.009 17627632
>> 59.392 0.956 4.008 24329716
>> 60.035 8.711 3.917 6691616
>> 60.197 9.108 3.910 14491439
>> 60.202 2.445 3.906 13650016
>> 60.204 2.086 3.908 41086252
>> 60.208 1.857 3.909 12192940
>> 60.208 1.561 3.911 20351538
>> 60.213 2.779 3.907 8134867
>> 60.348 7.704 3.999 9479676
>> 60.385 2.301 4.005 28391094
>> 60.390 1.385 4.005 43101648
>> 60.390 1.718 4.008 14125802
>> 60.408 0.997 4.007 41949888
>> 60.454 3.206 4.012 6341599
>> 60.456 1.677 4.009 24985334
>> 60.469 8.599 4.013 27852680
>> 60.487 9.148 4.010 9143959
>> 60.488 7.110 4.014 10053940
>> 60.500 8.501 4.008 13241625
>> 60.500 2.035 4.003 46981580
>> 60.501 1.959 4.011 67811896
>> 60.503 2.517 4.011 22405286
>> 60.517 6.506 4.012 39060060
>> 60.653 -0.171 3.488 17997484
>> 60.666 1.351 3.489 12987051
>> 60.667 1.790 3.488 15810308
>> 60.667 0.889 3.485 30030982
>> 60.667 0.939 3.487 29037240
>> 60.681 1.584 3.489 26604884
>> 60.696 8.709 3.490 14473927
>> 60.696 1.874 3.487 14165438
>> 60.724 8.535 3.488 6695679
>> 61.018 1.880 4.214 12261511
>> 61.018 1.211 4.217 4572853
>> 61.045 0.909 4.214 11667573
>> 61.049 8.313 4.214 32393594
>> 61.049 8.218 4.214 9643315
>> 61.319 7.786 4.015 12294545
>> 61.338 7.660 4.019 10979722
>> 61.374 0.833 4.017 32967204
>> 61.376 8.472 4.023 15204613
>> 61.380 4.474 4.015 22885442
>> 61.391 1.600 4.015 6871041
>> 61.400 3.880 4.017 46432104
>> 61.400 4.032 4.017 351119264
>> 61.457 0.903 4.151 31497780
>> 61.460 8.098 4.147 17824188
>> 61.468 1.497 4.144 7157732
>> 61.469 1.193 4.151 13012760
>> 61.471 1.863 4.151 23081212
>> 61.479 8.315 4.150 51135096
>> 61.854 0.797 4.537 35283224
>> 61.889 2.443 4.533 7006932
>> 61.890 2.168 4.526 7245750
>> 61.891 1.300 4.538 23921928
>> 61.897 9.583 4.540 39465884
>> 61.914 6.464 4.537 13997006
>> 61.973 4.186 4.327 62601412
>> 62.030 1.192 4.327 26524734
>> 62.058 8.097 4.327 47370524
>> 62.073 7.920 4.331 12089609
>> 62.284 1.740 4.062 9814050
>> 62.286 0.771 4.046 24111994
>> 62.289 7.443 4.075 10154705
>> 62.343 3.762 4.073 42327564
>> 62.343 1.201 4.070 37916096
>> 62.355 1.198 4.040 55744924
>> 62.355 7.724 4.039 9751101
>> 62.368 7.824 4.040 18689394
>> 62.383 1.210 3.770 7074234
>> 62.400 7.652 3.953 12617808
>> 62.400 4.083 3.955 46732488
>> 62.430 7.434 3.953 10121749
>> 62.430 4.080 3.769 42503392
>> 62.430 3.951 3.769 62177184
>> 62.430 3.769 3.953 56196836
>> 62.430 7.649 3.764 5509246
>> 62.430 0.649 3.958 5921214
>> 62.442 0.647 3.765 12263943
>> 62.460 8.556 4.236 12495796
>> 62.474 1.725 4.237 21670610
>> 62.510 3.215 4.237 21050342
>> 62.517 7.120 4.236 18034002
>> 62.525 3.070 4.241 14029533
>> 62.529 2.509 4.239 8357828
>> 62.566 1.358 4.237 8112918
>> 62.904 0.833 4.011 14598039
>> 62.917 8.642 4.013 11319716
>> 62.927 7.781 3.885 12960231
>> 62.930 0.835 3.880 19251094
>> 62.933 1.274 4.014 12477351
>> 62.939 7.775 4.010 21093822
>> 62.947 8.474 3.882 25101056
>> 62.959 1.272 3.884 18028122
>> 62.998 8.471 4.014 31026756
>> 63.000 3.880 4.013 133552712
>> 63.000 4.011 3.879 192411392
>> 63.069 4.017 4.470 13869275
>> 63.088 3.383 4.053 18520388
>> 63.096 1.989 4.471 26155578
>> 63.096 3.161 4.053 29032892
>> 63.100 8.422 4.049 24503818
>> 63.110 2.503 4.471 50936108
>> 63.118 7.181 4.056 12280508
>> 63.122 8.778 4.471 84675448
>> 63.135 2.649 4.049 8730686
>> 63.135 2.564 4.051 8755746
>> 63.246 1.730 4.230 11167161
>> 63.257 3.699 4.233 17662960
>> 63.295 3.433 4.232 26346724
>> 63.318 8.192 4.230 21766324
>> 63.364 7.368 4.227 7696606
>> 63.376 1.926 4.232 13108758
>> 63.734 8.306 3.855 42078588
>> 63.817 4.446 3.855 93154592
>> 63.841 0.839 4.347 11409390
>> 63.846 2.287 4.345 53079460
>> 63.849 1.993 4.346 29126684
>> 63.870 8.476 4.345 23317928
>> 63.899 8.499 3.846 8082757
>> 63.997 8.345 3.959 14417798
>> 64.000 8.315 3.853 19659382
>> 64.000 4.493 3.855 54917472
>> 64.033 7.471 3.957 18468818
>> 64.037 3.219 3.957 28489930
>> 64.038 6.069 3.955 23823800
>> 64.040 0.296 3.955 44765848
>> 64.057 8.762 3.957 9809024
>> 64.166 0.974 3.960 6373128
>> 64.254 7.458 4.221 6810912
>> 64.266 8.344 4.221 6946145
>> 64.287 8.709 4.219 18386556
>> 64.300 3.182 4.219 28776560
>> 64.300 3.081 4.219 25105144
>> 64.300 3.225 4.220 20294994
>> 64.325 0.970 4.215 6546152
>> 64.836 1.102 3.755 39306840
>> 64.843 1.744 3.755 49181740
>> 64.848 0.754 3.755 61017760
>> 64.864 7.110 3.756 30590684
>> 64.866 8.594 3.748 7019948
>> 64.897 2.933 3.757 18609806
>> 64.933 8.019 4.443 12850921
>> 64.970 4.037 4.449 139962096
>> 64.970 9.090 4.446 20769574
>> 64.970 9.024 4.449 30311484
>> 64.970 9.033 4.039 20006898
>> 64.979 4.449 4.040 133710136
>> 64.983 9.086 4.041 24761378
>> 64.983 4.538 4.039 46609860
>> 64.983 4.540 4.448 64759476
>> 65.080 2.804 3.758 10460596
>> 65.297 8.547 4.129 7040822
>> 65.334 9.097 4.487 27334176
>> 65.349 4.125 4.484 109830056
>> 65.359 4.493 4.129 137363120
>> 65.359 9.111 4.132 12282248
>> 65.359 9.580 4.486 6240956
>> 65.372 8.557 4.487 6643870
>> 65.375 9.580 4.132 12423125
>> 65.391 4.540 4.128 73932096
>> 65.391 4.531 4.491 92740560
>> 65.788 7.133 3.679 8294268
>> 65.813 7.956 3.682 17309416
>> 65.823 1.921 3.680 45138664
>> 65.823 0.941 3.680 61667996
>> 65.823 2.040 3.678 8887713
>> 65.841 1.129 3.680 34072400
>> 65.880 8.474 3.673 6238748
>> 65.971 1.251 3.113 9243080
>> 66.001 2.022 3.112 21807324
>> 66.015 7.835 3.108 8475188
>> 66.022 0.965 3.114 87235120
>> 66.032 8.619 3.111 6096166
>> 66.034 -0.283 3.116 30630882
>> 66.035 0.393 3.110 22533280
>> 66.035 -0.482 3.112 5566809
>> 66.038 7.089 3.109 14336487
>> 66.060 7.649 3.114 25579134
>> 66.923 1.273 3.754 23058994
>> 66.931 9.027 3.754 14771533
>> 66.937 7.821 4.175 11409886
>> 66.943 8.390 3.754 9064621
>> 66.952 2.288 3.756 25669488
>> 66.964 0.834 3.753 13339664
>> 66.974 1.923 4.179 20661374
>> 66.977 0.842 4.178 15963854
>> 66.981 2.299 4.180 41740508
>> 66.981 1.792 4.183 21239696
>> 66.985 1.835 4.180 27947090
>> 67.024 3.732 4.185 8444095
>> 67.044 2.110 4.180 12087369
>> 67.379 -0.285 3.489 11984885
>> 67.476 0.976 3.491 46361268
>> 67.479 3.172 3.494 7164714
>> 67.482 2.286 3.489 14077753
>> 67.489 0.429 3.497 8302863
>> 67.490 0.834 3.490 53312856
>> 67.504 8.385 3.491 25279170
>> 67.564 0.629 3.496 5945570
>> 67.793 9.019 4.148 12118566
>> 67.828 8.015 4.145 12913185
>> 67.828 3.749 4.153 8869254
>> 67.832 1.566 4.148 8892404
>> 67.850 1.271 4.147 47210964
>> 69.724 8.089 4.195 10645242
>> 69.797 4.349 4.198 44317224
>> 69.798 7.922 4.194 14083805
>> 69.800 1.192 4.197 45758204
>> 71.108 0.841 4.035 7565021
>> 71.149 1.203 4.039 40372056
>> 71.175 1.537 4.036 24227546
>> 71.176 3.775 4.035 13086051
>> 71.183 4.475 4.038 7465212
>> 71.207 0.641 4.034 18272692
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_source_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 C 13 Caliph 1 14108.625 . . 17971 2
>> 2 H 1 H 2 10201.248 . . 17971 2
>> 3 H 1 HC 1 15243.902 . . 17971 2
>>
>> stop_
>>
>>save_
>>
;
save_
save_Cnoesy_arom.list
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '2D 1H-13C HSQC-aromatic'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C Carom
2 H H
3 H HC
stop_
_Sample_label $NC_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_Cnoesy_arom.list
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode Cnoesy_arom.list
>> _Spectral_peak_list.Entry_ID 17971
>> _Spectral_peak_list.ID 3
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $NC_sample
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Experiment_ID 3
>> _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC-aromatic'
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>> 113.546 10.023 6.870 6717298
>> 113.556 4.533 6.869 6958054
>> 113.566 6.464 6.863 12479988
>> 113.909 1.950 7.112 6214664
>> 114.006 9.988 7.118 11007131
>> 114.070 0.952 7.117 15060022
>> 114.101 6.507 7.116 15831375
>> 117.756 7.110 6.778 61786368
>> 117.849 2.869 6.775 10046125
>> 118.155 7.120 6.822 58488444
>> 118.209 4.237 6.822 5835104
>> 118.523 0.480 6.694 12725345
>> 118.525 7.028 6.697 50206812
>> 120.829 3.947 6.070 5680186
>> 121.745 4.147 7.311 10619151
>> 121.788 6.888 7.304 9777827
>> 121.850 6.355 7.308 5418714
>> 122.982 6.859 6.450 9388536
>> 123.032 6.458 6.455 55511608
>> 123.039 7.118 6.507 10039349
>> 123.087 6.501 6.503 69027064
>> 123.095 4.002 6.499 7600336
>> 123.103 4.532 6.456 6783129
>> 123.119 0.975 6.503 7989490
>> 123.119 6.051 6.509 4725131
>> 127.216 3.171 7.183 8394545
>> 127.223 9.985 7.173 23678248
>> 127.314 0.946 7.177 16748064
>> 128.306 0.677 7.381 9531975
>> 128.326 3.435 7.376 8733137
>> 128.396 3.697 7.374 4668465
>> 128.412 10.030 7.376 14822282
>> 132.149 2.994 7.272 7129386
>> 132.831 4.499 7.032 8863390
>> 132.838 3.066 7.125 11828531
>> 132.847 4.229 7.128 8824473
>> 132.849 3.208 7.123 13745933
>> 132.855 6.804 7.125 42797940
>> 132.857 6.693 7.031 31624608
>> 132.860 2.674 7.033 9730989
>> 132.889 3.278 7.035 10188869
>> 133.545 2.873 7.118 13731437
>> 133.573 2.714 7.115 13964311
>> 133.613 6.782 7.115 37372604
>> 133.613 4.591 7.112 6680496
>> 133.613 7.882 7.114 4815992
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_source_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 C 13 Carom 1 6413.526 . . 17971 3
>> 2 H 1 H 2 10201.248 . . 17971 3
>> 3 H 1 HC 1 12755.102 . . 17971 3
>>
>> stop_
>>
>>save_
>>
;
save_
save_4D_ccnoesy.list
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '4D CC-NOESY'
_Number_of_spectral_dimensions 4
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C Caliph
2 C C
3 H HC
4 H HC
stop_
_Sample_label $NC_sample_in_D2O
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_4D_ccnoesy.list
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list
>> _Spectral_peak_list.Entry_ID 17971
>> _Spectral_peak_list.ID 4
>> _Spectral_peak_list.Sample_ID 3
>> _Spectral_peak_list.Sample_label $NC_sample_in_D2O
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Experiment_ID 20
>> _Spectral_peak_list.Experiment_name '4D CC-NOESY'
>> _Spectral_peak_list.Number_of_spectral_dimensions 4
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>> 13.940 21.020 4.057 0.785 189205
>> 13.940 29.290 1.763 0.783 247459
>> 13.940 29.998 2.049 0.783 108523
>> 13.940 17.719 1.751 0.783 -150052
>> 13.940 22.099 1.215 0.784 153586
>> 13.940 29.307 1.104 0.782 241909
>> 13.940 23.464 3.766 0.787 61809
>> 13.940 17.198 0.775 0.789 358959
>> 13.940 13.940 0.781 0.783 10634908
>> 13.940 13.940 0.980 0.983 8226795
>> 13.940 29.499 1.945 0.983 234815
>> 13.940 17.851 1.914 0.981 -142715
>> 13.940 14.577 4.565 0.982 163673
>> 14.377 29.683 0.118 6.777 532968
>> 14.380 14.364 -0.215 6.774 4190473
>> 14.567 14.569 -0.167 6.826 3472386
>> 14.575 29.356 0.135 6.824 651550
>> 14.828 22.248 0.465 6.694 -82379
>> 14.916 29.315 0.032 6.691 270843
>> 14.941 14.943 -0.302 6.692 2803314
>> 15.602 17.172 0.765 0.764 -590699
>> 15.774 15.782 -0.366 6.626 785581
>> 16.427 16.447 0.250 6.580 420143
>> 17.103 29.269 1.106 0.760 105996
>> 17.119 29.989 2.059 0.767 95891
>> 17.156 22.107 1.213 0.766 300779
>> 17.177 22.126 0.674 0.763 233414
>> 17.183 17.180 0.766 0.766 11161451
>> 17.186 17.695 1.745 0.766 -260887
>> 17.187 29.280 1.767 0.764 97602
>> 17.191 23.541 3.768 0.766 213641
>> 17.229 23.706 0.429 0.764 59067
>> 17.353 22.833 3.968 6.084 -46950
>> 17.427 16.062 -0.365 6.626 -47532
>> 17.490 27.495 1.204 0.925 124538
>> 17.575 19.980 4.178 0.922 174353
>> 17.631 27.432 1.497 0.924 93320
>> 17.657 18.140 1.877 0.915 -415271
>> 18.083 17.844 4.169 7.318 -93755
>> 18.234 18.230 0.324 7.317 298152
>> 18.250 16.486 0.326 7.310 -148777
>> 18.414 18.365 6.065 6.066 138053
>> 18.614 19.710 3.959 6.526 -31608
>> 18.733 21.824 0.667 0.752 -30942
>> 19.009 27.419 1.575 0.301 52717
>> 19.144 23.201 1.750 0.299 -54919
>> 19.178 33.987 3.620 0.300 -331644
>> 19.180 22.845 3.962 0.298 173452
>> 19.194 19.186 0.297 0.300 8848821
>> 19.199 28.092 1.001 0.300 293994
>> 19.243 30.805 -0.138 6.482 -54018
>> 19.246 25.124 0.931 0.297 134925
>> 19.255 24.946 1.234 0.307 64981
>> 19.599 19.598 6.469 6.467 477956
>> 19.618 19.189 4.012 6.515 -86431
>> 19.633 28.043 1.007 6.510 -55725
>> 19.641 19.641 -0.474 6.494 405484
>> 19.697 30.860 -0.112 6.456 -76694
>> 19.701 31.208 0.123 6.510 -91028
>> 19.752 22.316 -0.302 6.498 -43327
>> 20.114 21.763 1.199 1.201 -1445201
>> 20.152 17.800 1.791 1.198 33149
>> 20.163 21.783 1.003 0.997 -1200683
>> 21.617 24.457 0.748 0.859 42708
>> 21.664 20.581 4.333 1.203 151272
>> 21.676 28.362 4.197 1.199 252352
>> 21.707 21.705 1.199 1.200 34319468
>> 21.724 27.586 0.181 0.994 -55005
>> 21.762 31.040 0.139 1.002 57116
>> 21.770 24.681 3.120 0.998 184532
>> 21.774 23.031 3.253 1.001 -109461
>> 21.777 21.767 0.995 0.997 23428828
>> 21.783 31.460 2.037 0.997 364848
>> 21.798 21.745 1.003 0.479 -115634
>> 21.830 28.072 0.476 0.996 -54836
>> 21.859 26.241 3.507 0.990 169486
>> 21.862 32.076 2.304 0.990 199889
>> 21.872 23.644 0.443 0.994 121488
>> 21.922 19.317 3.508 0.986 60884
>> 21.948 24.041 -0.186 0.995 83383
>> 21.978 23.902 -0.261 1.207 75505
>> 22.037 24.594 0.916 0.820 -33853
>> 22.060 23.755 0.447 0.445 -405187
>> 22.079 23.611 0.447 1.209 210075
>> 22.079 29.915 4.044 1.210 280315
>> 22.100 13.940 0.779 1.212 161938
>> 22.103 21.588 1.779 0.687 -55387
>> 22.110 17.211 0.774 0.688 200616
>> 22.118 17.740 1.750 1.210 -175795
>> 22.122 21.001 4.053 1.209 365703
>> 22.132 24.160 -0.152 0.687 358739
>> 22.143 17.183 0.762 1.210 301493
>> 22.153 16.535 4.007 0.686 350903
>> 22.158 22.164 0.683 0.686 7196946
>> 22.166 26.970 1.458 0.685 156079
>> 22.209 27.078 1.593 0.474 115072
>> 22.232 21.251 1.502 0.482 -56442
>> 22.238 24.189 1.100 0.481 90568
>> 22.238 21.210 1.806 0.476 -43252
>> 22.270 14.933 4.166 0.476 186048
>> 22.270 25.607 0.835 0.477 263956
>> 22.313 29.881 3.460 0.688 43595
>> 22.412 15.076 -0.301 0.482 -55325
>> 22.688 26.523 4.152 1.278 210198
>> 22.699 21.602 3.895 1.279 114090
>> 22.725 22.726 1.277 1.279 20793978
>> 22.734 13.940 4.026 1.281 121300
>> 22.762 25.590 3.768 1.279 175505
>> 22.885 30.110 3.558 0.864 -72760
>> 22.921 32.295 4.764 0.861 -404873
>> 22.930 30.009 2.588 0.856 51534
>> 22.948 29.848 1.893 0.856 50026
>> 22.953 26.638 1.544 0.859 228622
>> 23.008 23.851 1.445 0.857 -151614
>> 23.026 23.023 0.855 0.858 17744196
>> 23.184 31.464 2.033 0.958 312609
>> 23.212 23.914 1.634 0.852 -133111
>> 23.220 24.705 3.122 0.958 231174
>> 23.245 23.870 -0.282 0.848 85016
>> 23.350 20.005 4.033 0.845 140965
>> 23.357 32.075 2.301 0.845 191304
>> 23.360 21.630 3.915 0.843 105466
>> 23.386 26.250 3.507 0.844 243495
>> 23.471 23.609 0.453 0.846 246244
>> 23.482 21.068 1.343 0.935 -159917
>> 23.582 14.615 4.649 0.916 403267
>> 23.590 27.410 1.812 0.926 296671
>> 23.594 25.536 0.954 7.180 -141833
>> 23.599 32.273 4.653 0.926 -317857
>> 23.600 17.220 0.765 0.448 65803
>> 23.604 23.515 0.871 0.458 202356
>> 23.609 18.867 2.227 0.912 72408
>> 23.629 23.633 0.186 7.183 1815181
>> 23.630 21.905 1.010 0.447 115034
>> 23.633 23.644 0.930 1.267 594990
>> 23.638 17.007 -0.474 0.444 -100956
>> 23.641 23.640 0.446 0.446 9002292
>> 23.644 22.228 0.685 0.448 138825
>> 23.646 23.881 -0.264 0.446 405926
>> 23.657 16.587 3.649 0.446 296348
>> 23.667 25.546 1.260 0.444 184350
>> 23.686 21.174 1.665 0.959 -415616
>> 23.718 23.734 0.944 1.303 710059
>> 23.744 22.047 1.198 0.447 165742
>> 23.843 25.573 1.267 -0.273 153653
>> 23.862 24.694 3.124 -0.270 122257
>> 23.876 23.865 -0.273 -0.272 6472762
>> 23.878 27.366 1.567 0.915 273538
>> 23.892 23.636 0.446 -0.273 341974
>> 23.895 25.926 0.649 -0.270 151739
>> 23.899 17.135 0.411 -0.273 -131217
>> 23.974 22.080 1.208 -0.270 52185
>> 24.072 26.922 1.472 -0.151 127772
>> 24.103 23.086 0.850 -0.270 83062
>> 24.108 22.189 0.683 -0.158 255768
>> 24.108 17.541 3.890 1.081 143758
>> 24.127 21.724 1.766 -0.158 -134839
>> 24.139 20.505 1.395 1.080 -115933
>> 24.141 17.915 1.312 1.078 114599
>> 24.151 24.146 0.947 0.948 59614276
>> 24.159 16.606 4.014 -0.161 51485
>> 24.160 24.168 -0.159 -0.157 5729472
>> 24.167 23.652 0.449 -0.159 145990
>> 24.173 24.180 1.076 1.080 10362155
>> 24.178 17.201 4.372 1.083 268178
>> 24.202 33.070 2.341 1.072 45308
>> 24.205 28.332 1.351 1.079 79114
>> 24.205 22.321 0.493 1.086 92893
>> 24.208 27.311 1.672 1.081 218562
>> 24.210 19.375 3.512 -0.154 67669
>> 24.230 20.410 2.317 1.083 -58552
>> 24.648 24.659 0.393 7.385 969830
>> 24.690 22.196 0.675 7.386 -96100
>> 24.889 24.923 0.924 -0.188 -117411
>> 24.897 31.157 0.130 0.930 67428
>> 24.903 24.879 0.922 0.924 47350116
>> 24.937 21.282 1.671 0.915 -428641
>> 24.991 23.237 1.716 0.931 -163183
>> 24.992 17.887 1.323 1.233 306882
>> 24.998 19.238 0.299 1.233 106291
>> 25.010 25.002 1.230 1.233 8170346
>> 25.019 23.180 1.552 0.933 -152139
>> 25.021 19.202 0.292 0.933 153979
>> 25.023 28.067 1.003 1.233 369607
>> 25.032 17.868 4.159 1.234 206795
>> 25.052 21.603 2.033 1.236 -71388
>> 25.063 26.649 1.828 1.233 155682
>> 25.183 18.642 2.247 0.939 70630
>> 25.314 25.302 0.933 1.230 395568
>> 25.322 14.590 4.651 0.931 79414
>> 25.541 21.242 1.527 0.844 -80603
>> 25.595 21.195 1.799 0.840 -106468
>> 25.615 27.079 1.607 0.847 159375
>> 25.621 25.622 0.843 0.845 8332579
>> 25.657 22.312 0.489 0.846 270383
>> 25.681 25.580 0.950 0.650 229748
>> 25.792 23.892 1.443 0.652 -94599
>> 25.844 26.590 1.532 0.653 122471
>> 25.847 23.002 0.862 0.654 431430
>> 25.864 29.929 4.047 0.657 64959
>> 25.869 25.862 0.653 0.653 4516750
>> 25.870 23.871 -0.275 0.653 150842
>> 25.884 23.935 1.604 0.650 -92429
>> 26.115 21.104 3.787 0.637 45834
>> 26.233 20.484 2.333 1.018 -103610
>> 26.264 26.258 1.017 1.021 8695583
>> 26.266 20.610 1.399 1.021 -117281
>> 26.273 17.876 1.310 1.022 197001
>> 26.283 19.051 4.015 1.022 110499
>> 26.334 27.310 1.697 1.020 190720
>> 26.360 26.369 0.287 7.280 2346900
>> 26.537 28.052 0.317 7.280 472570
>> 28.008 21.723 2.045 1.003 -78427
>> 28.016 21.647 2.527 1.004 -91375
>> 28.020 28.086 0.343 7.336 1892664
>> 28.040 16.605 0.328 7.335 69691
>> 28.056 19.195 0.298 1.003 327357
>> 28.062 19.642 -0.474 1.009 -70073
>> 28.070 24.978 1.232 1.006 332814
>> 28.074 28.079 1.003 1.004 7574619
>> 28.094 19.166 4.015 1.007 62260
>> 28.111 18.765 2.234 1.004 140734
>> 28.135 26.530 1.825 1.003 147612
>> 28.198 20.560 1.390 1.009 -51504
>> 28.221 23.325 1.716 1.002 -78718
>> 28.341 28.314 0.304 7.293 2470932
>> 28.929 28.928 1.678 1.015 157278
>> 29.314 14.959 -0.297 7.026 265877
>> 29.334 21.180 4.243 7.125 -70350
>> 29.370 29.370 0.050 7.029 1267350
>> 29.973 29.959 0.129 7.123 3308636
>> 29.978 18.581 2.879 7.124 104181
>> 30.633 19.575 6.469 6.881 -106585
>> 30.651 20.584 4.550 6.878 85238
>> 30.780 30.773 -0.113 6.880 1261123
>> 31.172 21.697 1.008 7.125 72481
>> 31.214 19.656 -0.474 7.120 -80592
>> 31.233 23.677 0.937 7.124 67041
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_source_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 C 13 Caliph 1 3124.146 . . 17971 4
>> 2 C 13 C 2 3124.146 . . 17971 4
>> 3 H 1 HC 2 4197.272 . . 17971 4
>> 4 H 1 HC 1 8000.000 . . 17971 4
>>
>> stop_
>>
>>save_
>>
;
save_
save_Nus_nnoesy.list
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-15N NOESY_NUS'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 N HN
2 H H
3 H NH
stop_
_Sample_label $NC_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format "NMR-STAR v3"
_Text_data
;
>>save_Nus_nnoesy.list
>> _Spectral_peak_list.Sf_category spectral_peak_list
>> _Spectral_peak_list.Sf_framecode Nus_nnoesy.list
>> _Spectral_peak_list.Entry_ID 17971
>> _Spectral_peak_list.ID 5
>> _Spectral_peak_list.Sample_ID 1
>> _Spectral_peak_list.Sample_label $NC_sample
>> _Spectral_peak_list.Sample_condition_list_ID 1
>> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
>> _Spectral_peak_list.Experiment_ID 21
>> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY_NUS'
>> _Spectral_peak_list.Number_of_spectral_dimensions 3
>> _Spectral_peak_list.Details .
>> _Spectral_peak_list.Text_data_format text
>> _Spectral_peak_list.Text_data
>>;
>>
>> 104.141 3.973 7.835 24370474
>> 104.141 1.194 7.836 64202152
>> 104.141 4.484 7.836 91197392
>> 104.141 0.824 7.836 8044426
>> 104.141 0.759 7.836 9673568
>> 104.141 2.034 7.829 23500100
>> 104.141 2.136 7.829 28065360
>> 104.141 2.371 7.827 6795449
>> 104.141 2.645 7.836 8922935
>> 104.141 4.314 7.834 14238126
>> 104.141 7.715 7.833 89258392
>> 104.162 8.344 7.832 32816972
>> 104.169 4.037 7.833 54814256
>> 108.118 2.635 6.562 9563764
>> 108.134 2.374 7.228 27360022
>> 108.136 0.924 6.564 12541114
>> 108.151 2.368 6.564 15792206
>> 108.156 6.563 7.223 549751552
>> 108.156 0.935 7.228 14650186
>> 108.167 7.226 6.565 508674304
>> 108.306 7.850 8.158 74375840
>> 108.306 8.016 8.158 67994712
>> 108.306 2.835 8.154 25166534
>> 108.306 3.988 8.155 136672832
>> 108.306 4.251 8.155 29007450
>> 108.306 4.135 8.157 8929828
>> 108.306 4.682 8.155 45662832
>> 110.121 3.928 8.511 7228942
>> 110.300 1.651 8.412 8787818
>> 110.300 8.052 8.410 21912400
>> 110.313 1.781 8.409 13489930
>> 110.319 3.936 8.410 138590864
>> 110.320 4.297 8.411 135655680
>> 110.327 1.860 8.411 21423536
>> 110.816 2.890 7.559 33479926
>> 110.822 7.559 6.907 502144480
>> 110.825 6.899 7.558 452789120
>> 110.843 2.886 6.910 27315332
>> 111.272 7.612 6.847 529460064
>> 111.272 2.815 6.847 16013009
>> 111.272 2.932 6.843 23766614
>> 111.272 4.104 6.843 8384163
>> 111.272 0.938 6.847 29080112
>> 111.272 1.598 6.843 15152406
>> 111.272 4.554 6.845 6544930
>> 111.275 2.940 7.608 27336684
>> 111.275 2.820 7.610 18805202
>> 111.275 1.600 7.608 10085878
>> 111.275 6.840 7.607 432157696
>> 111.275 4.543 7.600 7576491
>> 111.275 4.098 7.606 9923311
>> 111.275 0.943 7.604 18940334
>> 111.277 6.799 7.410 701368960
>> 111.277 2.524 7.404 15512860
>> 111.278 7.403 6.790 1253723008
>> 111.278 2.515 6.792 8351063
>> 111.278 2.229 6.789 8927637
>> 111.278 3.991 6.787 9118095
>> 112.007 2.465 7.529 23438292
>> 112.045 7.531 6.902 861719744
>> 112.045 4.104 6.896 12362874
>> 112.045 2.459 6.898 10684377
>> 112.045 2.039 6.906 8278943
>> 112.050 6.896 7.529 1089986304
>> 112.387 2.116 7.480 17772030
>> 112.396 7.482 6.832 877517824
>> 112.402 2.116 6.821 10079839
>> 112.409 6.822 7.483 699292608
>> 112.713 2.335 7.531 16985114
>> 112.713 2.493 7.531 7679794
>> 112.956 2.494 7.658 62865616
>> 112.979 1.912 6.996 6236902
>> 112.979 0.847 6.998 11965899
>> 112.979 0.904 6.994 9107834
>> 112.984 0.856 7.653 13626909
>> 112.984 0.921 7.651 12295722
>> 112.984 1.872 7.649 8303970
>> 112.990 6.992 7.658 447416480
>> 113.004 7.656 6.994 435720736
>> 113.006 2.496 6.993 38123732
>> 113.210 1.947 7.306 28237134
>> 113.210 1.670 7.309 19820332
>> 113.210 3.198 7.311 38255736
>> 113.210 3.260 7.310 37644164
>> 113.210 2.229 7.310 11899637
>> 113.210 0.915 7.310 8905850
>> 113.210 0.980 7.311 9316922
>> 113.366 1.610 7.216 22563436
>> 113.366 1.929 7.219 9096416
>> 113.366 3.158 7.226 40425520
>> 113.400 1.778 7.217 17043914
>> 113.414 2.985 7.130 15122771
>> 113.430 2.047 7.128 11591687
>> 113.456 2.923 7.128 20804516
>> 113.463 3.264 7.378 47368944
>> 113.463 1.956 7.380 7933774
>> 113.463 1.708 7.379 8024010
>> 113.740 3.172 7.177 31848008
>> 113.740 1.605 7.189 13621091
>> 114.138 2.790 7.818 35962236
>> 114.141 2.793 6.982 14463546
>> 114.144 7.807 6.974 504566208
>> 114.147 4.625 7.812 7084472
>> 114.162 6.970 7.823 340118592
>> 114.389 6.944 7.506 736669376
>> 114.389 7.513 6.945 523389632
>> 114.389 1.643 7.508 6810586
>> 114.389 2.558 6.938 13727420
>> 114.389 2.648 6.938 15903762
>> 114.389 1.646 6.934 7935720
>> 114.389 0.298 6.936 7059204
>> 114.404 2.560 7.507 29622158
>> 114.405 2.662 7.507 28255190
>> 114.584 4.268 7.992 17776036
>> 114.584 4.347 7.990 43959072
>> 114.584 8.479 7.989 66748256
>> 114.584 6.898 7.989 75265272
>> 114.584 3.613 7.987 28579586
>> 114.584 3.197 7.992 8724133
>> 114.584 1.778 7.987 48296108
>> 114.584 1.658 7.994 88121632
>> 114.584 1.547 7.994 21165278
>> 114.584 0.295 7.998 6412152
>> 114.612 1.930 7.991 54251484
>> 114.670 2.379 7.778 51403360
>> 114.686 6.882 7.774 606260672
>> 114.686 3.807 7.768 9183290
>> 114.705 7.774 6.886 821088256
>> 114.705 2.374 6.877 25793322
>> 114.800 1.642 6.909 12131173
>> 114.800 1.799 6.911 31004292
>> 114.800 1.919 6.914 111610496
>> 114.800 2.035 6.909 14874478
>> 114.800 4.391 6.911 15217616
>> 114.842 8.504 6.910 45263432
>> 114.842 7.998 6.910 85035816
>> 114.848 4.269 6.910 43201828
>> 114.875 4.002 6.907 13426695
>> 115.096 2.055 7.436 22376246
>> 115.101 3.957 7.434 41456128
>> 115.101 3.772 7.434 15676051
>> 115.101 4.059 7.429 27459392
>> 115.101 4.129 7.429 22480022
>> 115.101 2.362 7.427 7835038
>> 115.101 0.938 7.427 13346618
>> 115.101 2.099 7.429 21002744
>> 115.105 2.496 7.428 13120550
>> 115.106 2.005 7.434 25437770
>> 115.115 7.656 7.434 64075952
>> 115.119 9.229 7.436 25920108
>> 115.196 8.097 7.919 44362980
>> 115.196 8.040 7.921 66810636
>> 115.202 1.199 7.912 30992020
>> 115.206 3.237 7.915 17533570
>> 115.217 4.682 7.915 63561584
>> 115.220 4.187 7.915 47005968
>> 115.224 3.888 7.722 10209181
>> 115.224 4.484 7.720 28185066
>> 115.224 3.273 7.722 22061044
>> 115.224 2.677 7.720 46493480
>> 115.224 1.138 7.729 10979163
>> 115.224 6.656 7.720 14941558
>> 115.224 7.030 7.722 22236748
>> 115.224 8.088 7.725 34268652
>> 115.224 4.331 7.719 7766530
>> 115.224 1.719 7.722 8538336
>> 115.224 1.348 7.715 4507886
>> 115.229 2.974 7.916 16661120
>> 115.231 4.323 7.915 44691584
>> 115.488 8.069 7.719 21235866
>> 115.488 7.828 7.717 99504208
>> 115.488 4.486 7.719 28501614
>> 115.488 4.305 7.721 136360240
>> 115.488 4.019 7.721 40281644
>> 115.488 3.603 7.716 13383106
>> 115.488 3.430 7.719 11718521
>> 115.488 2.677 7.717 11675716
>> 115.488 1.198 7.712 13658112
>> 115.522 1.272 9.023 58701460
>> 115.522 3.758 9.023 55623740
>> 115.522 4.142 9.025 43735116
>> 115.522 8.019 9.025 37737536
>> 115.522 3.866 9.016 8861320
>> 115.522 1.632 9.016 8304975
>> 115.522 9.100 9.023 13247577
>> 115.540 4.043 9.022 32615032
>> 115.542 4.446 9.024 71767664
>> 115.543 4.549 9.024 120419776
>> 115.751 2.120 7.791 6156463
>> 115.751 2.698 7.795 44115584
>> 115.751 2.790 7.795 79295624
>> 115.751 3.211 7.793 14477053
>> 115.751 7.864 7.788 71846432
>> 115.751 4.625 7.789 6189194
>> 115.751 3.724 7.799 7235188
>> 115.751 1.952 7.787 11692153
>> 115.762 8.185 7.653 61786892
>> 115.762 6.628 7.655 46095448
>> 115.762 4.141 7.649 12157799
>> 115.762 3.724 7.651 16295390
>> 115.762 3.016 7.651 25543218
>> 115.762 1.929 7.653 20051368
>> 115.762 1.725 7.651 37804868
>> 115.762 1.646 7.651 36769384
>> 115.781 4.484 7.793 43781612
>> 115.787 1.849 7.795 32997892
>> 115.788 2.295 7.795 9969115
>> 115.795 4.377 7.657 31482290
>> 115.799 4.177 7.792 12283971
>> 115.921 4.139 8.554 9035509
>> 115.921 4.567 8.554 10612048
>> 115.921 3.204 8.549 35664908
>> 115.921 3.065 8.554 45223760
>> 115.921 2.210 8.549 12599609
>> 115.921 1.813 8.549 6970462
>> 115.921 7.114 8.544 7156692
>> 115.921 1.937 8.552 6417830
>> 115.921 0.986 8.544 6541157
>> 115.963 2.516 8.550 27017492
>> 115.973 2.026 8.346 22673994
>> 115.973 2.132 8.348 47066020
>> 115.973 7.792 8.348 45372520
>> 115.973 0.929 8.346 11685743
>> 115.973 7.831 8.349 33320184
>> 115.978 8.182 8.549 32010904
>> 115.980 2.026 8.547 14753512
>> 115.980 9.154 8.549 25921996
>> 115.989 2.367 8.349 23211914
>> 115.995 4.228 8.555 19730930
>> 115.995 2.645 8.350 54739836
>> 115.999 3.998 8.350 59745416
>> 116.000 2.248 8.349 31080544
>> 116.212 8.742 7.243 49349372
>> 116.212 7.938 7.245 34300308
>> 116.212 4.398 7.250 36791972
>> 116.212 2.661 7.245 69161936
>> 116.212 2.559 7.248 44048300
>> 116.212 4.563 7.249 9519175
>> 116.212 4.061 7.245 9171424
>> 116.212 3.665 7.245 10005211
>> 116.232 1.910 7.247 52284104
>> 116.253 0.937 7.248 22319310
>> 117.119 2.790 8.472 127109960
>> 117.119 1.991 8.475 35343064
>> 117.119 7.941 8.476 69178448
>> 117.119 3.869 8.475 24691118
>> 117.119 3.909 8.475 11965449
>> 117.143 4.640 8.473 55917692
>> 117.145 4.343 8.472 61516944
>> 117.318 7.457 8.327 15029385
>> 117.318 7.944 8.335 18462852
>> 117.318 6.069 8.329 13074144
>> 117.318 3.951 8.339 11761271
>> 117.318 4.047 8.335 6642472
>> 117.318 3.379 8.320 18120154
>> 117.318 3.209 8.325 40789360
>> 117.392 4.000 8.501 37515680
>> 117.392 8.751 8.495 18028378
>> 117.392 6.912 8.502 16510218
>> 117.392 2.028 8.499 30708074
>> 117.392 2.102 8.499 25954222
>> 117.393 0.298 8.504 18969582
>> 117.551 4.036 9.104 6883302
>> 117.551 1.425 9.096 10307302
>> 117.551 0.847 9.094 6649344
>> 117.551 4.551 9.106 7678894
>> 117.551 4.743 9.102 43909588
>> 117.551 2.565 9.097 6273054
>> 117.551 1.879 9.097 4603199
>> 117.800 2.330 7.830 11770343
>> 117.800 4.162 7.837 11638792
>> 117.800 1.500 7.835 15604439
>> 117.800 1.786 7.835 18486952
>> 117.800 1.582 7.832 7931974
>> 118.041 3.237 8.510 12913946
>> 118.046 3.840 8.504 41762300
>> 118.054 4.742 8.506 241040464
>> 118.057 4.434 8.511 20780260
>> 118.218 0.764 7.110 40808120
>> 118.218 1.092 7.112 33758596
>> 118.218 1.739 7.110 150699008
>> 118.218 2.058 7.110 39431480
>> 118.218 2.150 7.110 13788436
>> 118.218 3.763 7.112 48277796
>> 118.218 4.063 7.112 10413093
>> 118.218 1.184 7.108 10752920
>> 118.225 2.379 7.113 10383868
>> 118.236 4.380 6.648 11568402
>> 118.243 7.831 7.112 46067312
>> 118.260 8.384 8.701 58401724
>> 118.260 8.772 8.701 57335244
>> 118.260 2.950 8.754 25977348
>> 118.260 2.820 8.754 11659962
>> 118.260 4.214 8.699 36501656
>> 118.260 4.149 8.703 19787200
>> 118.260 3.472 8.697 12576555
>> 118.260 3.178 8.694 66654596
>> 118.260 3.076 8.699 32516246
>> 118.260 0.830 8.697 13745625
>> 118.260 0.963 8.697 22012400
>> 118.265 2.289 8.700 49991496
>> 118.286 1.138 6.646 29576488
>> 118.286 1.351 6.643 15824356
>> 118.286 3.888 6.648 20093558
>> 118.286 7.672 6.646 28605008
>> 118.286 7.720 6.646 10082286
>> 118.307 1.718 6.648 21874022
>> 118.450 4.202 8.750 14327493
>> 118.458 3.085 8.752 28803086
>> 118.458 8.412 8.749 41664492
>> 118.458 8.703 8.747 57980580
>> 118.458 0.958 8.756 14838359
>> 118.458 2.815 8.756 34218032
>> 118.458 2.932 8.752 71067384
>> 118.458 3.178 8.754 42166704
>> 118.458 4.121 8.754 22861844
>> 118.458 4.554 8.754 34563048
>> 118.458 7.630 8.750 7212604
>> 118.581 1.642 7.899 60796572
>> 118.581 8.393 7.900 39123976
>> 118.581 9.091 7.899 12920376
>> 118.581 8.023 7.899 41741104
>> 118.581 4.442 7.899 9281125
>> 118.581 4.123 7.899 37435356
>> 118.581 2.566 7.897 61536940
>> 118.581 2.497 7.894 87268824
>> 118.581 1.873 7.901 23594702
>> 118.581 0.824 7.901 9170862
>> 118.790 8.550 8.189 23460540
>> 118.790 1.731 8.182 36485336
>> 118.790 1.929 8.178 63629300
>> 118.790 2.184 8.182 22898750
>> 118.790 2.342 8.182 24614610
>> 118.790 3.065 8.180 34279652
>> 118.790 3.203 8.180 15448895
>> 118.790 3.724 8.180 39249408
>> 118.790 4.226 8.182 17895094
>> 118.790 7.123 8.180 8616258
>> 118.790 7.655 8.178 43141376
>> 118.790 9.148 8.186 7555324
>> 118.825 4.571 8.182 7393632
>> 118.917 7.804 7.858 88265496
>> 118.917 4.371 7.853 11837723
>> 118.917 2.023 7.844 8839868
>> 118.917 8.913 7.867 9271757
>> 118.917 7.839 7.858 1041350848
>> 118.921 0.881 8.705 16865266
>> 118.921 1.343 8.705 41388552
>> 118.921 2.470 8.705 9066326
>> 118.921 7.553 8.703 52669412
>> 118.921 7.873 8.701 42151512
>> 118.926 3.921 8.708 11667151
>> 118.943 3.487 8.706 31568034
>> 118.944 2.161 8.705 21540368
>> 118.945 1.856 8.706 47824484
>> 118.946 2.991 7.855 35771976
>> 118.948 1.578 8.707 37111352
>> 118.996 4.643 7.945 47729644
>> 118.999 4.166 7.942 50225296
>> 119.003 2.797 7.944 50903872
>> 119.003 1.912 7.943 81169104
>> 119.003 2.111 7.943 36263728
>> 119.003 4.329 7.941 13851768
>> 119.003 8.029 7.948 65546624
>> 119.003 8.479 7.946 69086816
>> 119.008 2.718 7.865 31092546
>> 119.008 2.813 7.859 28870232
>> 119.008 4.597 7.865 20853334
>> 119.027 1.825 9.230 16214239
>> 119.028 0.924 8.470 16784482
>> 119.028 1.547 8.467 53257612
>> 119.028 3.197 8.474 8992723
>> 119.028 3.604 8.472 36566724
>> 119.028 4.625 8.474 29084940
>> 119.028 7.702 8.467 90997000
>> 119.028 7.993 8.465 58142632
>> 119.028 3.710 8.469 8571020
>> 119.028 1.691 8.471 45126060
>> 119.028 1.753 8.471 22918498
>> 119.028 0.295 8.476 7841294
>> 119.028 0.994 8.467 6200436
>> 119.031 4.221 7.854 14119733
>> 119.034 1.734 8.569 65248348
>> 119.038 4.008 9.229 25983386
>> 119.041 4.501 7.870 50768720
>> 119.048 9.228 9.234 679312704
>> 119.048 1.926 9.231 9500042
>> 119.048 8.781 9.226 24097734
>> 119.048 7.432 9.233 37565620
>> 119.048 2.386 9.231 17338226
>> 119.048 2.460 9.231 12440909
>> 119.048 2.058 9.231 58232976
>> 119.048 1.499 9.230 9862646
>> 119.048 2.502 9.229 6638382
>> 119.048 1.990 9.229 14282960
>> 119.055 1.294 7.867 11850417
>> 119.057 4.137 9.231 37537080
>> 119.064 7.104 7.868 27720506
>> 119.064 2.323 7.857 19208796
>> 119.070 4.357 8.472 10601302
>> 119.081 8.920 8.071 18239062
>> 119.081 7.709 8.069 52536916
>> 119.081 4.909 8.083 23709680
>> 119.081 2.880 8.078 21236718
>> 119.081 1.297 8.076 8432531
>> 119.081 2.679 8.076 8086759
>> 119.081 3.271 8.070 10432628
>> 119.081 4.495 8.082 20670480
>> 119.083 8.479 7.707 85793896
>> 119.083 0.901 7.699 8359676
>> 119.083 0.994 7.699 19381516
>> 119.083 1.060 7.699 11634101
>> 119.083 1.394 7.699 52318828
>> 119.083 1.535 7.700 26940328
>> 119.083 1.708 7.702 36905572
>> 119.083 2.308 7.700 44824320
>> 119.083 3.201 7.704 22929902
>> 119.083 3.713 7.700 28829902
>> 119.083 3.999 7.700 20751496
>> 119.083 4.367 7.700 28055092
>> 119.083 4.622 7.700 11371255
>> 119.150 9.109 8.552 58978980
>> 119.150 7.848 8.559 23683630
>> 119.150 4.488 8.554 26824210
>> 119.150 3.948 8.556 8697035
>> 119.150 2.460 8.554 34519200
>> 119.150 2.086 8.556 132262760
>> 119.150 2.021 8.556 66796404
>> 119.150 1.462 8.566 29743148
>> 119.150 0.926 8.563 12951717
>> 119.150 -0.174 8.568 11157505
>> 119.150 8.471 8.570 18921974
>> 119.158 3.996 8.559 20472868
>> 119.158 7.808 8.570 20320582
>> 119.169 4.128 8.557 64090348
>> 119.238 0.908 8.317 21869588
>> 119.245 1.856 8.317 16515594
>> 119.245 3.862 8.313 41573304
>> 119.261 4.434 8.310 31321706
>> 119.261 4.146 8.315 118410552
>> 119.294 1.183 8.313 8920546
>> 119.325 2.368 7.838 22610858
>> 119.325 2.843 7.847 33152492
>> 119.325 4.696 7.849 16048435
>> 119.325 7.108 7.833 48053328
>> 119.325 7.653 7.829 72091552
>> 119.325 4.146 7.833 23236024
>> 119.325 4.008 7.833 14859739
>> 119.325 2.065 7.834 69965488
>> 119.325 2.167 7.827 88106256
>> 119.325 0.963 7.829 25669888
>> 119.325 2.018 7.832 56358560
>> 119.329 3.107 7.838 10068456
>> 119.344 3.807 7.834 48595492
>> 119.397 4.259 7.854 58218728
>> 119.397 1.926 7.854 26542202
>> 119.397 8.160 7.853 51495312
>> 119.397 7.956 7.853 54603488
>> 119.397 1.714 7.851 13307126
>> 119.548 7.268 8.035 14945061
>> 119.548 7.933 8.033 96023896
>> 119.548 4.167 8.038 64122392
>> 119.548 4.342 8.040 14222880
>> 119.548 3.235 8.038 30386038
>> 119.548 2.971 8.038 65948876
>> 119.563 4.679 8.040 26572116
>> 119.580 0.940 7.660 103940816
>> 119.580 1.434 7.662 9016511
>> 119.580 3.768 7.655 13096732
>> 119.580 7.423 7.651 81110112
>> 119.580 7.834 7.648 69271536
>> 119.580 0.839 7.653 10478136
>> 119.580 0.635 7.657 8626684
>> 119.580 1.527 7.651 9448165
>> 119.580 1.615 7.657 17131844
>> 119.580 2.017 7.651 99687752
>> 119.580 3.940 7.651 45279308
>> 119.580 4.033 7.651 26513534
>> 119.580 4.489 7.659 11517017
>> 119.580 4.764 7.661 9279639
>> 119.580 4.299 7.659 6119936
>> 119.591 4.013 8.621 30035646
>> 119.591 6.511 8.616 5909340
>> 119.592 0.396 8.616 29651282
>> 119.599 2.129 8.038 7469063
>> 119.617 3.108 7.653 48465056
>> 119.618 -0.290 8.617 6702674
>> 119.619 1.913 8.032 20815928
>> 119.694 0.981 8.616 10496034
>> 119.694 1.952 8.616 105282208
>> 119.694 3.111 8.616 9958719
>> 119.694 7.095 8.614 44067228
>> 119.694 3.645 8.614 8202220
>> 119.694 3.812 8.614 14378432
>> 119.694 -0.484 8.614 8264698
>> 119.740 1.184 7.653 11545134
>> 119.740 3.430 7.655 8732800
>> 119.740 3.614 7.653 7219088
>> 119.740 9.083 7.655 8033532
>> 119.771 8.382 8.015 50782996
>> 119.771 8.160 8.017 71813824
>> 119.771 1.728 8.017 73095688
>> 119.771 4.257 8.018 13608917
>> 119.771 1.816 8.020 36230412
>> 119.771 1.643 8.027 26978472
>> 119.771 1.354 8.020 25774426
>> 119.771 1.422 8.014 18517176
>> 119.771 2.830 8.016 11081917
>> 119.783 4.395 8.020 57328960
>> 119.803 3.994 8.019 56223608
>> 119.805 7.236 7.938 35092468
>> 119.805 4.555 7.943 15523956
>> 119.805 3.678 7.938 25975378
>> 119.805 1.136 7.938 21655174
>> 119.805 0.951 7.941 22049264
>> 119.805 3.954 7.936 8463630
>> 119.805 8.332 7.938 28278902
>> 119.821 3.219 7.944 13478398
>> 119.872 1.916 7.941 92213784
>> 119.916 1.802 7.847 29590094
>> 119.920 7.961 7.841 35237560
>> 119.920 1.940 7.846 54743556
>> 119.920 4.163 7.844 20984746
>> 119.920 4.246 7.846 41524068
>> 119.920 3.254 7.842 6960800
>> 119.920 2.308 7.846 7162375
>> 119.920 1.586 7.846 7181304
>> 119.920 1.705 7.844 7991288
>> 119.920 1.499 7.844 11240702
>> 120.003 3.848 8.315 34377992
>> 120.003 4.500 8.308 20742764
>> 120.038 4.213 8.316 127498992
>> 120.038 0.912 8.309 9750393
>> 120.131 1.946 8.601 61744092
>> 120.181 4.572 8.601 52530288
>> 120.182 2.930 8.601 64221004
>> 120.184 -0.494 7.073 19388488
>> 120.189 2.795 8.600 45212372
>> 120.196 8.208 8.600 45563096
>> 120.196 7.089 8.605 10937404
>> 120.196 4.005 8.603 10770554
>> 120.196 3.741 8.601 16426743
>> 120.196 3.807 8.601 14266440
>> 120.205 8.615 7.073 58025696
>> 120.205 3.745 7.075 11415600
>> 120.205 3.643 7.075 31947856
>> 120.205 3.102 7.073 19943072
>> 120.205 1.938 7.078 9819892
>> 120.205 1.734 7.075 42453496
>> 120.205 1.263 7.078 79711608
>> 120.205 0.404 7.071 58325652
>> 120.205 -0.285 7.078 21281976
>> 120.211 0.751 7.075 30461548
>> 120.297 1.717 7.952 15752990
>> 120.306 7.846 7.948 97858704
>> 120.306 1.490 7.957 12047038
>> 120.306 1.810 7.957 12586087
>> 120.306 1.895 7.957 76241528
>> 120.306 1.960 7.953 65630220
>> 120.319 4.258 7.954 110756320
>> 120.320 1.574 7.952 22177984
>> 120.476 4.512 9.103 104770936
>> 120.476 4.127 9.101 23946288
>> 120.476 3.903 9.103 47448784
>> 120.476 2.079 9.103 79060336
>> 120.476 2.450 9.104 24853838
>> 120.493 8.559 9.109 24428362
>> 120.726 4.424 8.739 60780996
>> 120.726 3.842 8.741 9812282
>> 120.726 3.195 8.737 14923432
>> 120.726 3.294 8.735 11142775
>> 120.726 8.383 8.737 13971157
>> 120.726 4.764 8.734 159520832
>> 120.760 2.252 7.780 98508592
>> 120.760 2.506 7.785 38396504
>> 120.760 2.377 7.782 30048856
>> 120.760 4.133 7.780 18517894
>> 120.760 8.468 7.776 55537640
>> 120.760 8.346 7.780 60613060
>> 120.788 4.009 7.782 121377216
>> 120.792 3.883 7.780 23089924
>> 120.822 1.751 8.308 47472144
>> 120.822 1.820 8.310 32630080
>> 120.822 1.442 8.306 32327482
>> 120.829 1.389 8.310 29544970
>> 120.830 4.310 8.307 141451728
>> 120.936 4.119 9.598 20620496
>> 120.936 2.169 9.594 32557110
>> 120.936 1.554 9.591 13669918
>> 120.936 0.779 9.590 9244630
>> 120.936 1.295 9.590 6663694
>> 120.936 2.359 9.587 6784509
>> 120.936 7.865 9.596 8923090
>> 120.950 4.524 9.595 68286368
>> 120.972 4.101 8.376 8435211
>> 120.983 0.833 8.374 69817456
>> 120.983 0.963 8.374 17125496
>> 120.983 1.619 8.376 7415364
>> 120.983 3.486 8.376 28245364
>> 120.983 3.749 8.381 16840148
>> 120.983 7.903 8.379 47005704
>> 120.983 8.712 8.381 25011886
>> 120.983 1.892 8.376 11690642
>> 120.983 2.501 8.380 9048739
>> 121.004 2.283 8.378 61110888
>> 121.010 2.572 8.376 18723130
>> 121.235 0.921 9.150 8905839
>> 121.235 0.986 9.149 9932536
>> 121.235 1.215 9.149 9183334
>> 121.235 1.813 9.147 9047472
>> 121.235 2.028 9.149 45424460
>> 121.235 2.504 9.150 44101296
>> 121.235 3.430 9.147 18748870
>> 121.235 3.671 9.149 35758704
>> 121.235 4.002 9.149 13742988
>> 121.235 4.132 9.149 25105688
>> 121.235 4.223 9.149 13925386
>> 121.235 6.506 9.147 6341292
>> 121.238 8.561 9.153 23929078
>> 121.248 8.197 9.155 38023596
>> 121.323 2.452 7.870 27574440
>> 121.323 9.592 7.868 14366880
>> 121.323 4.500 7.868 14076448
>> 121.323 3.945 7.872 26661970
>> 121.323 4.118 7.867 21201630
>> 121.323 2.382 7.872 36389084
>> 121.323 2.158 7.870 50959664
>> 121.323 2.099 7.870 32683256
>> 121.323 2.011 7.872 25046188
>> 121.323 1.552 7.867 23671274
>> 121.335 8.564 7.810 52471656
>> 121.335 7.556 7.808 62587384
>> 121.335 3.943 7.814 30962150
>> 121.335 1.711 7.806 138193920
>> 121.335 1.600 7.810 34877160
>> 121.335 0.921 7.810 23095076
>> 121.335 4.008 7.815 18135014
>> 121.339 4.124 7.813 53434312
>> 121.343 4.740 8.706 37467588
>> 121.343 4.675 8.708 10595195
>> 121.343 3.172 8.702 4710166
>> 121.352 1.509 7.812 87233936
>> 121.357 8.548 7.866 46451432
>> 121.371 8.703 7.553 60230168
>> 121.371 7.814 7.551 53714336
>> 121.371 4.115 7.551 24870216
>> 121.371 3.909 7.557 10427573
>> 121.371 3.481 7.551 15620620
>> 121.371 1.586 7.551 27397126
>> 121.371 1.263 7.549 8869319
>> 121.371 0.890 7.551 7872756
>> 121.393 1.858 7.554 36418956
>> 121.394 1.510 7.555 170437232
>> 121.399 4.009 7.555 54418436
>> 121.419 8.718 7.869 25799130
>> 121.999 1.713 8.371 21684286
>> 121.999 8.024 8.380 23997000
>> 121.999 1.640 8.371 10274339
>> 122.010 2.622 8.373 81818856
>> 122.012 4.394 8.372 136826464
>> 122.013 2.814 8.373 83155000
>> 122.014 4.857 8.371 32047590
>> 122.046 1.819 8.373 48695952
>> 122.053 4.291 8.311 73105440
>> 122.053 1.741 8.309 41819188
>> 122.053 1.847 8.311 31636068
>> 122.053 1.640 8.315 21315982
>> 122.073 4.332 8.313 108497624
>> 122.171 4.568 8.199 7932163
>> 122.172 2.930 8.204 20669684
>> 122.178 2.798 8.206 16392585
>> 122.188 9.156 8.198 36111772
>> 122.188 8.596 8.198 45863240
>> 122.188 3.690 8.197 49302088
>> 122.188 3.427 8.199 57767372
>> 122.216 4.222 8.202 30466826
>> 122.232 1.956 8.390 102219168
>> 122.232 2.039 8.390 59889920
>> 122.232 3.172 8.385 13574755
>> 122.232 3.310 8.392 15740976
>> 122.232 4.479 8.383 63550924
>> 122.232 4.752 8.388 241219264
>> 122.232 8.729 8.386 27777010
>> 122.232 2.546 8.390 36356296
>> 122.619 4.213 8.228 33238558
>> 122.619 1.187 8.232 18790868
>> 122.619 0.910 8.227 18252884
>> 122.619 1.745 8.223 12731521
>> 122.625 4.331 8.228 140461088
>> 122.629 1.864 8.227 55385332
>> 122.638 1.456 8.230 14572717
>> 122.736 4.190 8.092 35498504
>> 122.736 0.905 8.093 24027228
>> 122.736 1.483 8.091 29771754
>> 122.736 1.866 8.093 63135924
>> 122.736 8.304 8.093 43183164
>> 122.736 7.913 8.091 26280680
>> 122.764 4.152 8.094 45447204
>> 122.765 4.324 8.094 111587656
>> 122.768 1.194 8.094 34976300
>> 122.950 4.148 8.024 72616808
>> 122.956 4.540 8.027 11355128
>> 122.961 1.646 8.023 134361504
>> 122.961 4.433 8.025 27111658
>> 122.961 9.035 8.025 28294534
>> 122.961 7.903 8.018 55356204
>> 122.961 1.272 8.020 8886091
>> 122.975 3.759 8.023 13317188
>> 123.098 2.819 8.412 10636595
>> 123.116 4.057 8.414 38375880
>> 123.116 3.158 8.413 57769224
>> 123.116 3.366 8.413 52329916
>> 123.116 3.486 8.413 18889258
>> 123.116 8.749 8.411 41180720
>> 123.116 8.321 8.414 38159600
>> 123.116 0.949 8.410 7819205
>> 123.120 4.555 8.411 9199393
>> 123.130 2.935 8.411 24272428
>> 123.207 4.338 8.290 36361136
>> 123.207 4.439 8.288 76590712
>> 123.207 1.598 8.287 17553666
>> 123.207 1.732 8.283 47384796
>> 123.207 1.848 8.285 15412336
>> 123.227 3.862 8.290 17228284
>> 123.353 2.558 8.745 22726912
>> 123.369 0.286 8.749 56744520
>> 123.369 7.226 8.740 42961244
>> 123.369 8.511 8.745 28868738
>> 123.369 4.401 8.750 6310466
>> 123.369 4.056 8.756 9545208
>> 123.369 3.943 8.750 10790308
>> 123.373 2.660 8.745 19417108
>> 123.391 3.618 8.748 21136606
>> 123.636 3.936 8.054 117639592
>> 123.644 4.310 8.058 53335940
>> 123.645 1.381 8.055 126521624
>> 124.270 1.967 8.780 17192922
>> 124.270 9.234 8.774 21396612
>> 124.270 1.896 8.776 61589856
>> 124.270 1.813 8.778 51721564
>> 124.270 1.471 8.771 22184900
>> 124.285 4.007 8.775 50291628
>> 124.294 2.502 8.778 22572304
>> 124.299 4.469 8.777 176232336
>> 125.125 1.810 8.525 102601576
>> 125.125 2.557 8.526 15703642
>> 125.125 1.960 8.525 28907202
>> 125.125 2.051 8.522 36619032
>> 125.125 4.005 8.529 8247752
>> 125.125 3.546 8.525 6902532
>> 125.128 4.489 8.525 293491584
>> 125.130 1.640 8.525 94166800
>> 125.130 1.338 8.524 41563724
>> 125.134 0.935 8.526 49225656
>> 125.143 4.637 8.525 47886280
>> 127.514 4.489 8.047 84006400
>> 127.514 3.855 8.045 9400145
>> 127.529 1.904 8.046 15455875
>> 127.534 4.188 8.058 16297802
>> 129.053 0.954 9.989 74405888
>> 129.053 1.994 9.974 12630323
>> 129.053 3.169 9.983 10785286
>> 129.053 7.165 9.983 153274640
>> 129.053 7.109 9.983 88509912
>> 129.357 8.093 8.921 11211345
>> 129.357 7.113 8.921 8667304
>> 129.361 4.512 8.916 16404165
>> 129.362 1.301 8.917 54993816
>> 129.362 2.885 8.919 5751122
>> 129.366 4.904 8.917 52253420
>> 129.976 2.464 10.002 10978024
>> 129.976 1.578 10.002 11155818
>> 129.976 1.436 10.002 8657679
>> 129.976 0.666 10.000 9070725
>> 129.976 -0.158 10.008 7103378
>> 130.011 7.371 10.008 63771164
>> 130.026 6.873 10.009 22049130
>>;
>>
>> loop_
>> _Spectral_dim.ID
>> _Spectral_dim.Atom_type
>> _Spectral_dim.Atom_isotope_number
>> _Spectral_dim.Spectral_region
>> _Spectral_dim.Magnetization_linkage_ID
>> _Spectral_dim.Sweep_width
>> _Spectral_dim.Encoding_code
>> _Spectral_dim.Encoded_source_dimension_ID
>> _Spectral_dim.Entry_ID
>> _Spectral_dim.Spectral_peak_list_ID
>>
>> 1 N 15 HN 1 2498.350 . . 17971 5
>> 2 H 1 H 2 9351.145 . . 17971 5
>> 3 H 1 NH 1 11904.762 . . 17971 5
>>
>> stop_
>>
>>save_
>>
;
save_