data_27700 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human linker histone NGH1x in low ionic strength conditions ; _BMRB_accession_number 27700 _BMRB_flat_file_name bmr27700.str _Entry_type original _Submission_date 2018-11-21 _Accession_date 2018-11-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Human linker histone H1 plays a seminal role in eukaryotic DNA packaging. H1 has a tripartite structure consisting of a central, conserved globular domain, which adopts a winged-helix fold, flanked by two variable N- and C-terminal domains. Here we present the backbone resonance assignments of the N-terminal domain and globular domain of human linker histone H1x in the presence and absence of the secondary structure stabilizer sodium perchlorate. Analysis of chemical shift changes between the two conditions is consistent with induction of transient secondary structural elements in the N-terminal domain of H1x in high ionic strength, which suggests that the N-terminal domain adopts significant alpha-helical conformations in the presence of DNA. This deposition regards NGH1x in low ionic strength conditions. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Wit' Herna H. . 2 Vallet Alicia A. . 3 Brutscher Bernhard B. . 4 Koorsen Gerrit G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 "13C chemical shifts" 307 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-04 update BMRB 'update entry citation' 2019-01-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27699 'Human linker histone NGH1x in high ionic strength conditions' stop_ _Original_release_date 2018-11-21 save_ ############################# # Citation for this entry # ############################# save_NGH1x_low_ionic _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of human linker histone H1x N-terminal domain and globular domain in the presence and absence of perchlorate ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30868366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Wit' Herna . . 2 Vallet Alicia . . 3 Brutscher Bernhard . . 4 Koorsen Gerrit . . 5 'De Wit' Herna H. . 6 Vallet Alicia A. . 7 Brutscher Bernhard B. . 8 Koorsen Gerrit G. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 249 _Page_last 254 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NGH1x no salt' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NGH1x no salt' $NGH1x_no_salt stop_ _System_molecular_weight 13101.1949 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NGH1x_no_salt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NGH1x_no_salt _Molecular_mass 13101.1949 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MSVELEEALPVTTAEGMAKK VTKAGGSAALSPSKKRKNSK KKNQPGKYSQLVVETIRRLG ERNGSSLAKIYTEAKKVPWF DQQNGRTYLKYSIKALVQND TLLQVKGTGANGSFKLNRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 VAL 4 GLU 5 LEU 6 GLU 7 GLU 8 ALA 9 LEU 10 PRO 11 VAL 12 THR 13 THR 14 ALA 15 GLU 16 GLY 17 MET 18 ALA 19 LYS 20 LYS 21 VAL 22 THR 23 LYS 24 ALA 25 GLY 26 GLY 27 SER 28 ALA 29 ALA 30 LEU 31 SER 32 PRO 33 SER 34 LYS 35 LYS 36 ARG 37 LYS 38 ASN 39 SER 40 LYS 41 LYS 42 LYS 43 ASN 44 GLN 45 PRO 46 GLY 47 LYS 48 TYR 49 SER 50 GLN 51 LEU 52 VAL 53 VAL 54 GLU 55 THR 56 ILE 57 ARG 58 ARG 59 LEU 60 GLY 61 GLU 62 ARG 63 ASN 64 GLY 65 SER 66 SER 67 LEU 68 ALA 69 LYS 70 ILE 71 TYR 72 THR 73 GLU 74 ALA 75 LYS 76 LYS 77 VAL 78 PRO 79 TRP 80 PHE 81 ASP 82 GLN 83 GLN 84 ASN 85 GLY 86 ARG 87 THR 88 TYR 89 LEU 90 LYS 91 TYR 92 SER 93 ILE 94 LYS 95 ALA 96 LEU 97 VAL 98 GLN 99 ASN 100 ASP 101 THR 102 LEU 103 LEU 104 GLN 105 VAL 106 LYS 107 GLY 108 THR 109 GLY 110 ALA 111 ASN 112 GLY 113 SER 114 PHE 115 LYS 116 LEU 117 ASN 118 ARG 119 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NGH1x_no_salt NGH1x . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $NGH1x_no_salt 'recombinant technology' 'Escherichia coli' Escherichia coli . Plasmid pET22b+ ; The coding sequence of the globular domain of human linker histone H1x (PDB: 2LSO; residues 44 - 123) was fused to the coding sequence of the N-terminal domain of human linker histone H1x (residues 1 - 43) in order to form the hybrid coding sequence NGH1x. Electrocompetent BL21(DE3) E. coli cells (Novagen, Merck) were transformed with the expression plasmid, pET22b(+)-NGH1x. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NGH1x_low_ionic_strength _Saveframe_category sample _Sample_type solution _Details 'NGH1x in 20 mM sodium phosphate buffer, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NGH1x_no_salt 0.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Spectral analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_950 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details 'Avance III HD' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $NGH1x_low_ionic_strength save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NGH1x_low_ionic_strength save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NGH1x_low_ionic_strength save_ save_HNCOCACB_(H[N[co[{CA|ca[C]}]]])_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $NGH1x_low_ionic_strength save_ save_HNCACO_(H[N[ca[CO]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACO (H[N[ca[CO]]])' _Sample_label $NGH1x_low_ionic_strength save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.000 . pH temperature 278.000 . K stop_ save_ save_CondSet4 _Saveframe_category sample_conditions _Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 278 . K stop_ save_ save_CondSet13 _Saveframe_category sample_conditions _Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 278 . K stop_ save_ save_CondSet14 _Saveframe_category sample_conditions _Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 278 . K stop_ save_ save_CondSet15 _Saveframe_category sample_conditions _Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 278 . K 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCO' '3D HNCACB' 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 'HNCACO (H[N[ca[CO]]])' stop_ loop_ _Sample_label $NGH1x_low_ionic_strength stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NGH1x no salt' _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 3 3 VAL C C 176.087 . 1 2 3 3 VAL CA C 62.525 . 1 3 3 3 VAL CB C 32.689 . 1 4 4 4 GLU H H 8.605 0.001 1 5 4 4 GLU C C 176.364 0.005 1 6 4 4 GLU CA C 56.507 0.001 1 7 4 4 GLU CB C 30.041 0.021 1 8 4 4 GLU N N 125.268 0.007 1 9 5 5 LEU H H 8.330 0.001 1 10 5 5 LEU C C 177.297 0.007 1 11 5 5 LEU CA C 55.074 0.014 1 12 5 5 LEU CB C 42.415 0.014 1 13 5 5 LEU N N 124.015 0.006 1 14 6 6 GLU H H 8.413 0.004 1 15 6 6 GLU C C 176.358 0.014 1 16 6 6 GLU CA C 56.444 0.042 1 17 6 6 GLU CB C 30.356 0.011 1 18 6 6 GLU N N 122.933 0.084 1 19 7 7 GLU H H 8.424 0.003 1 20 7 7 GLU C C 175.851 0.007 1 21 7 7 GLU CA C 56.237 . 1 22 7 7 GLU CB C 30.505 . 1 23 7 7 GLU N N 123.086 0.023 1 24 8 8 ALA H H 8.361 0.001 1 25 8 8 ALA C C 177.417 0.006 1 26 8 8 ALA CA C 52.063 0.007 1 27 8 8 ALA CB C 19.185 0.016 1 28 8 8 ALA N N 126.463 0.009 1 29 9 9 LEU H H 8.303 0.002 1 30 9 9 LEU C C 175.321 . 1 31 9 9 LEU CA C 53.001 . 1 32 9 9 LEU CB C 41.551 . 1 33 9 9 LEU N N 123.971 0.007 1 34 10 10 PRO C C 176.865 . 1 35 10 10 PRO CA C 62.873 . 1 36 10 10 PRO CB C 32.044 . 1 37 11 11 VAL H H 8.376 0.002 1 38 11 11 VAL C C 176.683 0.01 1 39 11 11 VAL CA C 62.308 0.0 1 40 11 11 VAL CB C 32.760 0.033 1 41 11 11 VAL N N 121.611 0.007 1 42 12 12 THR H H 8.346 0.001 1 43 12 12 THR C C 174.685 0.007 1 44 12 12 THR CA C 61.595 0.041 1 45 12 12 THR CB C 69.896 0.002 1 46 12 12 THR N N 118.877 0.032 1 47 13 13 THR H H 8.213 0.001 1 48 13 13 THR C C 174.560 0.004 1 49 13 13 THR CA C 61.628 . 1 50 13 13 THR CB C 70.076 . 1 51 13 13 THR N N 116.977 0.004 1 52 14 14 ALA H H 8.510 0.001 1 53 14 14 ALA C C 178.484 0.015 1 54 14 14 ALA CA C 53.221 0.001 1 55 14 14 ALA CB C 18.898 0.031 1 56 14 14 ALA N N 126.700 0.008 1 57 15 15 GLU H H 8.462 0.001 1 58 15 15 GLU C C 177.590 0.006 1 59 15 15 GLU CA C 57.425 0.004 1 60 15 15 GLU CB C 29.907 0.002 1 61 15 15 GLU N N 120.518 0.005 1 62 16 16 GLY H H 8.381 0.002 1 63 16 16 GLY C C 174.761 0.009 1 64 16 16 GLY CA C 45.561 0.003 1 65 16 16 GLY N N 110.146 0.008 1 66 17 17 MET H H 8.077 0.002 1 67 17 17 MET C C 176.464 0.009 1 68 17 17 MET CA C 55.648 0.003 1 69 17 17 MET CB C 32.667 0.003 1 70 17 17 MET N N 120.388 0.003 1 71 18 18 ALA H H 8.197 0.002 1 72 18 18 ALA C C 177.898 0.005 1 73 18 18 ALA CA C 52.797 0.031 1 74 18 18 ALA CB C 18.911 0.012 1 75 18 18 ALA N N 125.091 0.014 1 76 19 19 LYS H H 8.176 0.002 1 77 19 19 LYS N N 121.033 0.004 1 78 20 20 LYS H H 8.284 0.002 1 79 20 20 LYS C C 176.591 0.024 1 80 20 20 LYS N N 123.697 0.013 1 81 21 21 VAL H H 8.306 0.002 1 82 21 21 VAL C C 176.392 0.009 1 83 21 21 VAL CA C 62.277 0.053 1 84 21 21 VAL CB C 32.851 0.003 1 85 21 21 VAL N N 123.268 0.035 1 86 22 22 THR H H 8.387 0.001 1 87 22 22 THR C C 174.332 0.006 1 88 22 22 THR CA C 61.877 0.04 1 89 22 22 THR CB C 69.875 0.014 1 90 22 22 THR N N 120.505 0.007 1 91 23 23 LYS H H 8.467 0.001 1 92 23 23 LYS C C 176.237 0.007 1 93 23 23 LYS CA C 56.246 0.0 1 94 23 23 LYS CB C 33.086 0.005 1 95 23 23 LYS N N 125.475 0.008 1 96 24 24 ALA H H 8.487 0.002 1 97 24 24 ALA C C 178.292 0.006 1 98 24 24 ALA CA C 52.624 0.009 1 99 24 24 ALA CB C 19.121 0.01 1 100 24 24 ALA N N 126.803 0.009 1 101 25 25 GLY H H 8.484 0.001 1 102 25 25 GLY C C 174.796 0.006 1 103 25 25 GLY CA C 45.206 0.002 1 104 25 25 GLY N N 109.461 0.007 1 105 26 26 GLY H H 8.312 0.001 1 106 26 26 GLY C C 174.351 0.011 1 107 26 26 GLY CA C 45.114 0.028 1 108 26 26 GLY N N 109.368 0.005 1 109 27 27 SER H H 8.364 0.001 1 110 27 27 SER C C 174.580 0.011 1 111 27 27 SER CA C 58.385 0.002 1 112 27 27 SER CB C 63.780 0.003 1 113 27 27 SER N N 116.451 0.004 1 114 28 28 ALA H H 8.417 0.001 1 115 28 28 ALA C C 177.555 0.007 1 116 28 28 ALA CA C 52.559 0.006 1 117 28 28 ALA CB C 19.037 0.012 1 118 28 28 ALA N N 126.792 0.008 1 119 29 29 ALA H H 8.191 0.001 1 120 29 29 ALA C C 177.600 0.025 1 121 29 29 ALA CA C 52.113 0.025 1 122 29 29 ALA CB C 19.087 0.095 1 123 29 29 ALA N N 123.612 0.008 1 124 30 30 LEU H H 8.188 0.002 1 125 30 30 LEU C C 176.560 0.005 1 126 30 30 LEU CA C 55.029 0.017 1 127 30 30 LEU CB C 42.395 0.018 1 128 30 30 LEU N N 122.317 0.122 1 129 31 31 SER H H 8.040 0.002 1 130 31 31 SER C C 172.751 . 1 131 31 31 SER CA C 55.214 . 1 132 31 31 SER CB C 64.314 . 1 133 31 31 SER N N 117.064 0.008 1 134 33 33 SER H H 8.421 0.003 1 135 33 33 SER C C 174.936 0.01 1 136 33 33 SER CA C 58.583 0.004 1 137 33 33 SER CB C 63.624 0.073 1 138 33 33 SER N N 116.568 0.007 1 139 34 34 LYS H H 8.385 0.002 1 140 34 34 LYS C C 176.683 0.043 1 141 34 34 LYS CA C 56.421 0.04 1 142 34 34 LYS N N 124.443 0.018 1 143 36 36 ARG H H 8.429 0.002 1 144 36 36 ARG C C 176.491 0.005 1 145 36 36 ARG CA C 56.038 0.09 1 146 36 36 ARG CB C 30.828 0.008 1 147 36 36 ARG N N 123.775 0.018 1 148 37 37 LYS H H 8.522 0.002 1 149 37 37 LYS C C 176.477 0.002 1 150 37 37 LYS CA C 56.639 0.061 1 151 37 37 LYS CB C 32.950 0.06 1 152 37 37 LYS N N 124.071 0.006 1 153 38 38 ASN H H 8.625 0.002 1 154 38 38 ASN C C 175.374 0.006 1 155 38 38 ASN CA C 53.154 0.005 1 156 38 38 ASN CB C 38.830 0.011 1 157 38 38 ASN N N 121.083 0.006 1 158 39 39 SER H H 8.405 0.002 1 159 39 39 SER C C 174.608 0.006 1 160 39 39 SER CA C 58.548 0.01 1 161 39 39 SER CB C 63.764 0.005 1 162 39 39 SER N N 117.744 0.008 1 163 40 40 LYS H H 8.428 0.001 1 164 40 40 LYS C C 176.742 . 1 165 40 40 LYS CA C 56.407 . 1 166 40 40 LYS CB C 32.857 . 1 167 40 40 LYS N N 123.861 0.143 1 168 41 41 LYS H H 8.316 0.015 1 169 41 41 LYS C C 176.676 0.021 1 170 41 41 LYS CA C 56.342 0.029 1 171 41 41 LYS CB C 32.925 0.021 1 172 41 41 LYS N N 123.360 0.113 1 173 42 42 LYS H H 8.438 0.006 1 174 42 42 LYS C C 176.300 0.008 1 175 42 42 LYS CA C 56.312 0.032 1 176 42 42 LYS CB C 33.015 0.057 1 177 42 42 LYS N N 123.575 0.105 1 178 43 43 ASN H H 8.505 0.006 1 179 43 43 ASN C C 174.691 0.004 1 180 43 43 ASN CA C 53.096 0.008 1 181 43 43 ASN CB C 38.682 0.002 1 182 43 43 ASN N N 120.484 0.076 1 183 44 44 GLN H H 8.311 0.006 1 184 44 44 GLN C C 173.749 . 1 185 44 44 GLN CA C 54.098 . 1 186 44 44 GLN CB C 28.738 . 1 187 44 44 GLN N N 121.947 0.023 1 188 46 46 GLY H H 8.456 0.024 1 189 46 46 GLY CA C 45.873 . 1 190 46 46 GLY N N 109.689 0.173 1 191 47 47 LYS H H 8.196 0.015 1 192 47 47 LYS N N 121.855 0.187 1 193 49 49 SER H H 8.228 0.002 1 194 49 49 SER CA C 62.460 0.037 1 195 49 49 SER N N 118.394 0.01 1 196 50 50 GLN H H 7.903 0.015 1 197 50 50 GLN C C 177.768 0.015 1 198 50 50 GLN CA C 58.758 0.013 1 199 50 50 GLN CB C 28.030 0.037 1 200 50 50 GLN N N 121.116 0.063 1 201 51 51 LEU H H 7.742 0.003 1 202 51 51 LEU C C 180.491 0.001 1 203 51 51 LEU CA C 57.639 0.029 1 204 51 51 LEU CB C 41.924 0.005 1 205 51 51 LEU N N 120.434 0.009 1 206 52 52 VAL H H 8.362 0.017 1 207 52 52 VAL C C 176.802 . 1 208 52 52 VAL CA C 68.585 0.006 1 209 52 52 VAL CB C 31.424 0.005 1 210 52 52 VAL N N 123.744 0.113 1 211 53 53 VAL H H 7.569 0.003 1 212 53 53 VAL C C 177.659 0.012 1 213 53 53 VAL CA C 67.884 0.029 1 214 53 53 VAL CB C 32.015 0.015 1 215 53 53 VAL N N 118.911 0.006 1 216 54 54 GLU H H 8.579 0.002 1 217 54 54 GLU C C 179.586 0.01 1 218 54 54 GLU CA C 58.827 0.008 1 219 54 54 GLU CB C 29.382 0.01 1 220 54 54 GLU N N 117.646 0.01 1 221 55 55 THR H H 8.331 0.003 1 222 55 55 THR N N 117.426 0.015 1 223 56 56 ILE C C 179.535 . 1 224 56 56 ILE CA C 67.061 . 1 225 56 56 ILE CB C 38.465 . 1 226 57 57 ARG H H 8.444 0.006 1 227 57 57 ARG C C 178.587 0.007 1 228 57 57 ARG CA C 59.585 0.038 1 229 57 57 ARG CB C 30.378 0.029 1 230 57 57 ARG N N 120.985 0.023 1 231 58 58 ARG H H 8.201 0.004 1 232 58 58 ARG C C 178.860 0.006 1 233 58 58 ARG CA C 59.070 0.026 1 234 58 58 ARG CB C 30.178 0.018 1 235 58 58 ARG N N 119.560 0.012 1 236 59 59 LEU H H 8.155 0.005 1 237 59 59 LEU C C 179.472 0.007 1 238 59 59 LEU CA C 57.217 0.014 1 239 59 59 LEU CB C 42.243 0.017 1 240 59 59 LEU N N 118.907 0.008 1 241 60 60 GLY H H 7.489 0.002 1 242 60 60 GLY C C 175.095 0.01 1 243 60 60 GLY CA C 47.603 0.007 1 244 60 60 GLY N N 105.025 0.007 1 245 61 61 GLU H H 8.648 0.002 1 246 61 61 GLU C C 179.271 0.007 1 247 61 61 GLU CA C 57.791 0.008 1 248 61 61 GLU N N 119.124 0.006 1 249 62 62 ARG H H 9.244 0.003 1 250 62 62 ARG C C 177.107 0.017 1 251 62 62 ARG CA C 59.510 0.035 1 252 62 62 ARG CB C 30.129 0.033 1 253 62 62 ARG N N 128.488 0.007 1 254 63 63 ASN H H 8.699 0.003 1 255 63 63 ASN C C 174.844 0.009 1 256 63 63 ASN CA C 51.810 0.034 1 257 63 63 ASN CB C 38.460 0.019 1 258 63 63 ASN N N 115.008 0.008 1 259 64 64 GLY H H 7.023 0.003 1 260 64 64 GLY C C 171.974 0.01 1 261 64 64 GLY CA C 44.806 0.007 1 262 64 64 GLY N N 104.616 0.01 1 263 65 65 SER H H 8.623 0.002 1 264 65 65 SER C C 173.650 0.024 1 265 65 65 SER CA C 57.242 0.006 1 266 65 65 SER CB C 66.772 0.03 1 267 65 65 SER N N 113.504 0.005 1 268 66 66 SER H H 8.775 0.003 1 269 66 66 SER C C 174.559 0.005 1 270 66 66 SER CA C 56.787 0.029 1 271 66 66 SER CB C 65.472 0.04 1 272 66 66 SER N N 121.927 0.007 1 273 67 67 LEU H H 9.391 0.003 1 274 67 67 LEU C C 177.734 0.007 1 275 67 67 LEU CA C 58.924 0.007 1 276 67 67 LEU CB C 40.633 0.003 1 277 67 67 LEU N N 121.669 0.009 1 278 68 68 ALA H H 8.587 0.003 1 279 68 68 ALA C C 180.259 0.011 1 280 68 68 ALA CA C 55.814 0.007 1 281 68 68 ALA CB C 18.193 0.025 1 282 68 68 ALA N N 120.176 0.006 1 283 69 69 LYS H H 7.870 0.002 1 284 69 69 LYS C C 179.148 0.003 1 285 69 69 LYS CA C 58.673 0.007 1 286 69 69 LYS CB C 32.658 0.014 1 287 69 69 LYS N N 120.635 0.007 1 288 70 70 ILE H H 8.531 0.004 1 289 70 70 ILE C C 177.423 0.002 1 290 70 70 ILE CA C 65.375 0.023 1 291 70 70 ILE CB C 38.853 0.033 1 292 70 70 ILE N N 120.331 0.071 1 293 71 71 TYR H H 9.315 0.002 1 294 71 71 TYR C C 175.450 0.014 1 295 71 71 TYR CA C 60.726 0.036 1 296 71 71 TYR CB C 38.070 0.026 1 297 71 71 TYR N N 120.229 0.006 1 298 72 72 THR H H 7.936 0.002 1 299 72 72 THR C C 175.274 0.016 1 300 72 72 THR CA C 67.134 0.008 1 301 72 72 THR CB C 68.692 0.016 1 302 72 72 THR N N 114.430 0.008 1 303 73 73 GLU H H 7.236 0.003 1 304 73 73 GLU C C 178.729 0.004 1 305 73 73 GLU CA C 57.289 0.005 1 306 73 73 GLU CB C 30.035 0.016 1 307 73 73 GLU N N 117.750 0.009 1 308 74 74 ALA H H 9.037 0.002 1 309 74 74 ALA C C 177.239 0.008 1 310 74 74 ALA CA C 54.808 0.008 1 311 74 74 ALA CB C 18.712 0.012 1 312 74 74 ALA N N 125.163 0.009 1 313 75 75 LYS H H 7.305 0.002 1 314 75 75 LYS C C 176.019 0.006 1 315 75 75 LYS CA C 56.658 0.042 1 316 75 75 LYS CB C 30.789 . 1 317 75 75 LYS N N 111.411 0.01 1 318 76 76 LYS H H 6.736 0.005 1 319 76 76 LYS C C 177.684 0.026 1 320 76 76 LYS CA C 56.934 . 1 321 76 76 LYS CB C 33.375 0.049 1 322 76 76 LYS N N 117.569 0.008 1 323 77 77 VAL H H 7.365 0.002 1 324 77 77 VAL C C 177.183 . 1 325 77 77 VAL CA C 60.474 . 1 326 77 77 VAL CB C 31.249 . 1 327 77 77 VAL N N 120.673 0.007 1 328 79 79 TRP C C 176.119 . 1 329 79 79 TRP CA C 53.515 . 1 330 79 79 TRP CB C 29.021 . 1 331 80 80 PHE H H 7.178 0.003 1 332 80 80 PHE C C 175.015 0.005 1 333 80 80 PHE CA C 60.410 0.0 1 334 80 80 PHE CB C 39.976 0.094 1 335 80 80 PHE N N 125.080 0.006 1 336 81 81 ASP H H 7.086 0.003 1 337 81 81 ASP C C 175.737 0.01 1 338 81 81 ASP CA C 53.293 0.018 1 339 81 81 ASP CB C 41.099 0.007 1 340 81 81 ASP N N 127.530 0.006 1 341 82 82 GLN H H 9.151 0.002 1 342 82 82 GLN C C 178.358 0.002 1 343 82 82 GLN CA C 58.019 0.004 1 344 82 82 GLN CB C 27.380 0.015 1 345 82 82 GLN N N 126.008 0.012 1 346 83 83 GLN H H 8.278 0.009 1 347 83 83 GLN C C 176.988 0.016 1 348 83 83 GLN CA C 58.223 0.016 1 349 83 83 GLN CB C 29.394 . 1 350 83 83 GLN N N 118.879 0.086 1 351 84 84 ASN H H 8.000 0.003 1 352 84 84 ASN C C 174.855 0.011 1 353 84 84 ASN CA C 52.754 0.027 1 354 84 84 ASN CB C 41.387 0.001 1 355 84 84 ASN N N 115.675 0.009 1 356 85 85 GLY H H 8.075 0.002 1 357 85 85 GLY C C 175.140 0.007 1 358 85 85 GLY CA C 48.145 0.003 1 359 85 85 GLY N N 110.000 0.008 1 360 86 86 ARG H H 8.975 0.002 1 361 86 86 ARG C C 178.026 0.006 1 362 86 86 ARG CA C 61.024 0.012 1 363 86 86 ARG CB C 29.182 0.031 1 364 86 86 ARG N N 122.461 0.013 1 365 87 87 THR H H 7.424 0.002 1 366 87 87 THR C C 176.084 0.011 1 367 87 87 THR CA C 66.614 0.026 1 368 87 87 THR CB C 67.877 0.031 1 369 87 87 THR N N 117.246 0.005 1 370 88 88 TYR H H 7.432 0.002 1 371 88 88 TYR C C 180.429 0.017 1 372 88 88 TYR CA C 57.842 0.015 1 373 88 88 TYR CB C 34.887 0.03 1 374 88 88 TYR N N 121.351 0.008 1 375 89 89 LEU H H 8.811 0.002 1 376 89 89 LEU C C 178.091 0.001 1 377 89 89 LEU CA C 58.272 0.045 1 378 89 89 LEU CB C 42.189 0.011 1 379 89 89 LEU N N 121.369 0.009 1 380 90 90 LYS H H 8.039 0.015 1 381 90 90 LYS C C 179.232 0.007 1 382 90 90 LYS CA C 60.850 0.011 1 383 90 90 LYS CB C 32.182 0.04 1 384 90 90 LYS N N 120.080 0.104 1 385 91 91 TYR H H 8.249 0.006 1 386 91 91 TYR C C 179.246 . 1 387 91 91 TYR CA C 60.494 0.047 1 388 91 91 TYR CB C 37.374 0.011 1 389 91 91 TYR N N 119.102 0.048 1 390 92 92 SER H H 8.286 0.004 1 391 92 92 SER C C 175.648 . 1 392 92 92 SER N N 118.674 0.128 1 393 93 93 ILE H H 8.543 0.002 1 394 93 93 ILE C C 176.621 0.02 1 395 93 93 ILE CA C 66.330 0.013 1 396 93 93 ILE CB C 37.781 0.011 1 397 93 93 ILE N N 122.179 0.014 1 398 94 94 LYS H H 7.471 0.003 1 399 94 94 LYS C C 179.333 0.009 1 400 94 94 LYS CA C 60.025 0.006 1 401 94 94 LYS CB C 32.162 0.006 1 402 94 94 LYS N N 117.839 0.006 1 403 95 95 ALA H H 7.610 0.002 1 404 95 95 ALA C C 180.248 0.01 1 405 95 95 ALA CA C 55.043 0.011 1 406 95 95 ALA CB C 18.087 0.023 1 407 95 95 ALA N N 122.078 0.007 1 408 96 96 LEU H H 8.329 0.005 1 409 96 96 LEU C C 179.957 0.002 1 410 96 96 LEU CA C 56.074 0.002 1 411 96 96 LEU CB C 42.556 0.037 1 412 96 96 LEU N N 120.182 0.03 1 413 97 97 VAL H H 8.455 0.015 1 414 97 97 VAL C C 180.631 0.003 1 415 97 97 VAL CA C 65.224 0.018 1 416 97 97 VAL CB C 32.219 0.007 1 417 97 97 VAL N N 123.078 0.011 1 418 98 98 GLN H H 7.962 0.012 1 419 98 98 GLN C C 177.079 . 1 420 98 98 GLN CA C 58.891 0.032 1 421 98 98 GLN CB C 28.249 0.006 1 422 98 98 GLN N N 121.014 0.016 1 423 99 99 ASN H H 7.680 0.004 1 424 99 99 ASN C C 175.256 0.009 1 425 99 99 ASN CA C 51.481 0.039 1 426 99 99 ASN CB C 37.627 0.021 1 427 99 99 ASN N N 114.287 0.128 1 428 100 100 ASP H H 7.809 0.003 1 429 100 100 ASP C C 175.796 0.009 1 430 100 100 ASP CA C 56.328 0.018 1 431 100 100 ASP CB C 39.840 0.0 1 432 100 100 ASP N N 113.505 0.008 1 433 101 101 THR H H 8.807 0.002 1 434 101 101 THR C C 175.466 0.013 1 435 101 101 THR CA C 67.058 0.004 1 436 101 101 THR CB C 68.180 0.009 1 437 101 101 THR N N 119.040 0.009 1 438 102 102 LEU H H 7.724 0.003 1 439 102 102 LEU C C 174.905 0.007 1 440 102 102 LEU CA C 51.927 0.007 1 441 102 102 LEU CB C 45.604 0.031 1 442 102 102 LEU N N 119.956 0.009 1 443 103 103 LEU H H 9.100 0.002 1 444 103 103 LEU C C 175.620 0.001 1 445 103 103 LEU CA C 53.343 0.024 1 446 103 103 LEU CB C 44.540 0.037 1 447 103 103 LEU N N 119.847 0.008 1 448 104 104 GLN H H 8.986 0.002 1 449 104 104 GLN C C 175.252 0.004 1 450 104 104 GLN CA C 54.983 0.019 1 451 104 104 GLN CB C 29.306 0.035 1 452 104 104 GLN N N 125.025 0.027 1 453 105 105 VAL H H 8.571 0.009 1 454 105 105 VAL C C 175.633 . 1 455 105 105 VAL CA C 61.871 . 1 456 105 105 VAL CB C 32.836 . 1 457 105 105 VAL N N 127.681 0.027 1 458 106 106 LYS C C 176.455 . 1 459 106 106 LYS CA C 57.455 . 1 460 106 106 LYS CB C 31.429 1.545 1 461 107 107 GLY H H 8.378 0.007 1 462 107 107 GLY C C 173.390 0.013 1 463 107 107 GLY CA C 44.887 0.032 1 464 107 107 GLY N N 110.187 0.08 1 465 108 108 THR H H 8.042 0.002 1 466 108 108 THR C C 175.255 0.008 1 467 108 108 THR CA C 61.313 0.015 1 468 108 108 THR CB C 70.135 0.014 1 469 108 108 THR N N 111.907 0.009 1 470 109 109 GLY H H 8.677 0.002 1 471 109 109 GLY C C 174.625 0.005 1 472 109 109 GLY CA C 45.692 0.003 1 473 109 109 GLY N N 112.665 0.007 1 474 110 110 ALA H H 8.800 0.007 1 475 110 110 ALA C C 177.682 0.007 1 476 110 110 ALA CA C 53.099 0.006 1 477 110 110 ALA CB C 19.027 0.02 1 478 110 110 ALA N N 126.109 0.054 1 479 111 111 ASN H H 8.124 0.002 1 480 111 111 ASN C C 174.739 0.008 1 481 111 111 ASN CA C 52.854 0.018 1 482 111 111 ASN CB C 39.446 0.016 1 483 111 111 ASN N N 116.337 0.007 1 484 112 112 GLY H H 8.211 0.003 1 485 112 112 GLY C C 172.793 0.009 1 486 112 112 GLY CA C 44.814 0.017 1 487 112 112 GLY N N 108.080 0.011 1 488 113 113 SER H H 7.749 0.003 1 489 113 113 SER C C 172.300 0.01 1 490 113 113 SER CA C 56.752 0.007 1 491 113 113 SER CB C 65.157 0.006 1 492 113 113 SER N N 114.500 0.004 1 493 114 114 PHE H H 8.410 0.003 1 494 114 114 PHE C C 174.086 . 1 495 114 114 PHE CA C 57.624 0.019 1 496 114 114 PHE CB C 42.954 0.027 1 497 114 114 PHE N N 120.009 0.021 1 498 115 115 LYS H H 8.834 0.002 1 499 115 115 LYS C C 175.626 0.008 1 500 115 115 LYS CA C 53.409 0.009 1 501 115 115 LYS CB C 37.422 0.014 1 502 115 115 LYS N N 119.997 0.009 1 503 116 116 LEU H H 9.085 0.002 1 504 116 116 LEU C C 177.173 0.011 1 505 116 116 LEU CA C 56.131 . 1 506 116 116 LEU CB C 41.416 . 1 507 116 116 LEU N N 122.305 0.009 1 508 117 117 ASN H H 8.188 0.003 1 509 117 117 ASN C C 174.778 0.006 1 510 117 117 ASN CA C 54.751 . 1 511 117 117 ASN N N 121.954 0.009 1 512 118 118 ARG H H 8.094 0.002 1 513 118 118 ARG C C 174.792 0.008 1 514 118 118 ARG CA C 55.630 0.006 1 515 118 118 ARG CB C 30.997 0.006 1 516 118 118 ARG N N 123.841 0.009 1 517 119 119 LYS H H 8.078 0.002 1 518 119 119 LYS C C 181.479 . 1 519 119 119 LYS CA C 57.825 . 1 520 119 119 LYS CB C 33.457 . 1 521 119 119 LYS N N 128.919 0.003 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $NGH1x_low_ionic_strength _Sample_conditions_label $CondSet1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 27700 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CondSet1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 5180.54496951 . . . . . . . 27700 1 >> 2 . . N 15 15N . . 3467.40638003 . . . . . . . 27700 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27700 1 >> 2 1.0 . . 27700 1 >> 3 1.0 . . 27700 1 >> 4 1.0 . . 27700 1 >> 5 1.0 . . 27700 1 >> 6 1.0 . . 27700 1 >> 7 1.0 . . 27700 1 >> 8 1.0 . . 27700 1 >> 9 1.0 . . 27700 1 >> 10 1.0 . . 27700 1 >> 11 1.0 . . 27700 1 >> 12 1.0 . . 27700 1 >> 13 1.0 . . 27700 1 >> 14 1.0 . . 27700 1 >> 15 1.0 . . 27700 1 >> 16 1.0 . . 27700 1 >> 17 1.0 . . 27700 1 >> 18 1.0 . . 27700 1 >> 19 1.0 . . 27700 1 >> 20 1.0 . . 27700 1 >> 21 1.0 . . 27700 1 >> 22 1.0 . . 27700 1 >> 23 1.0 . . 27700 1 >> 24 1.0 . . 27700 1 >> 25 1.0 . . 27700 1 >> 26 1.0 . . 27700 1 >> 27 1.0 . . 27700 1 >> 28 1.0 . . 27700 1 >> 29 1.0 . . 27700 1 >> 30 1.0 . . 27700 1 >> 31 1.0 . . 27700 1 >> 32 1.0 . . 27700 1 >> 33 1.0 . . 27700 1 >> 34 1.0 . . 27700 1 >> 35 1.0 . . 27700 1 >> 36 1.0 . . 27700 1 >> 37 1.0 . . 27700 1 >> 38 1.0 . . 27700 1 >> 39 1.0 . . 27700 1 >> 40 1.0 . . 27700 1 >> 41 1.0 . . 27700 1 >> 42 1.0 . . 27700 1 >> 43 1.0 . . 27700 1 >> 44 1.0 . . 27700 1 >> 45 1.0 . . 27700 1 >> 46 1.0 . . 27700 1 >> 47 1.0 . . 27700 1 >> 48 1.0 . . 27700 1 >> 49 1.0 . . 27700 1 >> 50 1.0 . . 27700 1 >> 51 1.0 . . 27700 1 >> 52 1.0 . . 27700 1 >> 53 1.0 . . 27700 1 >> 54 1.0 . . 27700 1 >> 55 1.0 . . 27700 1 >> 56 1.0 . . 27700 1 >> 57 1.0 . . 27700 1 >> 58 1.0 . . 27700 1 >> 59 1.0 . . 27700 1 >> 60 1.0 . . 27700 1 >> 61 1.0 . . 27700 1 >> 62 1.0 . . 27700 1 >> 63 1.0 . . 27700 1 >> 64 1.0 . . 27700 1 >> 65 1.0 . . 27700 1 >> 66 1.0 . . 27700 1 >> 67 1.0 . . 27700 1 >> 68 1.0 . . 27700 1 >> 69 1.0 . . 27700 1 >> 70 1.0 . . 27700 1 >> 71 1.0 . . 27700 1 >> 72 1.0 . . 27700 1 >> 73 1.0 . . 27700 1 >> 74 1.0 . . 27700 1 >> 75 1.0 . . 27700 1 >> 76 1.0 . . 27700 1 >> 77 1.0 . . 27700 1 >> 78 1.0 . . 27700 1 >> 79 1.0 . . 27700 1 >> 80 1.0 . . 27700 1 >> 81 1.0 . . 27700 1 >> 82 1.0 . . 27700 1 >> 83 1.0 . . 27700 1 >> 84 1.0 . . 27700 1 >> 85 1.0 . . 27700 1 >> 86 1.0 . . 27700 1 >> 87 1.0 . . 27700 1 >> 88 1.0 . . 27700 1 >> 89 1.0 . . 27700 1 >> 90 1.0 . . 27700 1 >> 91 1.0 . . 27700 1 >> 92 1.0 . . 27700 1 >> 93 1.0 . . 27700 1 >> 94 1.0 . . 27700 1 >> 95 1.0 . . 27700 1 >> 96 1.0 . . 27700 1 >> 97 1.0 . . 27700 1 >> 98 1.0 . . 27700 1 >> 99 1.0 . . 27700 1 >> 100 1.0 . . 27700 1 >> 101 1.0 . . 27700 1 >> 102 1.0 . . 27700 1 >> 103 1.0 . . 27700 1 >> 104 1.0 . . 27700 1 >> 105 1.0 . . 27700 1 >> 106 1.0 . . 27700 1 >> 107 1.0 . . 27700 1 >> 108 1.0 . . 27700 1 >> 109 1.0 . . 27700 1 >> 110 1.0 . . 27700 1 >> 111 1.0 . . 27700 1 >> 112 1.0 . . 27700 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 298116.0625000 . height 27700 1 >> 1 1721960.5703100 . volume 27700 1 >> 2 42269.7031250 . height 27700 1 >> 2 281201.0625000 . volume 27700 1 >> 3 56037.1406250 . height 27700 1 >> 3 342890.4609380 . volume 27700 1 >> 4 41924.1171875 . height 27700 1 >> 4 260853.3750000 . volume 27700 1 >> 5 27841.6093750 . height 27700 1 >> 5 201113.4062500 . volume 27700 1 >> 6 373966.9687500 . height 27700 1 >> 6 2288502.3828100 . volume 27700 1 >> 7 354784.8125000 . height 27700 1 >> 7 2052893.3437500 . volume 27700 1 >> 8 352265.3437500 . height 27700 1 >> 8 2084759.9687500 . volume 27700 1 >> 9 243026.8125000 . height 27700 1 >> 9 1441998.6250000 . volume 27700 1 >> 10 67995.3906250 . height 27700 1 >> 10 429360.5781250 . volume 27700 1 >> 11 46252.8593750 . height 27700 1 >> 11 294314.0156250 . volume 27700 1 >> 12 321522.7500000 . height 27700 1 >> 12 1909994.2578100 . volume 27700 1 >> 13 342497.5625000 . height 27700 1 >> 13 1980346.8281200 . volume 27700 1 >> 14 81097.2421875 . height 27700 1 >> 14 498654.3671880 . volume 27700 1 >> 15 356943.8125000 . height 27700 1 >> 15 2049266.2656200 . volume 27700 1 >> 16 66184.8203125 . height 27700 1 >> 16 384575.5859380 . volume 27700 1 >> 17 100101.1953120 . height 27700 1 >> 17 590909.0468750 . volume 27700 1 >> 18 244365.3281250 . height 27700 1 >> 18 1432440.6718800 . volume 27700 1 >> 19 204006.6562500 . height 27700 1 >> 19 1172269.9375000 . volume 27700 1 >> 20 221454.8906250 . height 27700 1 >> 20 1398300.0156200 . volume 27700 1 >> 21 290271.6250000 . height 27700 1 >> 21 1689127.5937500 . volume 27700 1 >> 22 291530.0312500 . height 27700 1 >> 22 1842643.1406200 . volume 27700 1 >> 23 246909.8281250 . height 27700 1 >> 23 1419345.2031200 . volume 27700 1 >> 24 231652.5625000 . height 27700 1 >> 24 1347815.3125000 . volume 27700 1 >> 25 63996.8515625 . height 27700 1 >> 25 439391.5781250 . volume 27700 1 >> 26 344683.3125000 . height 27700 1 >> 26 2008713.7578100 . volume 27700 1 >> 27 403483.8437500 . height 27700 1 >> 27 2423883.0625000 . volume 27700 1 >> 28 198852.5781250 . height 27700 1 >> 28 1186696.5234400 . volume 27700 1 >> 29 203253.5312500 . height 27700 1 >> 29 1391266.7031200 . volume 27700 1 >> 30 549956.5000000 . height 27700 1 >> 30 3434580.3281200 . volume 27700 1 >> 31 274196.5625000 . height 27700 1 >> 31 1649665.7812500 . volume 27700 1 >> 32 66227.1093750 . height 27700 1 >> 32 445564.9218750 . volume 27700 1 >> 33 290362.0000000 . height 27700 1 >> 33 1686592.2500000 . volume 27700 1 >> 34 81967.5781250 . height 27700 1 >> 34 493544.7187500 . volume 27700 1 >> 35 95412.9453125 . height 27700 1 >> 35 594556.7031250 . volume 27700 1 >> 36 61467.9453125 . height 27700 1 >> 36 389417.7500000 . volume 27700 1 >> 37 97421.7890625 . height 27700 1 >> 37 588477.2421880 . volume 27700 1 >> 38 74484.9296875 . height 27700 1 >> 38 447707.4531250 . volume 27700 1 >> 39 140776.6250000 . height 27700 1 >> 39 913677.1640620 . volume 27700 1 >> 40 352086.7500000 . height 27700 1 >> 40 2131069.4296900 . volume 27700 1 >> 41 54981.4296875 . height 27700 1 >> 41 348266.3359380 . volume 27700 1 >> 42 266171.0312500 . height 27700 1 >> 42 1566553.7500000 . volume 27700 1 >> 43 53217.8437500 . height 27700 1 >> 43 343481.9453120 . volume 27700 1 >> 44 56867.1562500 . height 27700 1 >> 44 348881.2968750 . volume 27700 1 >> 45 71560.3515625 . height 27700 1 >> 45 433461.0937500 . volume 27700 1 >> 46 63368.6406250 . height 27700 1 >> 46 392756.9296880 . volume 27700 1 >> 47 134326.0937500 . height 27700 1 >> 47 834002.1015620 . volume 27700 1 >> 48 75524.8671875 . height 27700 1 >> 48 494372.0390620 . volume 27700 1 >> 49 371256.0312500 . height 27700 1 >> 49 2108754.9062500 . volume 27700 1 >> 50 80196.7734375 . height 27700 1 >> 50 479311.0625000 . volume 27700 1 >> 51 86177.6875000 . height 27700 1 >> 51 529208.0000000 . volume 27700 1 >> 52 100450.4453120 . height 27700 1 >> 52 605300.0546880 . volume 27700 1 >> 53 344018.3750000 . height 27700 1 >> 53 1905580.3515600 . volume 27700 1 >> 54 350356.2500000 . height 27700 1 >> 54 2000961.7812500 . volume 27700 1 >> 55 117067.2343750 . height 27700 1 >> 55 800256.0390620 . volume 27700 1 >> 56 63977.1562500 . height 27700 1 >> 56 392619.9453120 . volume 27700 1 >> 57 357914.6875000 . height 27700 1 >> 57 1993479.6484400 . volume 27700 1 >> 58 60405.7031250 . height 27700 1 >> 58 363595.8828120 . volume 27700 1 >> 59 79109.1250000 . height 27700 1 >> 59 529444.6640620 . volume 27700 1 >> 60 108267.3671880 . height 27700 1 >> 60 671304.9453120 . volume 27700 1 >> 61 61724.5937500 . height 27700 1 >> 61 425575.6093750 . volume 27700 1 >> 62 70045.5468750 . height 27700 1 >> 62 432220.4609380 . volume 27700 1 >> 63 73536.6953125 . height 27700 1 >> 63 460349.1953120 . volume 27700 1 >> 64 41860.0000000 . height 27700 1 >> 64 291368.6562500 . volume 27700 1 >> 65 71681.1328125 . height 27700 1 >> 65 452506.8437500 . volume 27700 1 >> 66 67548.0546875 . height 27700 1 >> 66 435035.7421880 . volume 27700 1 >> 67 84582.3203125 . height 27700 1 >> 67 528399.9062500 . volume 27700 1 >> 68 81461.6250000 . height 27700 1 >> 68 510357.9140620 . volume 27700 1 >> 69 68193.9218750 . height 27700 1 >> 69 454563.8281250 . volume 27700 1 >> 70 78195.6953125 . height 27700 1 >> 70 463451.1171880 . volume 27700 1 >> 71 525738.0000000 . height 27700 1 >> 71 3268802.6250000 . volume 27700 1 >> 72 74153.2109375 . height 27700 1 >> 72 474806.4687500 . volume 27700 1 >> 73 72470.0546875 . height 27700 1 >> 73 434444.4531250 . volume 27700 1 >> 74 86359.2421875 . height 27700 1 >> 74 544905.3281250 . volume 27700 1 >> 75 73147.1093750 . height 27700 1 >> 75 499510.2031250 . volume 27700 1 >> 76 73959.9062500 . height 27700 1 >> 76 475361.0937500 . volume 27700 1 >> 77 102538.3437500 . height 27700 1 >> 77 598391.6718750 . volume 27700 1 >> 78 97609.7500000 . height 27700 1 >> 78 647948.7890620 . volume 27700 1 >> 79 71216.5546875 . height 27700 1 >> 79 441414.9921880 . volume 27700 1 >> 80 85249.3515625 . height 27700 1 >> 80 522165.3046880 . volume 27700 1 >> 81 56448.9609375 . height 27700 1 >> 81 379520.0390620 . volume 27700 1 >> 82 83006.3593750 . height 27700 1 >> 82 514465.2812500 . volume 27700 1 >> 83 347496.4062500 . height 27700 1 >> 83 2071063.6015600 . volume 27700 1 >> 84 264193.7812500 . height 27700 1 >> 84 1517277.4531200 . volume 27700 1 >> 85 310650.3750000 . height 27700 1 >> 85 1805110.9296900 . volume 27700 1 >> 86 151996.5312500 . height 27700 1 >> 86 923803.9062500 . volume 27700 1 >> 87 46795.4765625 . height 27700 1 >> 87 292106.8828120 . volume 27700 1 >> 88 58329.6640625 . height 27700 1 >> 88 377153.0468750 . volume 27700 1 >> 89 74107.8828125 . height 27700 1 >> 89 471262.0546880 . volume 27700 1 >> 90 76498.6250000 . height 27700 1 >> 90 486291.7890620 . volume 27700 1 >> 91 104832.2812500 . height 27700 1 >> 91 663874.3125000 . volume 27700 1 >> 92 61197.1953125 . height 27700 1 >> 92 388127.5312500 . volume 27700 1 >> 93 71323.4921875 . height 27700 1 >> 93 453178.5468750 . volume 27700 1 >> 94 49856.1328125 . height 27700 1 >> 94 292413.5625000 . volume 27700 1 >> 95 126183.5703120 . height 27700 1 >> 95 798765.5234380 . volume 27700 1 >> 96 96430.5000000 . height 27700 1 >> 96 624006.5781250 . volume 27700 1 >> 97 80902.5156250 . height 27700 1 >> 97 518098.3593750 . volume 27700 1 >> 98 301346.2500000 . height 27700 1 >> 98 1806402.3593800 . volume 27700 1 >> 99 42265.7734375 . height 27700 1 >> 99 257323.6093750 . volume 27700 1 >> 100 42081.4531250 . height 27700 1 >> 100 261926.9218750 . volume 27700 1 >> 101 376762.5000000 . height 27700 1 >> 101 2107803.8593800 . volume 27700 1 >> 102 380400.4375000 . height 27700 1 >> 102 2248474.9531200 . volume 27700 1 >> 103 118293.7968750 . height 27700 1 >> 103 728369.2890620 . volume 27700 1 >> 104 82262.5937500 . height 27700 1 >> 104 495187.7421880 . volume 27700 1 >> 105 60821.7968750 . height 27700 1 >> 105 357837.7656250 . volume 27700 1 >> 106 22611.1015625 . height 27700 1 >> 106 234600.7578120 . volume 27700 1 >> 107 31304.7031250 . height 27700 1 >> 107 170440.4531250 . volume 27700 1 >> 108 21536.9609375 . height 27700 1 >> 108 136447.0937500 . volume 27700 1 >> 109 26029.9062500 . height 27700 1 >> 109 145903.0468750 . volume 27700 1 >> 110 67974.0859375 . height 27700 1 >> 110 457347.8437500 . volume 27700 1 >> 111 343904.4375000 . height 27700 1 >> 111 2592461.6953100 . volume 27700 1 >> 112 56329.0312500 . height 27700 1 >> 112 441663.4921880 . volume 27700 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.081 . 21.2406285289 . . . . . . . . . . . 27700 1 >> 1 2 128.917 . 15.4780386721 . . . . . . . . . . . 27700 1 >> 2 1 9.247 . 30.9343336195 . . . . . . . . . . . 27700 1 >> 2 2 128.491 . 18.1194813341 . . . . . . . . . . . 27700 1 >> 3 1 8.573 . 30.3295418257 . . . . . . . . . . . 27700 1 >> 3 2 127.696 . 15.9898656582 . . . . . . . . . . . 27700 1 >> 4 1 7.091 . 29.5969771176 . . . . . . . . . . . 27700 1 >> 4 2 127.539 . 16.2265068450 . . . . . . . . . . . 27700 1 >> 5 1 8.533 . 84.4911172441 . . . . . . . . . . . 27700 1 >> 5 2 126.821 . 22.3105104224 . . . . . . . . . . . 27700 1 >> 6 1 8.491 . 25.9314277550 . . . . . . . . . . . 27700 1 >> 6 2 126.811 . 16.3195615999 . . . . . . . . . . . 27700 1 >> 7 1 8.420 . 22.2365758041 . . . . . . . . . . . 27700 1 >> 7 2 126.798 . 15.3306287800 . . . . . . . . . . . 27700 1 >> 8 1 8.513 . 24.9618868821 . . . . . . . . . . . 27700 1 >> 8 2 126.703 . 15.5014444489 . . . . . . . . . . . 27700 1 >> 9 1 8.364 . 20.9929194392 . . . . . . . . . . . 27700 1 >> 9 2 126.469 . 16.0719667162 . . . . . . . . . . . 27700 1 >> 10 1 8.806 . 29.4755076672 . . . . . . . . . . . 27700 1 >> 10 2 126.140 . 17.0698898345 . . . . . . . . . . . 27700 1 >> 11 1 9.154 . 27.7444402256 . . . . . . . . . . . 27700 1 >> 11 2 126.020 . 17.7122311519 . . . . . . . . . . . 27700 1 >> 12 1 8.470 . 22.1174914481 . . . . . . . . . . . 27700 1 >> 12 2 125.493 . 15.9276052586 . . . . . . . . . . . 27700 1 >> 13 1 8.608 . 20.1458702000 . . . . . . . . . . . 27700 1 >> 13 2 125.279 . 15.5996143735 . . . . . . . . . . . 27700 1 >> 14 1 9.040 . 26.5178202492 . . . . . . . . . . . 27700 1 >> 14 2 125.173 . 16.7998708733 . . . . . . . . . . . 27700 1 >> 15 1 8.198 . 21.4672124967 . . . . . . . . . . . 27700 1 >> 15 2 125.094 . 15.6724667913 . . . . . . . . . . . 27700 1 >> 16 1 7.180 . 25.3058515671 . . . . . . . . . . . 27700 1 >> 16 2 125.092 . 15.2766869898 . . . . . . . . . . . 27700 1 >> 17 1 8.989 . 26.2709629790 . . . . . . . . . . . 27700 1 >> 17 2 125.026 . 15.6640965135 . . . . . . . . . . . 27700 1 >> 18 1 8.390 . 23.1325194785 . . . . . . . . . . . 27700 1 >> 18 2 124.462 . 15.8785202963 . . . . . . . . . . . 27700 1 >> 19 1 8.430 . 23.8378259649 . . . . . . . . . . . 27700 1 >> 19 2 124.102 . 14.5906342217 . . . . . . . . . . . 27700 1 >> 20 1 8.527 . 23.8243672179 . . . . . . . . . . . 27700 1 >> 20 2 124.075 . 16.6539593642 . . . . . . . . . . . 27700 1 >> 21 1 8.333 . 44.4808179831 . . . . . . . . . . . 27700 1 >> 21 2 124.029 . 15.8037044800 . . . . . . . . . . . 27700 1 >> 22 1 8.305 . 46.8776674896 . . . . . . . . . . . 27700 1 >> 22 2 123.983 . 17.6521924928 . . . . . . . . . . . 27700 1 >> 23 1 8.435 . 21.6326358297 . . . . . . . . . . . 27700 1 >> 23 2 123.815 . 16.3118113426 . . . . . . . . . . . 27700 1 >> 24 1 8.097 . 24.0935421572 . . . . . . . . . . . 27700 1 >> 24 2 123.838 . 15.2019745103 . . . . . . . . . . . 27700 1 >> 25 1 8.366 . 28.4529836258 . . . . . . . . . . . 27700 1 >> 25 2 123.697 . 20.0548755643 . . . . . . . . . . . 27700 1 >> 26 1 8.286 . 21.3348397576 . . . . . . . . . . . 27700 1 >> 26 2 123.693 . 15.6581029813 . . . . . . . . . . . 27700 1 >> 27 1 8.194 . 20.9762237784 . . . . . . . . . . . 27700 1 >> 27 2 123.625 . 17.0153280237 . . . . . . . . . . . 27700 1 >> 28 1 8.447 . 22.5883772279 . . . . . . . . . . . 27700 1 >> 28 2 123.493 . 15.3599764206 . . . . . . . . . . . 27700 1 >> 29 1 8.331 . 22.1667266110 . . . . . . . . . . . 27700 1 >> 29 2 123.477 . 21.5831229492 . . . . . . . . . . . 27700 1 >> 30 1 8.308 . 22.4120506063 . . . . . . . . . . . 27700 1 >> 30 2 123.279 . 17.4760033122 . . . . . . . . . . . 27700 1 >> 31 1 8.430 . 20.4949458016 . . . . . . . . . . . 27700 1 >> 31 2 123.134 . 16.9847403419 . . . . . . . . . . . 27700 1 >> 32 1 8.466 . 71.9387061531 . . . . . . . . . . . 27700 1 >> 32 2 123.077 . 19.0532323226 . . . . . . . . . . . 27700 1 >> 33 1 8.414 . 20.2576289090 . . . . . . . . . . . 27700 1 >> 33 2 122.922 . 16.8350053726 . . . . . . . . . . . 27700 1 >> 34 1 8.977 . 25.6808224793 . . . . . . . . . . . 27700 1 >> 34 2 122.480 . 15.9263652175 . . . . . . . . . . . 27700 1 >> 35 1 9.088 . 25.2682011484 . . . . . . . . . . . 27700 1 >> 35 2 122.308 . 16.5221016549 . . . . . . . . . . . 27700 1 >> 36 1 8.545 . 27.6832795906 . . . . . . . . . . . 27700 1 >> 36 2 122.197 . 17.0081977871 . . . . . . . . . . . 27700 1 >> 37 1 7.612 . 24.9559241461 . . . . . . . . . . . 27700 1 >> 37 2 122.083 . 16.1338654371 . . . . . . . . . . . 27700 1 >> 38 1 8.778 . 27.1261896847 . . . . . . . . . . . 27700 1 >> 38 2 121.940 . 15.6298920450 . . . . . . . . . . . 27700 1 >> 39 1 8.314 . 32.8860222930 . . . . . . . . . . . 27700 1 >> 39 2 121.949 . 17.2668497043 . . . . . . . . . . . 27700 1 >> 40 1 8.193 . 25.3797894934 . . . . . . . . . . . 27700 1 >> 40 2 121.959 . 15.8898873402 . . . . . . . . . . . 27700 1 >> 41 1 9.395 . 28.8593014929 . . . . . . . . . . . 27700 1 >> 41 2 121.673 . 16.2098179578 . . . . . . . . . . . 27700 1 >> 42 1 8.380 . 21.4363766334 . . . . . . . . . . . 27700 1 >> 42 2 121.624 . 15.6465292638 . . . . . . . . . . . 27700 1 >> 43 1 8.218 . 27.6062751143 . . . . . . . . . . . 27700 1 >> 43 2 121.670 . 18.0628527881 . . . . . . . . . . . 27700 1 >> 44 1 8.813 . 26.1629522755 . . . . . . . . . . . 27700 1 >> 44 2 121.373 . 16.6444523821 . . . . . . . . . . . 27700 1 >> 45 1 7.435 . 26.7225976397 . . . . . . . . . . . 27700 1 >> 45 2 121.357 . 16.0648364796 . . . . . . . . . . . 27700 1 >> 46 1 7.900 . 27.3389741778 . . . . . . . . . . . 27700 1 >> 46 2 121.156 . 16.9951773550 . . . . . . . . . . . 27700 1 >> 47 1 8.629 . 28.2236738358 . . . . . . . . . . . 27700 1 >> 47 2 121.096 . 16.6282285103 . . . . . . . . . . . 27700 1 >> 48 1 8.445 . 25.6661711851 . . . . . . . . . . . 27700 1 >> 48 2 121.010 . 18.6021673531 . . . . . . . . . . . 27700 1 >> 49 1 8.178 . 19.8044609733 . . . . . . . . . . . 27700 1 >> 49 2 121.035 . 15.1144482722 . . . . . . . . . . . 27700 1 >> 50 1 7.969 . 26.3667074827 . . . . . . . . . . . 27700 1 >> 50 2 121.019 . 15.8766602346 . . . . . . . . . . . 27700 1 >> 51 1 7.872 . 26.4973765830 . . . . . . . . . . . 27700 1 >> 51 2 120.644 . 16.1435790928 . . . . . . . . . . . 27700 1 >> 52 1 7.368 . 25.3716120269 . . . . . . . . . . . 27700 1 >> 52 2 120.675 . 16.0914973644 . . . . . . . . . . . 27700 1 >> 53 1 8.465 . 20.2859093140 . . . . . . . . . . . 27700 1 >> 53 2 120.519 . 14.9191417906 . . . . . . . . . . . 27700 1 >> 54 1 8.390 . 22.0479829827 . . . . . . . . . . . 27700 1 >> 54 2 120.521 . 15.2695567532 . . . . . . . . . . . 27700 1 >> 55 1 8.507 . 30.0629223447 . . . . . . . . . . . 27700 1 >> 55 2 120.488 . 19.5290981153 . . . . . . . . . . . 27700 1 >> 56 1 7.745 . 26.0581784859 . . . . . . . . . . . 27700 1 >> 56 2 120.444 . 16.6196515590 . . . . . . . . . . . 27700 1 >> 57 1 8.079 . 21.6677307901 . . . . . . . . . . . 27700 1 >> 57 2 120.390 . 14.6325889474 . . . . . . . . . . . 27700 1 >> 58 1 9.317 . 27.4072900960 . . . . . . . . . . . 27700 1 >> 58 2 120.235 . 15.9311187085 . . . . . . . . . . . 27700 1 >> 59 1 8.532 . 34.6653027142 . . . . . . . . . . . 27700 1 >> 59 2 120.269 . 29.2444072054 . . . . . . . . . . . 27700 1 >> 60 1 8.591 . 24.9254290105 . . . . . . . . . . . 27700 1 >> 60 2 120.178 . 17.1608261857 . . . . . . . . . . . 27700 1 >> 61 1 8.330 . 28.1442842651 . . . . . . . . . . . 27700 1 >> 61 2 120.181 . 20.3825564391 . . . . . . . . . . . 27700 1 >> 62 1 8.837 . 27.0992721908 . . . . . . . . . . . 27700 1 >> 62 2 120.009 . 16.0252584994 . . . . . . . . . . . 27700 1 >> 63 1 8.037 . 25.2121514300 . . . . . . . . . . . 27700 1 >> 63 2 120.055 . 16.1671398747 . . . . . . . . . . . 27700 1 >> 64 1 8.413 . 28.2621760739 . . . . . . . . . . . 27700 1 >> 64 2 119.995 . 19.1806465511 . . . . . . . . . . . 27700 1 >> 65 1 7.727 . 28.6599757468 . . . . . . . . . . . 27700 1 >> 65 2 119.956 . 17.1475990801 . . . . . . . . . . . 27700 1 >> 66 1 9.104 . 29.0288135591 . . . . . . . . . . . 27700 1 >> 66 2 119.848 . 16.8842970085 . . . . . . . . . . . 27700 1 >> 67 1 8.204 . 25.0911930712 . . . . . . . . . . . 27700 1 >> 67 2 119.567 . 17.3207914945 . . . . . . . . . . . 27700 1 >> 68 1 8.650 . 27.1393077039 . . . . . . . . . . . 27700 1 >> 68 2 119.132 . 16.5021576597 . . . . . . . . . . . 27700 1 >> 69 1 8.253 . 26.5351973656 . . . . . . . . . . . 27700 1 >> 69 2 119.133 . 19.2689994833 . . . . . . . . . . . 27700 1 >> 70 1 8.808 . 27.1744026643 . . . . . . . . . . . 27700 1 >> 70 2 119.051 . 15.3587363795 . . . . . . . . . . . 27700 1 >> 71 1 8.349 . 21.8205471955 . . . . . . . . . . . 27700 1 >> 71 2 118.797 . 18.4431320751 . . . . . . . . . . . 27700 1 >> 72 1 8.155 . 27.5906016369 . . . . . . . . . . . 27700 1 >> 72 2 118.918 . 17.5583627121 . . . . . . . . . . . 27700 1 >> 73 1 7.571 . 27.7928235691 . . . . . . . . . . . 27700 1 >> 73 2 118.916 . 15.4539095380 . . . . . . . . . . . 27700 1 >> 74 1 8.284 . 26.7967059300 . . . . . . . . . . . 27700 1 >> 74 2 118.865 . 16.3924140176 . . . . . . . . . . . 27700 1 >> 75 1 8.291 . 25.9808332818 . . . . . . . . . . . 27700 1 >> 75 2 118.576 . 19.3943469766 . . . . . . . . . . . 27700 1 >> 76 1 8.231 . 25.4978516662 . . . . . . . . . . . 27700 1 >> 76 2 118.402 . 17.9827667969 . . . . . . . . . . . 27700 1 >> 77 1 7.473 . 25.4213582815 . . . . . . . . . . . 27700 1 >> 77 2 117.845 . 15.2066246646 . . . . . . . . . . . 27700 1 >> 78 1 8.410 . 27.5698172428 . . . . . . . . . . . 27700 1 >> 78 2 117.747 . 17.9343018552 . . . . . . . . . . . 27700 1 >> 79 1 7.238 . 28.1127669462 . . . . . . . . . . . 27700 1 >> 79 2 117.757 . 16.2168448576 . . . . . . . . . . . 27700 1 >> 80 1 8.582 . 26.0080915035 . . . . . . . . . . . 27700 1 >> 80 2 117.654 . 16.3414689936 . . . . . . . . . . . 27700 1 >> 81 1 8.333 . 29.7857403028 . . . . . . . . . . . 27700 1 >> 81 2 117.434 . 18.8008839479 . . . . . . . . . . . 27700 1 >> 82 1 7.428 . 26.0339868141 . . . . . . . . . . . 27700 1 >> 82 2 117.249 . 16.0331120934 . . . . . . . . . . . 27700 1 >> 83 1 8.215 . 22.4597524942 . . . . . . . . . . . 27700 1 >> 83 2 116.985 . 15.6201783893 . . . . . . . . . . . 27700 1 >> 84 1 8.425 . 22.5991101527 . . . . . . . . . . . 27700 1 >> 84 2 116.582 . 15.3688633822 . . . . . . . . . . . 27700 1 >> 85 1 8.367 . 22.5100098405 . . . . . . . . . . . 27700 1 >> 85 2 116.456 . 15.3081013657 . . . . . . . . . . . 27700 1 >> 86 1 8.125 . 25.5174435130 . . . . . . . . . . . 27700 1 >> 86 2 116.348 . 16.3995442543 . . . . . . . . . . . 27700 1 >> 87 1 8.003 . 29.2806113820 . . . . . . . . . . . 27700 1 >> 87 2 115.676 . 16.7074878074 . . . . . . . . . . . 27700 1 >> 88 1 8.702 . 29.7606968116 . . . . . . . . . . . 27700 1 >> 88 2 115.014 . 17.2183847626 . . . . . . . . . . . 27700 1 >> 89 1 7.753 . 29.3008846844 . . . . . . . . . . . 27700 1 >> 89 2 114.500 . 16.4146314216 . . . . . . . . . . . 27700 1 >> 90 1 7.937 . 25.3024442894 . . . . . . . . . . . 27700 1 >> 90 2 114.441 . 16.5882371831 . . . . . . . . . . . 27700 1 >> 91 1 7.684 . 24.0751428575 . . . . . . . . . . . 27700 1 >> 91 2 114.239 . 18.4848801273 . . . . . . . . . . . 27700 1 >> 92 1 8.625 . 29.7276462178 . . . . . . . . . . . 27700 1 >> 92 2 113.504 . 16.8424456196 . . . . . . . . . . . 27700 1 >> 93 1 7.811 . 24.1204596511 . . . . . . . . . . . 27700 1 >> 93 2 113.519 . 16.6626396523 . . . . . . . . . . . 27700 1 >> 94 1 7.689 . 19.6879320755 . . . . . . . . . . . 27700 1 >> 94 2 113.318 . 17.2698464704 . . . . . . . . . . . 27700 1 >> 95 1 8.681 . 26.8520741928 . . . . . . . . . . . 27700 1 >> 95 2 112.679 . 16.2184982459 . . . . . . . . . . . 27700 1 >> 96 1 8.045 . 26.9549739797 . . . . . . . . . . . 27700 1 >> 96 2 111.910 . 17.1332352700 . . . . . . . . . . . 27700 1 >> 97 1 7.308 . 24.5831679644 . . . . . . . . . . . 27700 1 >> 97 2 111.416 . 17.1348886582 . . . . . . . . . . . 27700 1 >> 98 1 8.382 . 23.4742694330 . . . . . . . . . . . 27700 1 >> 98 2 110.156 . 15.6563462563 . . . . . . . . . . . 27700 1 >> 99 1 8.076 . 27.9793720238 . . . . . . . . . . . 27700 1 >> 99 2 109.994 . 16.1352088150 . . . . . . . . . . . 27700 1 >> 100 1 8.443 . 31.4972158976 . . . . . . . . . . . 27700 1 >> 100 2 109.830 . 16.0684532663 . . . . . . . . . . . 27700 1 >> 101 1 8.486 . 23.2575665705 . . . . . . . . . . . 27700 1 >> 101 2 109.476 . 14.5715169206 . . . . . . . . . . . 27700 1 >> 102 1 8.313 . 21.6764193483 . . . . . . . . . . . 27700 1 >> 102 2 109.381 . 15.6026111396 . . . . . . . . . . . 27700 1 >> 103 1 8.217 . 25.9557897906 . . . . . . . . . . . 27700 1 >> 103 2 108.086 . 16.5262351254 . . . . . . . . . . . 27700 1 >> 104 1 7.491 . 26.3011173868 . . . . . . . . . . . 27700 1 >> 104 2 105.035 . 15.8543394938 . . . . . . . . . . . 27700 1 >> 105 1 7.025 . 27.6156451281 . . . . . . . . . . . 27700 1 >> 105 2 104.629 . 15.2148916057 . . . . . . . . . . . 27700 1 >> 106 1 10.500 . 25.5170601943 . . . . . . . . . . . 27700 1 >> 106 2 132.810 . 25.4440427488 . . . . . . . . . . . 27700 1 >> 107 1 8.189 . 17.1132226724 . . . . . . . . . . . 27700 1 >> 107 2 122.341 . 14.9853806555 . . . . . . . . . . . 27700 1 >> 108 1 6.740 . 25.9501677824 . . . . . . . . . . . 27700 1 >> 108 2 117.562 . 17.8481189950 . . . . . . . . . . . 27700 1 >> 109 1 8.043 . 20.2905091389 . . . . . . . . . . . 27700 1 >> 109 2 117.064 . 15.1481360569 . . . . . . . . . . . 27700 1 >> 110 1 7.672 . 26.6033429198 . . . . . . . . . . . 27700 1 >> 110 2 114.407 . 18.1161745577 . . . . . . . . . . . 27700 1 >> 111 1 8.349 . 22.1060770677 . . . . . . . . . . . 27700 1 >> 111 2 119.020 . 23.7065900877 . . . . . . . . . . . 27700 1 >> 112 1 8.362 . 46.1461249648 . . . . . . . . . . . 27700 1 >> 112 2 110.238 . 20.6332514256 . . . . . . . . . . . 27700 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 2 . . 8.081 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 1 >> 1 2 1 . . 128.917 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 1 >> 2 1 1 . . 9.247 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 1 >> 2 2 1 . . 128.491 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 1 >> 3 1 1 . . 8.573 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 1 >> 3 2 1 . . 127.696 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 1 >> 4 1 1 . . 7.091 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 1 >> 4 2 1 . . 127.539 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 1 >> 5 1 1 . . 8.533 . . 1 . . . . . . . . . . . . . . . 87 . 27700 1 >> 5 2 1 . . 126.821 . . 1 . . . . . . . . . . . . . . . 88 . 27700 1 >> 6 1 1 . . 8.491 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 1 >> 6 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 1 >> 7 1 1 . . 8.420 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 1 >> 7 2 1 . . 126.798 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 1 >> 8 1 1 . . 8.513 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 1 >> 8 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 1 >> 9 1 1 . . 8.364 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 1 >> 9 2 1 . . 126.469 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 1 >> 10 1 1 . . 8.806 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 1 >> 10 2 1 . . 126.140 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 1 >> 11 1 1 . . 9.154 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 1 >> 11 2 1 . . 126.020 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 1 >> 12 1 1 . . 8.470 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 1 >> 12 2 1 . . 125.493 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 1 >> 13 1 1 . . 8.608 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 1 >> 13 2 1 . . 125.279 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 1 >> 14 1 1 . . 9.040 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 1 >> 14 2 1 . . 125.173 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 1 >> 15 1 1 . . 8.198 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 1 >> 15 2 1 . . 125.094 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 1 >> 16 1 1 . . 7.180 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 1 >> 16 2 1 . . 125.092 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 1 >> 17 1 1 . . 8.989 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 1 >> 17 2 1 . . 125.026 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 1 >> 18 1 1 . . 8.390 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 1 >> 18 2 1 . . 124.462 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 1 >> 19 1 1 . . 8.430 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 1 >> 19 2 1 . . 124.102 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 1 >> 20 1 1 . . 8.527 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 1 >> 20 2 1 . . 124.075 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 1 >> 21 1 1 . . 8.333 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 1 >> 21 2 1 . . 124.029 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 1 >> 22 1 1 . . 8.305 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 1 >> 22 2 1 . . 123.983 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 1 >> 23 1 1 . . 8.435 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 1 >> 23 2 1 . . 123.815 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 1 >> 24 1 1 . . 8.097 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 1 >> 24 2 1 . . 123.838 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 1 >> 25 1 1 . . 8.366 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 1 >> 25 2 1 . . 123.697 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 1 >> 26 1 1 . . 8.286 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 1 >> 26 2 1 . . 123.693 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 1 >> 27 1 1 . . 8.194 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 1 >> 27 2 1 . . 123.625 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 1 >> 28 1 1 . . 8.447 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 1 >> 28 2 1 . . 123.493 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 1 >> 29 1 1 . . 8.331 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 1 >> 29 2 1 . . 123.477 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 1 >> 30 1 1 . . 8.308 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 1 >> 30 2 1 . . 123.279 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 1 >> 31 1 1 . . 8.430 . . 1 1 1 7 GLU H . . . . . . . . . . 125 . 27700 1 >> 31 2 1 . . 123.134 . . 1 1 1 7 GLU N . . . . . . . . . . 126 . 27700 1 >> 32 1 1 . . 8.466 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 1 >> 32 2 1 . . 123.077 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 1 >> 33 1 1 . . 8.414 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 1 >> 33 2 1 . . 122.922 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 1 >> 34 1 1 . . 8.977 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 1 >> 34 2 1 . . 122.480 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 1 >> 35 1 1 . . 9.088 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 1 >> 35 2 1 . . 122.308 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 1 >> 36 1 1 . . 8.545 . . 1 1 1 93 ILE H . . . . . . . . . . 173 . 27700 1 >> 36 2 1 . . 122.197 . . 1 1 1 93 ILE N . . . . . . . . . . 174 . 27700 1 >> 37 1 1 . . 7.612 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 1 >> 37 2 1 . . 122.083 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 1 >> 38 1 1 . . 8.778 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 1 >> 38 2 1 . . 121.940 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 1 >> 39 1 1 . . 8.314 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 1 >> 39 2 1 . . 121.949 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 1 >> 40 1 1 . . 8.193 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 1 >> 40 2 1 . . 121.959 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 1 >> 41 1 1 . . 9.395 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 1 >> 41 2 1 . . 121.673 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 1 >> 42 1 1 . . 8.380 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 1 >> 42 2 1 . . 121.624 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 1 >> 43 1 1 . . 8.218 . . 1 1 1 47 LYS H . . . . . . . . . . 127 . 27700 1 >> 43 2 1 . . 121.670 . . 1 1 1 47 LYS N . . . . . . . . . . 128 . 27700 1 >> 44 1 1 . . 8.813 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 1 >> 44 2 1 . . 121.373 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 1 >> 45 1 1 . . 7.435 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 1 >> 45 2 1 . . 121.357 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 1 >> 46 1 1 . . 7.900 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 1 >> 46 2 1 . . 121.156 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 1 >> 47 1 1 . . 8.629 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 1 >> 47 2 1 . . 121.096 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 1 >> 48 1 1 . . 8.445 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 1 >> 48 2 1 . . 121.010 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 1 >> 49 1 1 . . 8.178 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 1 >> 49 2 1 . . 121.035 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 1 >> 50 1 1 . . 7.969 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 1 >> 50 2 1 . . 121.019 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 1 >> 51 1 1 . . 7.872 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 1 >> 51 2 1 . . 120.644 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 1 >> 52 1 1 . . 7.368 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 1 >> 52 2 1 . . 120.675 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 1 >> 53 1 1 . . 8.465 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 1 >> 53 2 1 . . 120.519 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 1 >> 54 1 1 . . 8.390 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 1 >> 54 2 1 . . 120.521 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 1 >> 55 1 1 . . 8.507 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 1 >> 55 2 1 . . 120.488 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 1 >> 56 1 1 . . 7.745 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 1 >> 56 2 1 . . 120.444 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 1 >> 57 1 1 . . 8.079 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 1 >> 57 2 1 . . 120.390 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 1 >> 58 1 1 . . 9.317 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 1 >> 58 2 1 . . 120.235 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 1 >> 59 1 1 . . 8.532 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 1 >> 59 2 1 . . 120.269 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 1 >> 60 1 1 . . 8.591 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 1 >> 60 2 1 . . 120.178 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 1 >> 61 1 1 . . 8.330 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 1 >> 61 2 1 . . 120.181 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 1 >> 62 1 1 . . 8.837 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 1 >> 62 2 1 . . 120.009 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 1 >> 63 1 1 . . 8.037 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 1 >> 63 2 1 . . 120.055 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 1 >> 64 1 1 . . 8.413 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 1 >> 64 2 1 . . 119.995 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 1 >> 65 1 1 . . 7.727 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 1 >> 65 2 1 . . 119.956 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 1 >> 66 1 1 . . 9.104 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 1 >> 66 2 1 . . 119.848 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 1 >> 67 1 1 . . 8.204 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 1 >> 67 2 1 . . 119.567 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 1 >> 68 1 1 . . 8.650 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 1 >> 68 2 1 . . 119.132 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 1 >> 69 1 1 . . 8.253 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 1 >> 69 2 1 . . 119.133 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 1 >> 70 1 1 . . 8.808 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 1 >> 70 2 1 . . 119.051 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 1 >> 71 1 1 . . 8.349 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 1 >> 71 2 1 . . 118.797 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 1 >> 72 1 1 . . 8.155 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 1 >> 72 2 1 . . 118.918 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 1 >> 73 1 1 . . 7.571 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 1 >> 73 2 1 . . 118.916 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 1 >> 74 1 1 . . 8.284 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 1 >> 74 2 1 . . 118.865 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 1 >> 75 1 1 . . 8.291 . . 1 1 1 92 SER H . . . . . . . . . . 81 . 27700 1 >> 75 2 1 . . 118.576 . . 1 1 1 92 SER N . . . . . . . . . . 82 . 27700 1 >> 76 1 1 . . 8.231 . . 1 1 1 49 SER H . . . . . . . . . . 93 . 27700 1 >> 76 2 1 . . 118.402 . . 1 1 1 49 SER N . . . . . . . . . . 94 . 27700 1 >> 77 1 1 . . 7.473 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 1 >> 77 2 1 . . 117.845 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 1 >> 78 1 1 . . 8.410 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 1 >> 78 2 1 . . 117.747 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 1 >> 79 1 1 . . 7.238 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 1 >> 79 2 1 . . 117.757 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 1 >> 80 1 1 . . 8.582 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 1 >> 80 2 1 . . 117.654 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 1 >> 81 1 1 . . 8.333 . . 1 1 1 55 THR H . . . . . . . . . . 47 . 27700 1 >> 81 2 1 . . 117.434 . . 1 1 1 55 THR N . . . . . . . . . . 48 . 27700 1 >> 82 1 1 . . 7.428 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 1 >> 82 2 1 . . 117.249 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 1 >> 83 1 1 . . 8.215 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 1 >> 83 2 1 . . 116.985 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 1 >> 84 1 1 . . 8.425 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 1 >> 84 2 1 . . 116.582 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 1 >> 85 1 1 . . 8.367 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 1 >> 85 2 1 . . 116.456 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 1 >> 86 1 1 . . 8.125 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 1 >> 86 2 1 . . 116.348 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 1 >> 87 1 1 . . 8.003 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 1 >> 87 2 1 . . 115.676 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 1 >> 88 1 1 . . 8.702 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 1 >> 88 2 1 . . 115.014 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 1 >> 89 1 1 . . 7.753 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 1 >> 89 2 1 . . 114.500 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 1 >> 90 1 1 . . 7.937 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 1 >> 90 2 1 . . 114.441 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 1 >> 91 1 1 . . 7.684 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 1 >> 91 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 1 >> 92 1 1 . . 8.625 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 1 >> 92 2 1 . . 113.504 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 1 >> 93 1 1 . . 7.811 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 1 >> 93 2 1 . . 113.519 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 1 >> 94 1 1 . . 7.689 . . 1 . . . . . . . . . . . . . . . 51 . 27700 1 >> 94 2 1 . . 113.318 . . 1 . . . . . . . . . . . . . . . 52 . 27700 1 >> 95 1 1 . . 8.681 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 1 >> 95 2 1 . . 112.679 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 1 >> 96 1 1 . . 8.045 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 1 >> 96 2 1 . . 111.910 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 1 >> 97 1 1 . . 7.308 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 1 >> 97 2 1 . . 111.416 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 1 >> 98 1 1 . . 8.382 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 1 >> 98 2 1 . . 110.156 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 1 >> 99 1 1 . . 8.076 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 1 >> 99 2 1 . . 109.994 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 1 >> 100 1 1 . . 8.443 . . 1 1 1 46 GLY H . . . . . . . . . . 157 . 27700 1 >> 100 2 1 . . 109.830 . . 1 1 1 46 GLY N . . . . . . . . . . 158 . 27700 1 >> 101 1 1 . . 8.486 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 1 >> 101 2 1 . . 109.476 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 1 >> 102 1 1 . . 8.313 . . 1 1 1 26 GLY H . . . . . . . . . . 53 . 27700 1 >> 102 2 1 . . 109.381 . . 1 1 1 26 GLY N . . . . . . . . . . 54 . 27700 1 >> 103 1 1 . . 8.217 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 1 >> 103 2 1 . . 108.086 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 1 >> 104 1 1 . . 7.491 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 1 >> 104 2 1 . . 105.035 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 1 >> 105 1 1 . . 7.025 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 1 >> 105 2 1 . . 104.629 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 1 >> 106 1 1 . . 10.500 . . 1 . . . . . . . . . . . . . . . 201 . 27700 1 >> 106 2 1 . . 132.810 . . 1 . . . . . . . . . . . . . . . 202 . 27700 1 >> 107 1 1 . . 8.189 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 1 >> 107 2 1 . . 122.341 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 1 >> 108 1 1 . . 6.740 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 1 >> 108 2 1 . . 117.562 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 1 >> 109 1 1 . . 8.043 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 1 >> 109 2 1 . . 117.064 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 1 >> 110 1 2 . . 7.672 . . 1 . . . . . . . . . . . . . . . 291 . 27700 1 >> 110 2 1 . . 114.407 . . 1 . . . . . . . . . . . . . . . 290 . 27700 1 >> 111 1 1 . . 8.349 . . 1 . . . . . . . . . . . . . . . 386 . 27700 1 >> 111 2 1 . . 119.020 . . 1 . . . . . . . . . . . . . . . 385 . 27700 1 >> 112 1 1 . . 8.362 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 1 >> 112 2 1 . . 110.238 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCO' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $NGH1x_low_ionic_strength _Sample_conditions_label $CondSet4 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 27700 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength >> _Spectral_peak_list.Sample_condition_list_ID 2 >> _Spectral_peak_list.Sample_condition_list_label $CondSet4 >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '3D HNCO' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 5180.54496951 . . . . . . . 27700 2 >> 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 2 >> 3 . . C 13 13C . . 3584.22939068 . . . . . . . 27700 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27700 2 >> 2 1.0 . . 27700 2 >> 3 1.0 . . 27700 2 >> 4 1.0 . . 27700 2 >> 5 1.0 . . 27700 2 >> 6 1.0 . . 27700 2 >> 7 1.0 . . 27700 2 >> 8 1.0 . . 27700 2 >> 9 1.0 . . 27700 2 >> 10 1.0 . . 27700 2 >> 11 1.0 . . 27700 2 >> 12 1.0 . . 27700 2 >> 13 1.0 . . 27700 2 >> 14 1.0 . . 27700 2 >> 15 1.0 . . 27700 2 >> 16 1.0 . . 27700 2 >> 17 1.0 . . 27700 2 >> 18 1.0 . . 27700 2 >> 19 1.0 . . 27700 2 >> 20 1.0 . . 27700 2 >> 21 1.0 . . 27700 2 >> 22 1.0 . . 27700 2 >> 23 1.0 . . 27700 2 >> 24 1.0 . . 27700 2 >> 25 1.0 . . 27700 2 >> 26 1.0 . . 27700 2 >> 27 1.0 . . 27700 2 >> 28 1.0 . . 27700 2 >> 29 1.0 . . 27700 2 >> 30 1.0 . . 27700 2 >> 31 1.0 . . 27700 2 >> 32 1.0 . . 27700 2 >> 33 1.0 . . 27700 2 >> 34 1.0 . . 27700 2 >> 35 1.0 . . 27700 2 >> 36 1.0 . . 27700 2 >> 37 1.0 . . 27700 2 >> 38 1.0 . . 27700 2 >> 39 1.0 . . 27700 2 >> 40 1.0 . . 27700 2 >> 41 1.0 . . 27700 2 >> 42 1.0 . . 27700 2 >> 43 1.0 . . 27700 2 >> 44 1.0 . . 27700 2 >> 45 1.0 . . 27700 2 >> 46 1.0 . . 27700 2 >> 47 1.0 . . 27700 2 >> 48 1.0 . . 27700 2 >> 49 1.0 . . 27700 2 >> 50 1.0 . . 27700 2 >> 51 1.0 . . 27700 2 >> 52 1.0 . . 27700 2 >> 53 1.0 . . 27700 2 >> 54 1.0 . . 27700 2 >> 55 1.0 . . 27700 2 >> 56 1.0 . . 27700 2 >> 57 1.0 . . 27700 2 >> 58 1.0 . . 27700 2 >> 59 1.0 . . 27700 2 >> 60 1.0 . . 27700 2 >> 61 1.0 . . 27700 2 >> 62 1.0 . . 27700 2 >> 63 1.0 . . 27700 2 >> 64 1.0 . . 27700 2 >> 65 1.0 . . 27700 2 >> 66 1.0 . . 27700 2 >> 67 1.0 . . 27700 2 >> 68 1.0 . . 27700 2 >> 69 1.0 . . 27700 2 >> 70 1.0 . . 27700 2 >> 71 1.0 . . 27700 2 >> 72 1.0 . . 27700 2 >> 73 1.0 . . 27700 2 >> 74 1.0 . . 27700 2 >> 75 1.0 . . 27700 2 >> 76 1.0 . . 27700 2 >> 77 1.0 . . 27700 2 >> 78 1.0 . . 27700 2 >> 79 1.0 . . 27700 2 >> 80 1.0 . . 27700 2 >> 81 1.0 . . 27700 2 >> 82 1.0 . . 27700 2 >> 83 1.0 . . 27700 2 >> 84 1.0 . . 27700 2 >> 85 1.0 . . 27700 2 >> 86 1.0 . . 27700 2 >> 87 1.0 . . 27700 2 >> 88 1.0 . . 27700 2 >> 89 1.0 . . 27700 2 >> 90 1.0 . . 27700 2 >> 91 1.0 . . 27700 2 >> 92 1.0 . . 27700 2 >> 93 1.0 . . 27700 2 >> 94 1.0 . . 27700 2 >> 95 1.0 . . 27700 2 >> 96 1.0 . . 27700 2 >> 97 1.0 . . 27700 2 >> 98 1.0 . . 27700 2 >> 99 1.0 . . 27700 2 >> 100 1.0 . . 27700 2 >> 101 1.0 . . 27700 2 >> 102 1.0 . . 27700 2 >> 103 1.0 . . 27700 2 >> 104 1.0 . . 27700 2 >> 105 1.0 . . 27700 2 >> 106 1.0 . . 27700 2 >> 107 1.0 . . 27700 2 >> 108 1.0 . . 27700 2 >> 109 1.0 . . 27700 2 >> 110 1.0 . . 27700 2 >> 111 1.0 . . 27700 2 >> 112 1.0 . . 27700 2 >> 113 1.0 . . 27700 2 >> 114 1.0 . . 27700 2 >> 115 1.0 . . 27700 2 >> 116 1.0 . . 27700 2 >> 117 1.0 . . 27700 2 >> 118 1.0 . . 27700 2 >> 119 1.0 . . 27700 2 >> 120 1.0 . . 27700 2 >> 121 1.0 . . 27700 2 >> 122 1.0 . . 27700 2 >> 123 1.0 . . 27700 2 >> 124 1.0 . . 27700 2 >> 125 1.0 . . 27700 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 213887.5000 . height 27700 2 >> 1 3138763.6875 . volume 27700 2 >> 2 351334.8125 . height 27700 2 >> 2 4837745.6250 . volume 27700 2 >> 3 337121.8125 . height 27700 2 >> 3 4832579.2500 . volume 27700 2 >> 4 514518.0625 . height 27700 2 >> 4 6913501.5000 . volume 27700 2 >> 5 1312440.7500 . height 27700 2 >> 5 17732187.3125 . volume 27700 2 >> 6 3504734.0000 . height 27700 2 >> 6 39180890.8750 . volume 27700 2 >> 7 554752.5000 . height 27700 2 >> 7 7579006.3750 . volume 27700 2 >> 8 341709.1875 . height 27700 2 >> 8 4811707.5000 . volume 27700 2 >> 9 208881.1875 . height 27700 2 >> 9 3007632.4375 . volume 27700 2 >> 10 356125.0625 . height 27700 2 >> 10 4931331.8125 . volume 27700 2 >> 11 3790518.5000 . height 27700 2 >> 11 40719903.1875 . volume 27700 2 >> 12 9795.7500 . height 27700 2 >> 12 46.9375 . volume 27700 2 >> 13 548516.0000 . height 27700 2 >> 13 6630499.1250 . volume 27700 2 >> 14 554664.1875 . height 27700 2 >> 14 6733500.9375 . volume 27700 2 >> 15 399572.1875 . height 27700 2 >> 15 5556667.8750 . volume 27700 2 >> 16 473421.6875 . height 27700 2 >> 16 6196632.6250 . volume 27700 2 >> 17 2087323.7500 . height 27700 2 >> 17 25969790.8125 . volume 27700 2 >> 18 3227010.7500 . height 27700 2 >> 18 34101412.7500 . volume 27700 2 >> 19 427690.9375 . height 27700 2 >> 19 5489588.8125 . volume 27700 2 >> 20 41473.2500 . height 27700 2 >> 20 809915.5000 . volume 27700 2 >> 21 413272.1250 . height 27700 2 >> 21 5718542.8750 . volume 27700 2 >> 22 3651839.2500 . height 27700 2 >> 22 41250998.7500 . volume 27700 2 >> 23 269590.0625 . height 27700 2 >> 23 3616455.7500 . volume 27700 2 >> 24 740106.9375 . height 27700 2 >> 24 8852897.5000 . volume 27700 2 >> 25 -8859.3125 . height 27700 2 >> 25 -17685.3125 . volume 27700 2 >> 26 439678.6875 . height 27700 2 >> 26 5374028.0000 . volume 27700 2 >> 27 -24757.0000 . height 27700 2 >> 27 -118022.0000 . volume 27700 2 >> 28 288456.2500 . height 27700 2 >> 28 4111438.3750 . volume 27700 2 >> 29 414146.8750 . height 27700 2 >> 29 5652627.1875 . volume 27700 2 >> 30 146469.5000 . height 27700 2 >> 30 2098552.8125 . volume 27700 2 >> 31 4279248.0000 . height 27700 2 >> 31 45420376.8125 . volume 27700 2 >> 32 478860.6250 . height 27700 2 >> 32 6422041.2500 . volume 27700 2 >> 33 4639106.5000 . height 27700 2 >> 33 49149121.7500 . volume 27700 2 >> 34 7067.4375 . height 27700 2 >> 34 -68429.0625 . volume 27700 2 >> 35 2935819.2500 . height 27700 2 >> 35 36335546.4375 . volume 27700 2 >> 36 467202.8750 . height 27700 2 >> 36 6272254.6250 . volume 27700 2 >> 37 1554233.7500 . height 27700 2 >> 37 20195828.8750 . volume 27700 2 >> 38 4500975.0000 . height 27700 2 >> 38 48076239.5000 . volume 27700 2 >> 39 319056.7500 . height 27700 2 >> 39 4169769.9375 . volume 27700 2 >> 40 328975.3125 . height 27700 2 >> 40 4694982.8125 . volume 27700 2 >> 41 177574.5625 . height 27700 2 >> 41 2430021.1250 . volume 27700 2 >> 42 306992.3750 . height 27700 2 >> 42 4305083.2500 . volume 27700 2 >> 43 4144197.5000 . height 27700 2 >> 43 44030462.3750 . volume 27700 2 >> 44 422451.2500 . height 27700 2 >> 44 5597976.1875 . volume 27700 2 >> 45 2282232.5000 . height 27700 2 >> 45 29464442.0625 . volume 27700 2 >> 46 -57246.6250 . height 27700 2 >> 46 126648.5000 . volume 27700 2 >> 47 474595.1875 . height 27700 2 >> 47 6348482.8125 . volume 27700 2 >> 48 332996.0625 . height 27700 2 >> 48 4355958.0625 . volume 27700 2 >> 49 252934.6875 . height 27700 2 >> 49 3422713.9375 . volume 27700 2 >> 50 6896.0000 . height 27700 2 >> 50 161360.4375 . volume 27700 2 >> 51 404189.5625 . height 27700 2 >> 51 5456540.3125 . volume 27700 2 >> 52 431297.6875 . height 27700 2 >> 52 5880347.9375 . volume 27700 2 >> 53 633755.6250 . height 27700 2 >> 53 7610292.5625 . volume 27700 2 >> 54 1841931.1250 . height 27700 2 >> 54 23794965.6875 . volume 27700 2 >> 55 431968.8750 . height 27700 2 >> 55 5834631.5625 . volume 27700 2 >> 56 1337687.0000 . height 27700 2 >> 56 17522609.0625 . volume 27700 2 >> 57 1882934.0000 . height 27700 2 >> 57 26155461.7500 . volume 27700 2 >> 58 505566.5625 . height 27700 2 >> 58 6285800.9375 . volume 27700 2 >> 59 177235.4375 . height 27700 2 >> 59 2553504.5625 . volume 27700 2 >> 60 230872.6875 . height 27700 2 >> 60 3056131.6875 . volume 27700 2 >> 61 3890284.7500 . height 27700 2 >> 61 42614026.6250 . volume 27700 2 >> 62 5311575.0000 . height 27700 2 >> 62 69172688.1875 . volume 27700 2 >> 63 78623.6875 . height 27700 2 >> 63 1013537.7500 . volume 27700 2 >> 64 3196013.5000 . height 27700 2 >> 64 35468631.3750 . volume 27700 2 >> 65 2607440.7500 . height 27700 2 >> 65 33410740.5625 . volume 27700 2 >> 66 3658922.7500 . height 27700 2 >> 66 40926302.2500 . volume 27700 2 >> 67 4375614.5000 . height 27700 2 >> 67 52640492.1250 . volume 27700 2 >> 68 3422181.5000 . height 27700 2 >> 68 37682983.3750 . volume 27700 2 >> 69 172795.5000 . height 27700 2 >> 69 2439189.8125 . volume 27700 2 >> 70 764134.5000 . height 27700 2 >> 70 9119055.8750 . volume 27700 2 >> 71 364281.3750 . height 27700 2 >> 71 5034647.7500 . volume 27700 2 >> 72 588760.4375 . height 27700 2 >> 72 6922595.4375 . volume 27700 2 >> 73 -43783.1250 . height 27700 2 >> 73 359955.8125 . volume 27700 2 >> 74 966213.6875 . height 27700 2 >> 74 13455816.8750 . volume 27700 2 >> 75 304712.5625 . height 27700 2 >> 75 4134561.1250 . volume 27700 2 >> 76 -17295.0625 . height 27700 2 >> 76 1469881.1875 . volume 27700 2 >> 77 2559158.0000 . height 27700 2 >> 77 34582487.2500 . volume 27700 2 >> 78 240346.5625 . height 27700 2 >> 78 3437223.6875 . volume 27700 2 >> 79 462961.3125 . height 27700 2 >> 79 6265169.0625 . volume 27700 2 >> 80 3736509.2500 . height 27700 2 >> 80 40590564.6250 . volume 27700 2 >> 81 398870.5000 . height 27700 2 >> 81 5063967.6250 . volume 27700 2 >> 82 4219525.0000 . height 27700 2 >> 82 42750136.4375 . volume 27700 2 >> 83 381849.8750 . height 27700 2 >> 83 4985585.6250 . volume 27700 2 >> 84 1904204.2500 . height 27700 2 >> 84 21891091.8125 . volume 27700 2 >> 85 278092.2500 . height 27700 2 >> 85 3697821.4375 . volume 27700 2 >> 86 161435.1875 . height 27700 2 >> 86 2254809.5625 . volume 27700 2 >> 87 319308.6875 . height 27700 2 >> 87 4411739.2500 . volume 27700 2 >> 88 4267514.0000 . height 27700 2 >> 88 45049013.3125 . volume 27700 2 >> 89 262367.4375 . height 27700 2 >> 89 3479437.8125 . volume 27700 2 >> 90 447947.3125 . height 27700 2 >> 90 6128962.4375 . volume 27700 2 >> 91 413318.5625 . height 27700 2 >> 91 5216876.6875 . volume 27700 2 >> 92 709746.7500 . height 27700 2 >> 92 8285792.1875 . volume 27700 2 >> 93 3799712.5000 . height 27700 2 >> 93 40110408.1250 . volume 27700 2 >> 94 573190.0000 . height 27700 2 >> 94 7402772.6250 . volume 27700 2 >> 95 239990.8750 . height 27700 2 >> 95 3739808.8125 . volume 27700 2 >> 96 433795.3750 . height 27700 2 >> 96 5815396.4375 . volume 27700 2 >> 97 281881.7500 . height 27700 2 >> 97 4330631.1250 . volume 27700 2 >> 98 515356.3750 . height 27700 2 >> 98 7312460.3125 . volume 27700 2 >> 99 3786774.5000 . height 27700 2 >> 99 45286635.5625 . volume 27700 2 >> 100 3673600.2500 . height 27700 2 >> 100 40945579.1250 . volume 27700 2 >> 101 399977.4375 . height 27700 2 >> 101 5241634.2500 . volume 27700 2 >> 102 444519.8750 . height 27700 2 >> 102 5678183.7500 . volume 27700 2 >> 103 216202.9375 . height 27700 2 >> 103 2745383.2500 . volume 27700 2 >> 104 267775.8750 . height 27700 2 >> 104 4025962.1875 . volume 27700 2 >> 105 427646.9375 . height 27700 2 >> 105 5454047.9375 . volume 27700 2 >> 106 718788.3750 . height 27700 2 >> 106 9693414.6250 . volume 27700 2 >> 107 468888.5625 . height 27700 2 >> 107 6189568.0625 . volume 27700 2 >> 108 4198233.0000 . height 27700 2 >> 108 44353375.5000 . volume 27700 2 >> 109 884625.7500 . height 27700 2 >> 109 10376153.5625 . volume 27700 2 >> 110 101580.5000 . height 27700 2 >> 110 1440900.6250 . volume 27700 2 >> 111 264337.1875 . height 27700 2 >> 111 3549391.1875 . volume 27700 2 >> 112 280456.2500 . height 27700 2 >> 112 3300809.6250 . volume 27700 2 >> 113 2242712.0000 . height 27700 2 >> 113 28317571.1875 . volume 27700 2 >> 114 259025.4375 . height 27700 2 >> 114 3497337.6250 . volume 27700 2 >> 115 248843.3125 . height 27700 2 >> 115 3251088.8750 . volume 27700 2 >> 116 3588763.0000 . height 27700 2 >> 116 39353831.3125 . volume 27700 2 >> 117 3823389.7500 . height 27700 2 >> 117 42053557.1875 . volume 27700 2 >> 118 1532.7500 . height 27700 2 >> 118 -92680.2500 . volume 27700 2 >> 119 287.1875 . height 27700 2 >> 119 123906.3750 . volume 27700 2 >> 120 -3963.6875 . height 27700 2 >> 120 -79400.5625 . volume 27700 2 >> 121 369695.3125 . height 27700 2 >> 121 5028938.8750 . volume 27700 2 >> 122 114158.6875 . height 27700 2 >> 122 1686294.1875 . volume 27700 2 >> 123 -1865.3125 . height 27700 2 >> 123 -45838.0625 . volume 27700 2 >> 124 1138.7500 . height 27700 2 >> 124 17762.1250 . volume 27700 2 >> 125 178968.0000 . height 27700 2 >> 125 2819573.6875 . volume 27700 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.415 . 28.51942554120 . . . . . . . . . . . 27700 2 >> 1 2 119.999 . 25.69421600700 . . . . . . . . . . . 27700 2 >> 1 3 172.310 . 42.54489816650 . . . . . . . . . . . 27700 2 >> 2 1 7.728 . 27.01869007290 . . . . . . . . . . . 27700 2 >> 2 2 119.949 . 23.16515064180 . . . . . . . . . . . 27700 2 >> 2 3 175.479 . 42.22850218470 . . . . . . . . . . . 27700 2 >> 3 1 7.572 . 27.43608159260 . . . . . . . . . . . 27700 2 >> 3 2 118.917 . 24.30464614000 . . . . . . . . . . . 27700 2 >> 3 3 176.802 . 41.13468218020 . . . . . . . . . . . 27700 2 >> 4 1 7.475 . 25.54197591250 . . . . . . . . . . . 27700 2 >> 4 2 117.837 . 22.58451325160 . . . . . . . . . . . 27700 2 >> 4 3 176.642 . 42.49469353730 . . . . . . . . . . . 27700 2 >> 5 1 8.432 . 25.59666271980 . . . . . . . . . . . 27700 2 >> 5 2 124.083 . 24.23698402150 . . . . . . . . . . . 27700 2 >> 5 3 174.613 . 36.18108756230 . . . . . . . . . . . 27700 2 >> 6 1 8.421 . 21.97353396470 . . . . . . . . . . . 27700 2 >> 6 2 126.808 . 20.89958876840 . . . . . . . . . . . 27700 2 >> 6 3 174.590 . 33.48029215280 . . . . . . . . . . . 27700 2 >> 7 1 7.369 . 26.01218023680 . . . . . . . . . . . 27700 2 >> 7 2 120.678 . 24.16803064130 . . . . . . . . . . . 27700 2 >> 7 3 177.710 . 39.78973221180 . . . . . . . . . . . 27700 2 >> 8 1 9.105 . 28.25672442960 . . . . . . . . . . . 27700 2 >> 8 2 119.851 . 24.15072773320 . . . . . . . . . . . 27700 2 >> 8 3 174.912 . 40.99560467570 . . . . . . . . . . . 27700 2 >> 9 1 9.154 . 28.38807498540 . . . . . . . . . . . 27700 2 >> 9 2 126.013 . 23.46166739360 . . . . . . . . . . . 27700 2 >> 9 3 175.747 . 43.59086354570 . . . . . . . . . . . 27700 2 >> 10 1 7.242 . 27.18837250300 . . . . . . . . . . . 27700 2 >> 10 2 117.765 . 23.30469300060 . . . . . . . . . . . 27700 2 >> 10 3 175.290 . 43.68806825320 . . . . . . . . . . . 27700 2 >> 11 1 8.514 . 21.67250097890 . . . . . . . . . . . 27700 2 >> 11 2 126.699 . 20.02527540230 . . . . . . . . . . . 27700 2 >> 11 3 174.564 . 32.68492264560 . . . . . . . . . . . 27700 2 >> 12 1 8.508 . 38.09626100630 . . . . . . . . . . . 27700 2 >> 12 2 126.703 . 15.44245814120 . . . . . . . . . . . 27700 2 >> 12 3 178.469 . 43.16252192290 . . . . . . . . . . . 27700 2 >> 13 1 7.755 . 27.79111993020 . . . . . . . . . . . 27700 2 >> 13 2 114.511 . 20.86885673750 . . . . . . . . . . . 27700 2 >> 13 3 172.802 . 38.12774535150 . . . . . . . . . . . 27700 2 >> 14 1 8.206 . 23.62453038010 . . . . . . . . . . . 27700 2 >> 14 2 119.573 . 20.47889567330 . . . . . . . . . . . 27700 2 >> 14 3 178.594 . 39.98083025750 . . . . . . . . . . . 27700 2 >> 15 1 7.813 . 26.53962682660 . . . . . . . . . . . 27700 2 >> 15 2 113.518 . 23.67089484760 . . . . . . . . . . . 27700 2 >> 15 3 175.265 . 43.59342718640 . . . . . . . . . . . 27700 2 >> 16 1 8.583 . 26.47097018070 . . . . . . . . . . . 27700 2 >> 16 2 117.663 . 22.29268808440 . . . . . . . . . . . 27700 2 >> 16 3 177.670 . 43.12641731730 . . . . . . . . . . . 27700 2 >> 17 1 8.426 . 23.22707143500 . . . . . . . . . . . 27700 2 >> 17 2 116.578 . 23.76300485610 . . . . . . . . . . . 27700 2 >> 17 3 177.190 . 33.71956527870 . . . . . . . . . . . 27700 2 >> 18 1 8.365 . 20.53106294540 . . . . . . . . . . . 27700 2 >> 18 2 126.468 . 19.70792629350 . . . . . . . . . . . 27700 2 >> 18 3 175.857 . 32.51903373280 . . . . . . . . . . . 27700 2 >> 19 1 7.939 . 25.47485254160 . . . . . . . . . . . 27700 2 >> 19 2 114.430 . 21.67322675590 . . . . . . . . . . . 27700 2 >> 19 3 175.464 . 41.03256382820 . . . . . . . . . . . 27700 2 >> 20 1 7.938 . 30.53977086050 . . . . . . . . . . . 27700 2 >> 20 2 114.441 . 21.78789080390 . . . . . . . . . . . 27700 2 >> 20 3 175.259 . 139.83762392400 . . . . . . . . . . . 27700 2 >> 21 1 8.652 . 27.55516594870 . . . . . . . . . . . 27700 2 >> 21 2 119.128 . 23.16274028650 . . . . . . . . . . . 27700 2 >> 21 3 175.109 . 42.13770657880 . . . . . . . . . . . 27700 2 >> 22 1 8.307 . 20.66002840680 . . . . . . . . . . . 27700 2 >> 22 2 123.980 . 22.81917856310 . . . . . . . . . . . 27700 2 >> 22 3 177.423 . 32.21695141130 . . . . . . . . . . . 27700 2 >> 23 1 8.807 . 28.20033398340 . . . . . . . . . . . 27700 2 >> 23 2 126.129 . 23.57792399780 . . . . . . . . . . . 27700 2 >> 23 3 174.630 . 38.34950026650 . . . . . . . . . . . 27700 2 >> 24 1 7.689 . 20.37756508440 . . . . . . . . . . . 27700 2 >> 24 2 114.259 . 23.64197058320 . . . . . . . . . . . 27700 2 >> 24 3 176.951 . 46.98074419440 . . . . . . . . . . . 27700 2 >> 25 1 7.679 . 16.43125603840 . . . . . . . . . . . 27700 2 >> 25 2 114.239 . 15.32986011210 . . . . . . . . . . . 27700 2 >> 25 3 175.247 . 29.36607620620 . . . . . . . . . . . 27700 2 >> 26 1 8.254 . 25.75953059440 . . . . . . . . . . . 27700 2 >> 26 2 119.116 . 21.72384421860 . . . . . . . . . . . 27700 2 >> 26 3 179.239 . 38.70210767220 . . . . . . . . . . . 27700 2 >> 27 1 8.259 . 61.82352080940 . . . . . . . . . . . 27700 2 >> 27 2 119.133 . 12.17177808110 . . . . . . . . . . . 27700 2 >> 27 3 177.549 . 27.61318692170 . . . . . . . . . . . 27700 2 >> 28 1 8.336 . 28.68058977690 . . . . . . . . . . . 27700 2 >> 28 2 117.439 . 24.89638838170 . . . . . . . . . . . 27700 2 >> 28 3 179.596 . 42.12697133370 . . . . . . . . . . . 27700 2 >> 29 1 8.811 . 27.00932005920 . . . . . . . . . . . 27700 2 >> 29 2 119.057 . 22.93341219050 . . . . . . . . . . . 27700 2 >> 29 3 175.805 . 41.70423767470 . . . . . . . . . . . 27700 2 >> 30 1 7.692 . 20.03206712440 . . . . . . . . . . . 27700 2 >> 30 2 113.446 . 109.45044935700 . . . . . . . . . . . 27700 2 >> 30 3 176.933 . 32.86768885920 . . . . . . . . . . . 27700 2 >> 31 1 8.315 . 22.28087041440 . . . . . . . . . . . 27700 2 >> 31 2 109.379 . 18.91939575310 . . . . . . . . . . . 27700 2 >> 31 3 174.802 . 33.25981905810 . . . . . . . . . . . 27700 2 >> 32 1 7.430 . 25.47519326940 . . . . . . . . . . . 27700 2 >> 32 2 117.250 . 22.52873074180 . . . . . . . . . . . 27700 2 >> 32 3 178.032 . 43.57836579760 . . . . . . . . . . . 27700 2 >> 33 1 8.491 . 21.53603950650 . . . . . . . . . . . 27700 2 >> 33 2 126.817 . 20.16554947600 . . . . . . . . . . . 27700 2 >> 33 3 176.244 . 32.59348612960 . . . . . . . . . . . 27700 2 >> 34 1 8.485 . 14.07103476730 . . . . . . . . . . . 27700 2 >> 34 2 126.811 . 14.40079724560 . . . . . . . . . . . 27700 2 >> 34 3 178.287 . 21.73337030580 . . . . . . . . . . . 27700 2 >> 35 1 8.471 . 21.95888267060 . . . . . . . . . . . 27700 2 >> 35 2 125.491 . 23.39120754130 . . . . . . . . . . . 27700 2 >> 35 3 174.338 . 33.58454687190 . . . . . . . . . . . 27700 2 >> 36 1 8.411 . 28.46405727830 . . . . . . . . . . . 27700 2 >> 36 2 117.745 . 24.89948741000 . . . . . . . . . . . 27700 2 >> 36 3 175.381 . 33.96759751020 . . . . . . . . . . . 27700 2 >> 37 1 8.098 . 24.77244224130 . . . . . . . . . . . 27700 2 >> 37 2 123.836 . 23.75482686470 . . . . . . . . . . . 27700 2 >> 37 3 174.785 . 36.64681561100 . . . . . . . . . . . 27700 2 >> 38 1 8.609 . 20.75406927160 . . . . . . . . . . . 27700 2 >> 38 2 125.279 . 21.56071481090 . . . . . . . . . . . 27700 2 >> 38 3 176.087 . 31.09471772310 . . . . . . . . . . . 27700 2 >> 39 1 7.182 . 25.28336353420 . . . . . . . . . . . 27700 2 >> 39 2 125.085 . 21.89945582360 . . . . . . . . . . . 27700 2 >> 39 3 176.119 . 42.84431002900 . . . . . . . . . . . 27700 2 >> 40 1 8.156 . 26.33297543340 . . . . . . . . . . . 27700 2 >> 40 2 118.912 . 24.08978017610 . . . . . . . . . . . 27700 2 >> 40 3 178.866 . 41.10893895550 . . . . . . . . . . . 27700 2 >> 41 1 7.092 . 27.92672958320 . . . . . . . . . . . 27700 2 >> 41 2 127.533 . 24.20775846280 . . . . . . . . . . . 27700 2 >> 41 3 175.020 . 41.93282896470 . . . . . . . . . . . 27700 2 >> 42 1 8.368 . 26.34115289990 . . . . . . . . . . . 27700 2 >> 42 2 123.690 . 23.59970328020 . . . . . . . . . . . 27700 2 >> 42 3 180.489 . 40.19521470570 . . . . . . . . . . . 27700 2 >> 43 1 8.287 . 21.23977670950 . . . . . . . . . . . 27700 2 >> 43 2 123.684 . 21.00693566620 . . . . . . . . . . . 27700 2 >> 43 3 176.661 . 32.24333554610 . . . . . . . . . . . 27700 2 >> 44 1 8.292 . 26.21883163000 . . . . . . . . . . . 27700 2 >> 44 2 118.587 . 23.87887408180 . . . . . . . . . . . 27700 2 >> 44 3 179.246 . 40.37274681970 . . . . . . . . . . . 27700 2 >> 45 1 8.435 . 22.69502502030 . . . . . . . . . . . 27700 2 >> 45 2 123.795 . 25.10643363480 . . . . . . . . . . . 27700 2 >> 45 3 176.709 . 32.75638412830 . . . . . . . . . . . 27700 2 >> 46 1 8.433 . 20.46019156890 . . . . . . . . . . . 27700 2 >> 46 2 123.773 . 7.24630297987 . . . . . . . . . . . 27700 2 >> 46 3 177.700 . 37.18710287500 . . . . . . . . . . . 27700 2 >> 47 1 8.046 . 25.90979154150 . . . . . . . . . . . 27700 2 >> 47 2 111.921 . 22.40683562770 . . . . . . . . . . . 27700 2 >> 47 3 173.378 . 43.13816733690 . . . . . . . . . . . 27700 2 >> 48 1 8.627 . 28.59643001750 . . . . . . . . . . . 27700 2 >> 48 2 113.502 . 23.08638367190 . . . . . . . . . . . 27700 2 >> 48 3 171.983 . 38.09676802710 . . . . . . . . . . . 27700 2 >> 49 1 8.575 . 30.82308600230 . . . . . . . . . . . 27700 2 >> 49 2 127.681 . 23.98626402170 . . . . . . . . . . . 27700 2 >> 49 3 175.256 . 39.33607463770 . . . . . . . . . . . 27700 2 >> 50 1 8.568 . 42.24206616240 . . . . . . . . . . . 27700 2 >> 50 2 127.696 . 20.52340116340 . . . . . . . . . . . 27700 2 >> 50 3 175.633 . 249.74346160900 . . . . . . . . . . . 27700 2 >> 51 1 8.234 . 24.87994185310 . . . . . . . . . . . 27700 2 >> 51 2 118.396 . 22.27392174620 . . . . . . . . . . . 27700 2 >> 51 3 177.578 . 43.09522635620 . . . . . . . . . . . 27700 2 >> 52 1 7.310 . 25.40329970960 . . . . . . . . . . . 27700 2 >> 52 2 111.424 . 24.22080020700 . . . . . . . . . . . 27700 2 >> 52 3 177.247 . 40.43876056600 . . . . . . . . . . . 27700 2 >> 53 1 8.218 . 25.55492356780 . . . . . . . . . . . 27700 2 >> 53 2 108.085 . 19.84066800670 . . . . . . . . . . . 27700 2 >> 53 3 174.747 . 37.96303144070 . . . . . . . . . . . 27700 2 >> 54 1 8.529 . 23.89660150540 . . . . . . . . . . . 27700 2 >> 54 2 124.076 . 23.86708055740 . . . . . . . . . . . 27700 2 >> 54 3 176.497 . 33.73110166160 . . . . . . . . . . . 27700 2 >> 55 1 8.991 . 26.33331616110 . . . . . . . . . . . 27700 2 >> 55 2 125.029 . 23.26053184690 . . . . . . . . . . . 27700 2 >> 55 3 175.621 . 42.46734803720 . . . . . . . . . . . 27700 2 >> 56 1 8.448 . 22.93421591560 . . . . . . . . . . . 27700 2 >> 56 2 123.470 . 52.63596308290 . . . . . . . . . . . 27700 2 >> 56 3 176.700 . 36.32999235580 . . . . . . . . . . . 27700 2 >> 57 1 8.333 . 24.19133102750 . . . . . . . . . . . 27700 2 >> 57 2 123.477 . 24.57796322140 . . . . . . . . . . . 27700 2 >> 57 3 176.742 . 37.84499715310 . . . . . . . . . . . 27700 2 >> 58 1 8.180 . 26.57335887600 . . . . . . . . . . . 27700 2 >> 58 2 121.926 . 21.55477500660 . . . . . . . . . . . 27700 2 >> 58 3 177.184 . 38.87803751080 . . . . . . . . . . . 27700 2 >> 59 1 8.078 . 26.94287814380 . . . . . . . . . . . 27700 2 >> 59 2 110.004 . 25.01638964520 . . . . . . . . . . . 27700 2 >> 59 3 174.866 . 40.53158572070 . . . . . . . . . . . 27700 2 >> 60 1 9.395 . 28.19045287810 . . . . . . . . . . . 27700 2 >> 60 2 121.672 . 22.38540068170 . . . . . . . . . . . 27700 2 >> 60 3 174.564 . 42.58164368220 . . . . . . . . . . . 27700 2 >> 61 1 8.466 . 20.23854815380 . . . . . . . . . . . 27700 2 >> 61 2 120.514 . 20.14471711900 . . . . . . . . . . . 27700 2 >> 61 3 178.499 . 34.16008419460 . . . . . . . . . . . 27700 2 >> 62 1 8.308 . 23.14972623090 . . . . . . . . . . . 27700 2 >> 62 2 123.227 . 22.64107051850 . . . . . . . . . . . 27700 2 >> 62 3 176.615 . 39.40112701880 . . . . . . . . . . . 27700 2 >> 63 1 8.348 . 24.29593445320 . . . . . . . . . . . 27700 2 >> 63 2 118.918 . 26.88871925790 . . . . . . . . . . . 27700 2 >> 63 3 176.888 . 155.92372118400 . . . . . . . . . . . 27700 2 >> 64 1 8.351 . 22.73744562780 . . . . . . . . . . . 27700 2 >> 64 2 118.851 . 19.54927326010 . . . . . . . . . . . 27700 2 >> 64 3 176.692 . 33.74402668310 . . . . . . . . . . . 27700 2 >> 65 1 8.381 . 21.60980706900 . . . . . . . . . . . 27700 2 >> 65 2 121.617 . 23.68768125100 . . . . . . . . . . . 27700 2 >> 65 3 176.865 . 34.12419322570 . . . . . . . . . . . 27700 2 >> 66 1 8.391 . 22.37388909590 . . . . . . . . . . . 27700 2 >> 66 2 120.511 . 19.91513077060 . . . . . . . . . . . 27700 2 >> 66 3 176.401 . 33.98778618020 . . . . . . . . . . . 27700 2 >> 67 1 8.194 . 20.29919769710 . . . . . . . . . . . 27700 2 >> 67 2 123.625 . 22.83682580770 . . . . . . . . . . . 27700 2 >> 67 3 177.562 . 34.03136807100 . . . . . . . . . . . 27700 2 >> 68 1 8.430 . 20.59069030530 . . . . . . . . . . . 27700 2 >> 68 2 123.111 . 22.58942004640 . . . . . . . . . . . 27700 2 >> 68 3 176.371 . 30.80224905390 . . . . . . . . . . . 27700 2 >> 69 1 8.221 . 29.21451019440 . . . . . . . . . . . 27700 2 >> 69 2 121.676 . 24.29388562490 . . . . . . . . . . . 27700 2 >> 69 3 175.482 . 41.54700104910 . . . . . . . . . . . 27700 2 >> 70 1 8.509 . 26.79721702160 . . . . . . . . . . . 27700 2 >> 70 2 120.491 . 20.42741736950 . . . . . . . . . . . 27700 2 >> 70 3 176.308 . 38.22527051400 . . . . . . . . . . . 27700 2 >> 71 1 8.468 . 26.52650880740 . . . . . . . . . . . 27700 2 >> 71 2 123.077 . 23.89290579340 . . . . . . . . . . . 27700 2 >> 71 3 179.959 . 42.81071565490 . . . . . . . . . . . 27700 2 >> 72 1 8.284 . 26.13041277340 . . . . . . . . . . . 27700 2 >> 72 2 118.861 . 19.84170101610 . . . . . . . . . . . 27700 2 >> 72 3 178.360 . 36.89548875270 . . . . . . . . . . . 27700 2 >> 73 1 8.281 . 58.88985469940 . . . . . . . . . . . 27700 2 >> 73 2 118.865 . 5.48924000397 . . . . . . . . . . . 27700 2 >> 73 3 179.246 . 40.15045781290 . . . . . . . . . . . 27700 2 >> 74 1 8.127 . 25.33106542220 . . . . . . . . . . . 27700 2 >> 74 2 116.340 . 23.81844302950 . . . . . . . . . . . 27700 2 >> 74 3 177.689 . 38.90783983320 . . . . . . . . . . . 27700 2 >> 75 1 7.746 . 26.53042717680 . . . . . . . . . . . 27700 2 >> 75 2 120.429 . 23.57835441850 . . . . . . . . . . . 27700 2 >> 75 3 177.753 . 39.70246161180 . . . . . . . . . . . 27700 2 >> 76 1 8.409 . 46.80134446880 . . . . . . . . . . . 27700 2 >> 76 2 122.804 . 3.36838553642 . . . . . . . . . . . 27700 2 >> 76 3 176.344 . 71.26750057320 . . . . . . . . . . . 27700 2 >> 77 1 8.418 . 21.77028984920 . . . . . . . . . . . 27700 2 >> 77 2 122.804 . 25.79295449280 . . . . . . . . . . . 27700 2 >> 77 3 177.290 . 30.71722163950 . . . . . . . . . . . 27700 2 >> 78 1 8.814 . 25.99378093710 . . . . . . . . . . . 27700 2 >> 78 2 121.367 . 24.64321498440 . . . . . . . . . . . 27700 2 >> 78 3 180.446 . 42.23277491910 . . . . . . . . . . . 27700 2 >> 79 1 7.492 . 26.80096502710 . . . . . . . . . . . 27700 2 >> 79 2 105.028 . 24.74384732080 . . . . . . . . . . . 27700 2 >> 79 3 179.479 . 39.27881999680 . . . . . . . . . . . 27700 2 >> 80 1 8.081 . 22.14713476420 . . . . . . . . . . . 27700 2 >> 80 2 120.390 . 19.07951221650 . . . . . . . . . . . 27700 2 >> 80 3 174.770 . 33.94302928750 . . . . . . . . . . . 27700 2 >> 81 1 8.979 . 25.45645324200 . . . . . . . . . . . 27700 2 >> 81 2 122.480 . 21.47626628910 . . . . . . . . . . . 27700 2 >> 81 3 175.147 . 43.36761317370 . . . . . . . . . . . 27700 2 >> 82 1 8.335 . 20.91966296840 . . . . . . . . . . . 27700 2 >> 82 2 124.020 . 19.37133738380 . . . . . . . . . . . 27700 2 >> 82 3 176.369 . 30.51789858010 . . . . . . . . . . . 27700 2 >> 83 1 7.436 . 26.07691851330 . . . . . . . . . . . 27700 2 >> 83 2 121.345 . 22.50832880530 . . . . . . . . . . . 27700 2 >> 83 3 176.095 . 40.32019218660 . . . . . . . . . . . 27700 2 >> 84 1 8.391 . 23.67785427630 . . . . . . . . . . . 27700 2 >> 84 2 124.468 . 20.74377651090 . . . . . . . . . . . 27700 2 >> 84 3 174.945 . 34.28506167560 . . . . . . . . . . . 27700 2 >> 85 1 9.319 . 27.22414891890 . . . . . . . . . . . 27700 2 >> 85 2 120.237 . 23.10756036550 . . . . . . . . . . . 27700 2 >> 85 3 177.425 . 40.33952630980 . . . . . . . . . . . 27700 2 >> 86 1 8.444 . 34.19884639540 . . . . . . . . . . . 27700 2 >> 86 2 109.834 . 23.89436922340 . . . . . . . . . . . 27700 2 >> 86 3 178.139 . 41.68896264930 . . . . . . . . . . . 27700 2 >> 87 1 7.902 . 27.13964843170 . . . . . . . . . . . 27700 2 >> 87 2 121.159 . 23.63999064850 . . . . . . . . . . . 27700 2 >> 87 3 176.060 . 42.37868879860 . . . . . . . . . . . 27700 2 >> 88 1 8.199 . 21.36516452930 . . . . . . . . . . . 27700 2 >> 88 2 125.083 . 20.00749903150 . . . . . . . . . . . 27700 2 >> 88 3 176.473 . 32.20872639760 . . . . . . . . . . . 27700 2 >> 89 1 8.536 . 27.30047193970 . . . . . . . . . . . 27700 2 >> 89 2 120.278 . 21.56415817570 . . . . . . . . . . . 27700 2 >> 89 3 179.151 . 42.16985890520 . . . . . . . . . . . 27700 2 >> 90 1 9.089 . 25.41181790390 . . . . . . . . . . . 27700 2 >> 90 2 122.300 . 23.40412015930 . . . . . . . . . . . 27700 2 >> 90 3 175.634 . 40.12631686360 . . . . . . . . . . . 27700 2 >> 91 1 9.042 . 26.05851921370 . . . . . . . . . . . 27700 2 >> 91 2 125.178 . 20.68670273930 . . . . . . . . . . . 27700 2 >> 91 3 178.733 . 40.29690578420 . . . . . . . . . . . 27700 2 >> 92 1 8.631 . 27.00046113710 . . . . . . . . . . . 27700 2 >> 92 2 121.090 . 19.78066737500 . . . . . . . . . . . 27700 2 >> 92 3 176.479 . 36.42431296760 . . . . . . . . . . . 27700 2 >> 93 1 8.083 . 20.93295135150 . . . . . . . . . . . 27700 2 >> 93 2 128.925 . 19.82629195860 . . . . . . . . . . . 27700 2 >> 93 3 174.800 . 32.82677742740 . . . . . . . . . . . 27700 2 >> 94 1 8.592 . 24.84842453420 . . . . . . . . . . . 27700 2 >> 94 2 120.170 . 21.77015747520 . . . . . . . . . . . 27700 2 >> 94 3 177.741 . 42.53496405900 . . . . . . . . . . . 27700 2 >> 95 1 8.547 . 28.10901894080 . . . . . . . . . . . 27700 2 >> 95 2 122.189 . 24.86376250020 . . . . . . . . . . . 27700 2 >> 95 3 175.648 . 49.22254111180 . . . . . . . . . . . 27700 2 >> 96 1 8.446 . 25.73431673940 . . . . . . . . . . . 27700 2 >> 96 2 120.998 . 24.20229212110 . . . . . . . . . . . 27700 2 >> 96 3 179.535 . 40.35586951880 . . . . . . . . . . . 27700 2 >> 97 1 8.331 . 28.54668376290 . . . . . . . . . . . 27700 2 >> 97 2 120.182 . 26.51838537310 . . . . . . . . . . . 27700 2 >> 97 3 180.258 . 41.72159565820 . . . . . . . . . . . 27700 2 >> 98 1 7.614 . 24.09558652380 . . . . . . . . . . . 27700 2 >> 98 2 122.081 . 24.23009729190 . . . . . . . . . . . 27700 2 >> 98 3 179.342 . 42.15073841870 . . . . . . . . . . . 27700 2 >> 99 1 8.179 . 20.95220247060 . . . . . . . . . . . 27700 2 >> 99 2 121.042 . 23.18357264360 . . . . . . . . . . . 27700 2 >> 99 3 177.903 . 33.12148928220 . . . . . . . . . . . 27700 2 >> 100 1 8.216 . 22.44799738610 . . . . . . . . . . . 27700 2 >> 100 2 116.984 . 18.63841718500 . . . . . . . . . . . 27700 2 >> 100 3 174.692 . 34.72216240390 . . . . . . . . . . . 27700 2 >> 101 1 8.839 . 27.36589167180 . . . . . . . . . . . 27700 2 >> 101 2 120.009 . 22.44385179930 . . . . . . . . . . . 27700 2 >> 101 3 174.086 . 41.50854643960 . . . . . . . . . . . 27700 2 >> 102 1 8.780 . 26.98700239020 . . . . . . . . . . . 27700 2 >> 102 2 121.933 . 22.41268934780 . . . . . . . . . . . 27700 2 >> 102 3 173.674 . 39.75266624100 . . . . . . . . . . . 27700 2 >> 103 1 7.938 . 21.13875092530 . . . . . . . . . . . 27700 2 >> 103 2 120.994 . 24.28364161460 . . . . . . . . . . . 27700 2 >> 103 3 176.039 . 33.07235283660 . . . . . . . . . . . 27700 2 >> 104 1 7.028 . 29.15471247060 . . . . . . . . . . . 27700 2 >> 104 2 104.627 . 26.62960605630 . . . . . . . . . . . 27700 2 >> 104 3 174.854 . 40.12759868390 . . . . . . . . . . . 27700 2 >> 105 1 8.038 . 25.68388902920 . . . . . . . . . . . 27700 2 >> 105 2 120.046 . 21.17264759740 . . . . . . . . . . . 27700 2 >> 105 3 178.092 . 41.27002104210 . . . . . . . . . . . 27700 2 >> 106 1 8.314 . 25.17688610570 . . . . . . . . . . . 27700 2 >> 106 2 121.943 . 24.00524557020 . . . . . . . . . . . 27700 2 >> 106 3 174.695 . 37.64300363470 . . . . . . . . . . . 27700 2 >> 107 1 7.874 . 25.62545421650 . . . . . . . . . . . 27700 2 >> 107 2 120.636 . 21.57500477490 . . . . . . . . . . . 27700 2 >> 107 3 180.270 . 44.31418406920 . . . . . . . . . . . 27700 2 >> 108 1 8.488 . 22.77151840490 . . . . . . . . . . . 27700 2 >> 108 2 109.478 . 18.97758861830 . . . . . . . . . . . 27700 2 >> 108 3 178.298 . 33.83941547850 . . . . . . . . . . . 27700 2 >> 109 1 8.683 . 26.68392503770 . . . . . . . . . . . 27700 2 >> 109 2 112.673 . 21.11230262920 . . . . . . . . . . . 27700 2 >> 109 3 175.263 . 36.74551577550 . . . . . . . . . . . 27700 2 >> 110 1 6.742 . 27.43028922050 . . . . . . . . . . . 27700 2 >> 110 2 117.569 . 25.59349758650 . . . . . . . . . . . 27700 2 >> 110 3 176.025 . 40.59183127560 . . . . . . . . . . . 27700 2 >> 111 1 8.704 . 30.21216110850 . . . . . . . . . . . 27700 2 >> 111 2 115.004 . 22.39891588860 . . . . . . . . . . . 27700 2 >> 111 3 177.124 . 42.10138833650 . . . . . . . . . . . 27700 2 >> 112 1 8.043 . 20.47399104370 . . . . . . . . . . . 27700 2 >> 112 2 117.075 . 23.04420245310 . . . . . . . . . . . 27700 2 >> 112 3 176.565 . 32.04871249460 . . . . . . . . . . . 27700 2 >> 113 1 8.368 . 23.47409906910 . . . . . . . . . . . 27700 2 >> 113 2 116.456 . 23.68329096090 . . . . . . . . . . . 27700 2 >> 113 3 174.362 . 33.77831537660 . . . . . . . . . . . 27700 2 >> 114 1 8.190 . 20.34229976010 . . . . . . . . . . . 27700 2 >> 114 2 122.319 . 67.17143893450 . . . . . . . . . . . 27700 2 >> 114 3 177.575 . 30.65398517050 . . . . . . . . . . . 27700 2 >> 115 1 8.005 . 28.20323016950 . . . . . . . . . . . 27700 2 >> 115 2 115.679 . 22.60603428160 . . . . . . . . . . . 27700 2 >> 115 3 177.004 . 40.32264900890 . . . . . . . . . . . 27700 2 >> 116 1 8.384 . 22.07643375160 . . . . . . . . . . . 27700 2 >> 116 2 110.161 . 21.59850573970 . . . . . . . . . . . 27700 2 >> 116 3 177.595 . 32.48057912330 . . . . . . . . . . . 27700 2 >> 117 1 8.351 . 22.33351285500 . . . . . . . . . . . 27700 2 >> 117 2 118.956 . 21.50837566590 . . . . . . . . . . . 27700 2 >> 117 3 177.294 . 31.60680494000 . . . . . . . . . . . 27700 2 >> 119 1 7.488 . 18.99080305560 . . . . . . . . . . . 27700 2 >> 119 2 105.024 . 59.91110424300 . . . . . . . . . . . 27700 2 >> 119 3 175.088 . 15.96037204980 . . . . . . . . . . . 27700 2 >> 121 1 7.970 . 25.38796695990 . . . . . . . . . . . 27700 2 >> 121 2 121.015 . 23.81637701060 . . . . . . . . . . . 27700 2 >> 121 3 180.634 . 39.77258786510 . . . . . . . . . . . 27700 2 >> 122 1 9.248 . 30.91150485890 . . . . . . . . . . . 27700 2 >> 122 2 128.479 . 25.56616587830 . . . . . . . . . . . 27700 2 >> 122 3 179.278 . 42.24324311830 . . . . . . . . . . . 27700 2 >> 124 1 8.362 . 17.22021119260 . . . . . . . . . . . 27700 2 >> 124 2 110.363 . 22.79920704720 . . . . . . . . . . . 27700 2 >> 124 3 173.403 . 79.68585551000 . . . . . . . . . . . 27700 2 >> 125 1 8.368 . 33.30443599600 . . . . . . . . . . . 27700 2 >> 125 2 110.254 . 24.56496451920 . . . . . . . . . . . 27700 2 >> 125 3 176.455 . 40.21486928390 . . . . . . . . . . . 27700 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.415 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 2 >> 1 2 1 . . 119.999 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 2 >> 1 3 2 . . 172.310 . . 1 1 1 113 SER C . . . . . . . . . . 254 . 27700 2 >> 2 1 1 . . 7.728 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 2 >> 2 2 1 . . 119.949 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 2 >> 2 3 2 . . 175.479 . . 1 1 1 101 THR C . . . . . . . . . . 301 . 27700 2 >> 3 1 1 . . 7.572 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 2 >> 3 2 1 . . 118.917 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 2 >> 3 3 1 . . 176.802 . . 1 1 1 52 VAL C . . . . . . . . . . 224 . 27700 2 >> 4 1 1 . . 7.475 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 2 >> 4 2 1 . . 117.837 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 2 >> 4 3 2 . . 176.642 . . 1 1 1 93 ILE C . . . . . . . . . . 546 . 27700 2 >> 5 1 1 . . 8.432 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 2 >> 5 2 1 . . 124.083 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 2 >> 5 3 2 . . 174.613 . . 1 1 1 39 SER C . . . . . . . . . . 318 . 27700 2 >> 6 1 1 . . 8.421 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 2 >> 6 2 1 . . 126.808 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 2 >> 6 3 2 . . 174.590 . . 1 1 1 27 SER C . . . . . . . . . . 509 . 27700 2 >> 7 1 1 . . 7.369 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 2 >> 7 2 1 . . 120.678 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 2 >> 7 3 2 . . 177.710 . . 1 1 1 76 LYS C . . . . . . . . . . 541 . 27700 2 >> 8 1 1 . . 9.105 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 2 >> 8 2 1 . . 119.851 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 2 >> 8 3 2 . . 174.912 . . 1 1 1 102 LEU C . . . . . . . . . . 223 . 27700 2 >> 9 1 1 . . 9.154 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 2 >> 9 2 1 . . 126.013 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 2 >> 9 3 2 . . 175.747 . . 1 1 1 81 ASP C . . . . . . . . . . 542 . 27700 2 >> 10 1 1 . . 7.242 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 2 >> 10 2 1 . . 117.765 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 2 >> 10 3 2 . . 175.290 . . 1 1 1 72 THR C . . . . . . . . . . 276 . 27700 2 >> 11 1 1 . . 8.514 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 2 >> 11 2 1 . . 126.699 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 2 >> 11 3 2 . . 174.564 . . 1 1 1 13 THR C . . . . . . . . . . 472 . 27700 2 >> 12 1 1 . . 8.508 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 2 >> 12 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 2 >> 13 1 1 . . 7.755 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 2 >> 13 2 1 . . 114.511 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 2 >> 13 3 2 . . 172.802 . . 1 1 1 112 GLY C . . . . . . . . . . 364 . 27700 2 >> 14 1 1 . . 8.206 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 2 >> 14 2 1 . . 119.573 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 2 >> 14 3 2 . . 178.594 . . 1 1 1 57 ARG C . . . . . . . . . . 533 . 27700 2 >> 15 1 1 . . 7.813 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 2 >> 15 2 1 . . 113.518 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 2 >> 15 3 2 . . 175.265 . . 1 1 1 99 ASN C . . . . . . . . . . 292 . 27700 2 >> 16 1 1 . . 8.583 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 2 >> 16 2 1 . . 117.663 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 2 >> 16 3 2 . . 177.670 . . 1 1 1 53 VAL C . . . . . . . . . . 225 . 27700 2 >> 17 1 1 . . 8.426 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 2 >> 17 2 1 . . 116.578 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 2 >> 17 3 1 . . 177.190 . . 1 . . . . . . . . . . . . . . . 267 . 27700 2 >> 18 1 1 . . 8.365 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 2 >> 18 2 1 . . 126.468 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 2 >> 18 3 2 . . 175.857 . . 1 1 1 7 GLU C . . . . . . . . . . 400 . 27700 2 >> 19 1 1 . . 7.939 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 2 >> 19 2 1 . . 114.430 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 2 >> 19 3 2 . . 175.464 . . 1 1 1 71 TYR C . . . . . . . . . . 539 . 27700 2 >> 20 1 1 . . 7.938 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 2 >> 20 2 1 . . 114.441 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 2 >> 21 1 1 . . 8.652 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 2 >> 21 2 1 . . 119.128 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 2 >> 21 3 2 . . 175.109 . . 1 1 1 60 GLY C . . . . . . . . . . 534 . 27700 2 >> 22 1 1 . . 8.307 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 2 >> 22 2 1 . . 123.980 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 2 >> 22 3 2 . . 177.423 . . 1 1 1 8 ALA C . . . . . . . . . . 274 . 27700 2 >> 23 1 1 . . 8.807 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 2 >> 23 2 1 . . 126.129 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 2 >> 23 3 2 . . 174.630 . . 1 1 1 109 GLY C . . . . . . . . . . 498 . 27700 2 >> 24 1 1 . . 7.689 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 2 >> 24 2 1 . . 114.259 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 2 >> 24 3 1 . . 176.951 . . 1 . . . . . . . . . . . . . . . 293 . 27700 2 >> 25 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 2 >> 25 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 2 >> 26 1 1 . . 8.254 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 2 >> 26 2 1 . . 119.116 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 2 >> 26 3 2 . . 179.239 . . 1 1 1 90 LYS C . . . . . . . . . . 487 . 27700 2 >> 27 1 1 . . 8.259 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 2 >> 27 2 1 . . 119.133 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 2 >> 27 3 1 . . 177.549 . . 1 . . . . . . . . . . . . . . . 298 . 27700 2 >> 28 1 1 . . 8.336 . . 1 1 1 55 THR H . . . . . . . . . . 47 . 27700 2 >> 28 2 1 . . 117.439 . . 1 1 1 55 THR N . . . . . . . . . . 48 . 27700 2 >> 28 3 2 . . 179.596 . . 1 1 1 54 GLU C . . . . . . . . . . 264 . 27700 2 >> 29 1 1 . . 8.811 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 2 >> 29 2 1 . . 119.057 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 2 >> 29 3 2 . . 175.805 . . 1 1 1 100 ASP C . . . . . . . . . . 261 . 27700 2 >> 30 1 1 . . 7.692 . . 1 . . . . . . . . . . . . . . . 51 . 27700 2 >> 30 2 1 . . 113.446 . . 1 . . . . . . . . . . . . . . . 52 . 27700 2 >> 30 3 1 . . 176.933 . . 1 . . . . . . . . . . . . . . . 304 . 27700 2 >> 31 1 1 . . 8.315 . . 1 1 1 26 GLY H . . . . . . . . . . 53 . 27700 2 >> 31 2 1 . . 109.379 . . 1 1 1 26 GLY N . . . . . . . . . . 54 . 27700 2 >> 31 3 2 . . 174.802 . . 1 1 1 25 GLY C . . . . . . . . . . 497 . 27700 2 >> 32 1 1 . . 7.430 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 2 >> 32 2 1 . . 117.250 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 2 >> 32 3 2 . . 178.032 . . 1 1 1 86 ARG C . . . . . . . . . . 419 . 27700 2 >> 33 1 1 . . 8.491 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 2 >> 33 2 1 . . 126.817 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 2 >> 33 3 2 . . 176.244 . . 1 1 1 23 LYS C . . . . . . . . . . 314 . 27700 2 >> 34 1 1 . . 8.485 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 2 >> 34 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 2 >> 35 1 1 . . 8.471 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 2 >> 35 2 1 . . 125.491 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 2 >> 35 3 2 . . 174.338 . . 1 1 1 22 THR C . . . . . . . . . . 395 . 27700 2 >> 36 1 1 . . 8.411 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 2 >> 36 2 1 . . 117.745 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 2 >> 36 3 2 . . 175.381 . . 1 1 1 38 ASN C . . . . . . . . . . 451 . 27700 2 >> 37 1 1 . . 8.098 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 2 >> 37 2 1 . . 123.836 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 2 >> 37 3 1 . . 174.785 . . 1 1 1 117 ASN C . . . . . . . . . . 371 . 27700 2 >> 38 1 1 . . 8.609 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 2 >> 38 2 1 . . 125.279 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 2 >> 38 3 1 . . 176.087 . . 1 1 1 3 VAL C . . . . . . . . . . 327 . 27700 2 >> 39 1 1 . . 7.182 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 2 >> 39 2 1 . . 125.085 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 2 >> 39 3 1 . . 176.119 . . 1 1 1 79 TRP C . . . . . . . . . . 330 . 27700 2 >> 40 1 1 . . 8.156 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 2 >> 40 2 1 . . 118.912 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 2 >> 40 3 2 . . 178.866 . . 1 1 1 58 ARG C . . . . . . . . . . 258 . 27700 2 >> 41 1 1 . . 7.092 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 2 >> 41 2 1 . . 127.533 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 2 >> 41 3 2 . . 175.020 . . 1 1 1 80 PHE C . . . . . . . . . . 331 . 27700 2 >> 42 1 1 . . 8.368 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 2 >> 42 2 1 . . 123.690 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 2 >> 42 3 1 . . 180.489 . . 1 1 1 51 LEU C . . . . . . . . . . 340 . 27700 2 >> 43 1 1 . . 8.287 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 2 >> 43 2 1 . . 123.684 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 2 >> 43 3 1 . . 176.661 . . 1 1 1 41 LYS C . . . . . . . . . . 342 . 27700 2 >> 44 1 1 . . 8.292 . . 1 1 1 92 SER H . . . . . . . . . . 81 . 27700 2 >> 44 2 1 . . 118.587 . . 1 1 1 92 SER N . . . . . . . . . . 82 . 27700 2 >> 44 3 1 . . 179.246 . . 1 1 1 91 TYR C . . . . . . . . . . 343 . 27700 2 >> 45 1 1 . . 8.435 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 2 >> 45 2 1 . . 123.795 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 2 >> 45 3 2 . . 176.709 . . 1 1 1 34 LYS C . . . . . . . . . . 231 . 27700 2 >> 46 1 1 . . 8.433 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 2 >> 46 2 1 . . 123.773 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 2 >> 46 3 1 . . 177.700 . . 1 . . . . . . . . . . . . . . . 345 . 27700 2 >> 47 1 1 . . 8.046 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 2 >> 47 2 1 . . 111.921 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 2 >> 47 3 1 . . 173.378 . . 1 1 1 107 GLY C . . . . . . . . . . 347 . 27700 2 >> 48 1 1 . . 8.627 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 2 >> 48 2 1 . . 113.502 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 2 >> 48 3 2 . . 171.983 . . 1 1 1 64 GLY C . . . . . . . . . . 535 . 27700 2 >> 49 1 1 . . 8.575 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 2 >> 49 2 1 . . 127.681 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 2 >> 49 3 2 . . 175.256 . . 1 1 1 104 GLN C . . . . . . . . . . 366 . 27700 2 >> 50 1 1 . . 8.568 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 2 >> 50 2 1 . . 127.696 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 2 >> 51 1 1 . . 8.234 . . 1 1 1 49 SER H . . . . . . . . . . 93 . 27700 2 >> 51 2 1 . . 118.396 . . 1 1 1 49 SER N . . . . . . . . . . 94 . 27700 2 >> 51 3 1 . . 177.578 . . 1 . . . . . . . . . . . . . . . 356 . 27700 2 >> 52 1 1 . . 7.310 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 2 >> 52 2 1 . . 111.424 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 2 >> 52 3 2 . . 177.247 . . 1 1 1 74 ALA C . . . . . . . . . . 448 . 27700 2 >> 53 1 1 . . 8.218 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 2 >> 53 2 1 . . 108.085 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 2 >> 53 3 2 . . 174.747 . . 1 1 1 111 ASN C . . . . . . . . . . 407 . 27700 2 >> 54 1 1 . . 8.529 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 2 >> 54 2 1 . . 124.076 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 2 >> 54 3 2 . . 176.497 . . 1 1 1 36 ARG C . . . . . . . . . . 524 . 27700 2 >> 55 1 1 . . 8.991 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 2 >> 55 2 1 . . 125.029 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 2 >> 55 3 2 . . 175.621 . . 1 1 1 103 LEU C . . . . . . . . . . 239 . 27700 2 >> 56 1 1 . . 8.448 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 2 >> 56 2 1 . . 123.470 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 2 >> 56 3 2 . . 176.700 . . 1 1 1 41 LYS C . . . . . . . . . . 342 . 27700 2 >> 57 1 1 . . 8.333 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 2 >> 57 2 1 . . 123.477 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 2 >> 57 3 2 . . 176.742 . . 1 1 1 40 LYS C . . . . . . . . . . 564 . 27700 2 >> 58 1 1 . . 8.180 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 2 >> 58 2 1 . . 121.926 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 2 >> 58 3 2 . . 177.184 . . 1 1 1 116 LEU C . . . . . . . . . . 445 . 27700 2 >> 59 1 1 . . 8.078 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 2 >> 59 2 1 . . 110.004 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 2 >> 59 3 2 . . 174.866 . . 1 1 1 84 ASN C . . . . . . . . . . 513 . 27700 2 >> 60 1 1 . . 9.395 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 2 >> 60 2 1 . . 121.672 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 2 >> 60 3 2 . . 174.564 . . 1 1 1 66 SER C . . . . . . . . . . 536 . 27700 2 >> 61 1 1 . . 8.466 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 2 >> 61 2 1 . . 120.514 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 2 >> 61 3 2 . . 178.499 . . 1 1 1 14 ALA C . . . . . . . . . . 249 . 27700 2 >> 62 1 1 . . 8.308 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 2 >> 62 2 1 . . 123.227 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 2 >> 62 3 1 . . 176.615 . . 1 1 1 20 LYS C . . . . . . . . . . 383 . 27700 2 >> 63 1 1 . . 8.348 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 2 >> 63 2 1 . . 118.918 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 2 >> 64 1 1 . . 8.351 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 2 >> 64 2 1 . . 118.851 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 2 >> 64 3 2 . . 176.692 . . 1 1 1 11 VAL C . . . . . . . . . . 390 . 27700 2 >> 65 1 1 . . 8.381 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 2 >> 65 2 1 . . 121.617 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 2 >> 65 3 1 . . 176.865 . . 1 1 1 10 PRO C . . . . . . . . . . 391 . 27700 2 >> 66 1 1 . . 8.391 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 2 >> 66 2 1 . . 120.511 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 2 >> 66 3 1 . . 176.401 . . 1 1 1 21 VAL C . . . . . . . . . . 396 . 27700 2 >> 67 1 1 . . 8.194 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 2 >> 67 2 1 . . 123.625 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 2 >> 67 3 2 . . 177.562 . . 1 1 1 28 ALA C . . . . . . . . . . 234 . 27700 2 >> 68 1 1 . . 8.430 . . 1 1 1 7 GLU H . . . . . . . . . . 125 . 27700 2 >> 68 2 1 . . 123.111 . . 1 1 1 7 GLU N . . . . . . . . . . 126 . 27700 2 >> 68 3 2 . . 176.371 . . 1 1 1 6 GLU C . . . . . . . . . . 412 . 27700 2 >> 69 1 1 . . 8.221 . . 1 1 1 47 LYS H . . . . . . . . . . 127 . 27700 2 >> 69 2 1 . . 121.676 . . 1 1 1 47 LYS N . . . . . . . . . . 128 . 27700 2 >> 69 3 1 . . 175.482 . . 1 . . . . . . . . . . . . . . . 402 . 27700 2 >> 70 1 1 . . 8.509 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 2 >> 70 2 1 . . 120.491 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 2 >> 70 3 1 . . 176.308 . . 1 1 1 42 LYS C . . . . . . . . . . 369 . 27700 2 >> 71 1 1 . . 8.468 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 2 >> 71 2 1 . . 123.077 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 2 >> 71 3 2 . . 179.959 . . 1 1 1 96 LEU C . . . . . . . . . . 547 . 27700 2 >> 72 1 1 . . 8.284 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 2 >> 72 2 1 . . 118.861 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 2 >> 72 3 2 . . 178.360 . . 1 1 1 82 GLN C . . . . . . . . . . 242 . 27700 2 >> 73 1 1 . . 8.281 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 2 >> 73 2 1 . . 118.865 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 2 >> 73 3 1 . . 179.246 . . 1 . . . . . . . . . . . . . . . 405 . 27700 2 >> 74 1 1 . . 8.127 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 2 >> 74 2 1 . . 116.340 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 2 >> 74 3 2 . . 177.689 . . 1 1 1 110 ALA C . . . . . . . . . . 287 . 27700 2 >> 75 1 1 . . 7.746 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 2 >> 75 2 1 . . 120.429 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 2 >> 75 3 1 . . 177.753 . . 1 1 1 50 GLN C . . . . . . . . . . 531 . 27700 2 >> 76 1 1 . . 8.409 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 2 >> 76 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 2 >> 77 1 1 . . 8.418 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 2 >> 77 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 2 >> 77 3 2 . . 177.290 . . 1 1 1 5 LEU C . . . . . . . . . . 422 . 27700 2 >> 78 1 1 . . 8.814 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 2 >> 78 2 1 . . 121.367 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 2 >> 78 3 2 . . 180.446 . . 1 1 1 88 TYR C . . . . . . . . . . 426 . 27700 2 >> 79 1 1 . . 7.492 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 2 >> 79 2 1 . . 105.028 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 2 >> 79 3 2 . . 179.479 . . 1 1 1 59 LEU C . . . . . . . . . . 335 . 27700 2 >> 80 1 1 . . 8.081 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 2 >> 80 2 1 . . 120.390 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 2 >> 80 3 2 . . 174.770 . . 1 1 1 16 GLY C . . . . . . . . . . 516 . 27700 2 >> 81 1 1 . . 8.979 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 2 >> 81 2 1 . . 122.480 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 2 >> 81 3 2 . . 175.147 . . 1 1 1 85 GLY C . . . . . . . . . . 544 . 27700 2 >> 82 1 1 . . 8.335 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 2 >> 82 2 1 . . 124.020 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 2 >> 82 3 2 . . 176.369 . . 1 1 1 4 GLU C . . . . . . . . . . 328 . 27700 2 >> 83 1 1 . . 7.436 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 2 >> 83 2 1 . . 121.345 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 2 >> 83 3 1 . . 176.095 . . 1 1 1 87 THR C . . . . . . . . . . 425 . 27700 2 >> 84 1 1 . . 8.391 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 2 >> 84 2 1 . . 124.468 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 2 >> 84 3 1 . . 174.945 . . 1 1 1 33 SER C . . . . . . . . . . 268 . 27700 2 >> 85 1 1 . . 9.319 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 2 >> 85 2 1 . . 120.237 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 2 >> 85 3 2 . . 177.425 . . 1 1 1 70 ILE C . . . . . . . . . . 538 . 27700 2 >> 86 1 1 . . 8.444 . . 1 1 1 46 GLY H . . . . . . . . . . 157 . 27700 2 >> 86 2 1 . . 109.834 . . 1 1 1 46 GLY N . . . . . . . . . . 158 . 27700 2 >> 86 3 1 . . 178.139 . . 1 . . . . . . . . . . . . . . . 432 . 27700 2 >> 87 1 1 . . 7.902 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 2 >> 87 2 1 . . 121.159 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 2 >> 87 3 1 . . 176.060 . . 1 . . . . . . . . . . . . . . . 436 . 27700 2 >> 88 1 1 . . 8.199 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 2 >> 88 2 1 . . 125.083 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 2 >> 88 3 2 . . 176.473 . . 1 1 1 17 MET C . . . . . . . . . . 417 . 27700 2 >> 89 1 1 . . 8.536 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 2 >> 89 2 1 . . 120.278 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 2 >> 89 3 2 . . 179.151 . . 1 1 1 69 LYS C . . . . . . . . . . 495 . 27700 2 >> 90 1 1 . . 9.089 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 2 >> 90 2 1 . . 122.300 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 2 >> 90 3 2 . . 175.634 . . 1 1 1 115 LYS C . . . . . . . . . . 475 . 27700 2 >> 91 1 1 . . 9.042 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 2 >> 91 2 1 . . 125.178 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 2 >> 91 3 2 . . 178.733 . . 1 1 1 73 GLU C . . . . . . . . . . 246 . 27700 2 >> 92 1 1 . . 8.631 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 2 >> 92 2 1 . . 121.090 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 2 >> 92 3 1 . . 176.479 . . 1 1 1 37 LYS C . . . . . . . . . . 551 . 27700 2 >> 93 1 1 . . 8.083 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 2 >> 93 2 1 . . 128.925 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 2 >> 93 3 1 . . 174.800 . . 1 1 1 118 ARG C . . . . . . . . . . 559 . 27700 2 >> 94 1 1 . . 8.592 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 2 >> 94 2 1 . . 120.170 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 2 >> 94 3 2 . . 177.741 . . 1 1 1 67 LEU C . . . . . . . . . . 537 . 27700 2 >> 95 1 1 . . 8.547 . . 1 1 1 93 ILE H . . . . . . . . . . 173 . 27700 2 >> 95 2 1 . . 122.189 . . 1 1 1 93 ILE N . . . . . . . . . . 174 . 27700 2 >> 95 3 1 . . 175.648 . . 1 1 1 92 SER C . . . . . . . . . . 460 . 27700 2 >> 96 1 1 . . 8.446 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 2 >> 96 2 1 . . 120.998 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 2 >> 96 3 1 . . 179.535 . . 1 1 1 56 ILE C . . . . . . . . . . 462 . 27700 2 >> 97 1 1 . . 8.331 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 2 >> 97 2 1 . . 120.182 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 2 >> 97 3 2 . . 180.258 . . 1 1 1 95 ALA C . . . . . . . . . . 469 . 27700 2 >> 98 1 1 . . 7.614 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 2 >> 98 2 1 . . 122.081 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 2 >> 98 3 2 . . 179.342 . . 1 1 1 94 LYS C . . . . . . . . . . 228 . 27700 2 >> 99 1 1 . . 8.179 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 2 >> 99 2 1 . . 121.042 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 2 >> 99 3 2 . . 177.903 . . 1 1 1 18 ALA C . . . . . . . . . . 439 . 27700 2 >> 100 1 1 . . 8.216 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 2 >> 100 2 1 . . 116.984 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 2 >> 100 3 2 . . 174.692 . . 1 1 1 12 THR C . . . . . . . . . . 387 . 27700 2 >> 101 1 1 . . 8.839 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 2 >> 101 2 1 . . 120.009 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 2 >> 101 3 1 . . 174.086 . . 1 1 1 114 PHE C . . . . . . . . . . 474 . 27700 2 >> 102 1 1 . . 8.780 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 2 >> 102 2 1 . . 121.933 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 2 >> 102 3 1 . . 173.674 . . 1 1 1 65 SER C . . . . . . . . . . 478 . 27700 2 >> 103 1 1 . . 7.938 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 2 >> 103 2 1 . . 120.994 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 2 >> 103 3 1 . . 176.039 . . 1 . . . . . . . . . . . . . . . 481 . 27700 2 >> 104 1 1 . . 7.028 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 2 >> 104 2 1 . . 104.627 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 2 >> 104 3 2 . . 174.854 . . 1 1 1 63 ASN C . . . . . . . . . . 502 . 27700 2 >> 105 1 1 . . 8.038 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 2 >> 105 2 1 . . 120.046 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 2 >> 105 3 1 . . 178.092 . . 1 1 1 89 LEU C . . . . . . . . . . 486 . 27700 2 >> 106 1 1 . . 8.314 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 2 >> 106 2 1 . . 121.943 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 2 >> 106 3 1 . . 174.695 . . 1 1 1 43 ASN C . . . . . . . . . . 491 . 27700 2 >> 107 1 1 . . 7.874 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 2 >> 107 2 1 . . 120.636 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 2 >> 107 3 2 . . 180.270 . . 1 1 1 68 ALA C . . . . . . . . . . 457 . 27700 2 >> 108 1 1 . . 8.488 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 2 >> 108 2 1 . . 109.478 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 2 >> 108 3 2 . . 178.298 . . 1 1 1 24 ALA C . . . . . . . . . . 311 . 27700 2 >> 109 1 1 . . 8.683 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 2 >> 109 2 1 . . 112.673 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 2 >> 109 3 2 . . 175.263 . . 1 1 1 108 THR C . . . . . . . . . . 348 . 27700 2 >> 110 1 1 . . 6.742 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 2 >> 110 2 1 . . 117.569 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 2 >> 110 3 1 . . 176.025 . . 1 1 1 75 LYS C . . . . . . . . . . 360 . 27700 2 >> 111 1 1 . . 8.704 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 2 >> 111 2 1 . . 115.004 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 2 >> 111 3 1 . . 177.124 . . 1 1 1 62 ARG C . . . . . . . . . . 501 . 27700 2 >> 112 1 1 . . 8.043 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 2 >> 112 2 1 . . 117.075 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 2 >> 112 3 1 . . 176.565 . . 1 1 1 30 LEU C . . . . . . . . . . 511 . 27700 2 >> 113 1 1 . . 8.368 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 2 >> 113 2 1 . . 116.456 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 2 >> 113 3 2 . . 174.362 . . 1 1 1 26 GLY C . . . . . . . . . . 307 . 27700 2 >> 114 1 1 . . 8.190 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 2 >> 114 2 1 . . 122.319 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 2 >> 114 3 2 . . 177.575 . . 1 1 1 29 ALA C . . . . . . . . . . 527 . 27700 2 >> 115 1 1 . . 8.005 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 2 >> 115 2 1 . . 115.679 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 2 >> 115 3 2 . . 177.004 . . 1 1 1 83 GLN C . . . . . . . . . . 543 . 27700 2 >> 116 1 1 . . 8.384 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 2 >> 116 2 1 . . 110.161 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 2 >> 116 3 2 . . 177.595 . . 1 1 1 15 GLU C . . . . . . . . . . 380 . 27700 2 >> 117 1 1 . . 8.351 . . 1 . . . . . . . . . . . . . . . 386 . 27700 2 >> 117 2 1 . . 118.956 . . 1 . . . . . . . . . . . . . . . 385 . 27700 2 >> 117 3 1 . . 177.294 . . 1 . . . . . . . . . . . . . . . 518 . 27700 2 >> 119 1 1 . . 7.488 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 2 >> 119 2 1 . . 105.024 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 2 >> 119 3 1 . . 175.088 . . 1 1 1 60 GLY C . . . . . . . . . . 534 . 27700 2 >> 121 1 1 . . 7.970 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 2 >> 121 2 1 . . 121.015 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 2 >> 121 3 1 . . 180.634 . . 1 1 1 97 VAL C . . . . . . . . . . 404 . 27700 2 >> 122 1 1 . . 9.248 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 2 >> 122 2 1 . . 128.479 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 2 >> 122 3 1 . . 179.278 . . 1 1 1 61 GLU C . . . . . . . . . . 279 . 27700 2 >> 124 1 1 . . 8.362 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 2 >> 124 2 1 . . 110.363 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 2 >> 124 3 1 . . 173.403 . . 1 1 1 107 GLY C . . . . . . . . . . 347 . 27700 2 >> 125 1 1 . . 8.368 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 2 >> 125 2 1 . . 110.254 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 2 >> 125 3 1 . . 176.455 . . 1 1 1 106 LYS C . . . . . . . . . . 554 . 27700 2 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCACB' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $NGH1x_low_ionic_strength _Sample_conditions_label $CondSet13 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3 >> _Spectral_peak_list.Entry_ID 27700 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength >> _Spectral_peak_list.Sample_condition_list_ID 3 >> _Spectral_peak_list.Sample_condition_list_label $CondSet13 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D HNCACB' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 5180.54496951 . . . . . . . 27700 3 >> 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 3 >> 3 . . C 13 13C . . 16722.40802680 . . . . . . . 27700 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27700 3 >> 2 1.0 . . 27700 3 >> 3 1.0 . . 27700 3 >> 4 1.0 . . 27700 3 >> 5 1.0 . . 27700 3 >> 6 1.0 . . 27700 3 >> 7 1.0 . . 27700 3 >> 8 1.0 . . 27700 3 >> 9 1.0 . . 27700 3 >> 10 1.0 . . 27700 3 >> 11 1.0 . . 27700 3 >> 12 1.0 . . 27700 3 >> 13 1.0 . . 27700 3 >> 14 1.0 . . 27700 3 >> 15 1.0 . . 27700 3 >> 16 1.0 . . 27700 3 >> 17 1.0 . . 27700 3 >> 18 1.0 . . 27700 3 >> 19 1.0 . . 27700 3 >> 20 1.0 . . 27700 3 >> 21 1.0 . . 27700 3 >> 22 1.0 . . 27700 3 >> 23 1.0 . . 27700 3 >> 24 1.0 . . 27700 3 >> 25 1.0 . . 27700 3 >> 26 1.0 . . 27700 3 >> 27 1.0 . . 27700 3 >> 28 1.0 . . 27700 3 >> 29 1.0 . . 27700 3 >> 30 1.0 . . 27700 3 >> 31 1.0 . . 27700 3 >> 32 1.0 . . 27700 3 >> 33 1.0 . . 27700 3 >> 34 1.0 . . 27700 3 >> 35 1.0 . . 27700 3 >> 36 1.0 . . 27700 3 >> 37 1.0 . . 27700 3 >> 38 1.0 . . 27700 3 >> 39 1.0 . . 27700 3 >> 40 1.0 . . 27700 3 >> 41 1.0 . . 27700 3 >> 42 1.0 . . 27700 3 >> 43 1.0 . . 27700 3 >> 44 1.0 . . 27700 3 >> 45 1.0 . . 27700 3 >> 46 1.0 . . 27700 3 >> 47 1.0 . . 27700 3 >> 48 1.0 . . 27700 3 >> 49 1.0 . . 27700 3 >> 50 1.0 . . 27700 3 >> 51 1.0 . . 27700 3 >> 52 1.0 . . 27700 3 >> 53 1.0 . . 27700 3 >> 54 1.0 . . 27700 3 >> 55 1.0 . . 27700 3 >> 56 1.0 . . 27700 3 >> 57 1.0 . . 27700 3 >> 58 1.0 . . 27700 3 >> 59 1.0 . . 27700 3 >> 60 1.0 . . 27700 3 >> 61 1.0 . . 27700 3 >> 62 1.0 . . 27700 3 >> 63 1.0 . . 27700 3 >> 64 1.0 . . 27700 3 >> 65 1.0 . . 27700 3 >> 66 1.0 . . 27700 3 >> 67 1.0 . . 27700 3 >> 68 1.0 . . 27700 3 >> 69 1.0 . . 27700 3 >> 70 1.0 . . 27700 3 >> 71 1.0 . . 27700 3 >> 72 1.0 . . 27700 3 >> 73 1.0 . . 27700 3 >> 74 1.0 . . 27700 3 >> 75 1.0 . . 27700 3 >> 76 1.0 . . 27700 3 >> 77 1.0 . . 27700 3 >> 78 1.0 . . 27700 3 >> 79 1.0 . . 27700 3 >> 80 1.0 . . 27700 3 >> 81 1.0 . . 27700 3 >> 82 1.0 . . 27700 3 >> 83 1.0 . . 27700 3 >> 84 1.0 . . 27700 3 >> 85 1.0 . . 27700 3 >> 86 1.0 . . 27700 3 >> 87 1.0 . . 27700 3 >> 88 1.0 . . 27700 3 >> 89 1.0 . . 27700 3 >> 90 1.0 . . 27700 3 >> 91 1.0 . . 27700 3 >> 92 1.0 . . 27700 3 >> 93 1.0 . . 27700 3 >> 94 1.0 . . 27700 3 >> 95 1.0 . . 27700 3 >> 96 1.0 . . 27700 3 >> 97 1.0 . . 27700 3 >> 98 1.0 . . 27700 3 >> 99 1.0 . . 27700 3 >> 100 1.0 . . 27700 3 >> 101 1.0 . . 27700 3 >> 102 1.0 . . 27700 3 >> 103 1.0 . . 27700 3 >> 104 1.0 . . 27700 3 >> 105 1.0 . . 27700 3 >> 106 1.0 . . 27700 3 >> 107 1.0 . . 27700 3 >> 108 1.0 . . 27700 3 >> 109 1.0 . . 27700 3 >> 110 1.0 . . 27700 3 >> 111 1.0 . . 27700 3 >> 112 1.0 . . 27700 3 >> 113 1.0 . . 27700 3 >> 114 1.0 . . 27700 3 >> 115 1.0 . . 27700 3 >> 116 1.0 . . 27700 3 >> 117 1.0 . . 27700 3 >> 118 1.0 . . 27700 3 >> 119 1.0 . . 27700 3 >> 120 1.0 . . 27700 3 >> 121 1.0 . . 27700 3 >> 122 1.0 . . 27700 3 >> 123 1.0 . . 27700 3 >> 124 1.0 . . 27700 3 >> 125 1.0 . . 27700 3 >> 126 1.0 . . 27700 3 >> 127 1.0 . . 27700 3 >> 128 1.0 . . 27700 3 >> 129 1.0 . . 27700 3 >> 130 1.0 . . 27700 3 >> 131 1.0 . . 27700 3 >> 132 1.0 . . 27700 3 >> 133 1.0 . . 27700 3 >> 134 1.0 . . 27700 3 >> 135 1.0 . . 27700 3 >> 136 1.0 . . 27700 3 >> 137 1.0 . . 27700 3 >> 138 1.0 . . 27700 3 >> 139 1.0 . . 27700 3 >> 140 1.0 . . 27700 3 >> 141 1.0 . . 27700 3 >> 142 1.0 . . 27700 3 >> 143 1.0 . . 27700 3 >> 144 1.0 . . 27700 3 >> 145 1.0 . . 27700 3 >> 146 1.0 . . 27700 3 >> 147 1.0 . . 27700 3 >> 148 1.0 . . 27700 3 >> 149 1.0 . . 27700 3 >> 150 1.0 . . 27700 3 >> 151 1.0 . . 27700 3 >> 152 1.0 . . 27700 3 >> 153 1.0 . . 27700 3 >> 154 1.0 . . 27700 3 >> 155 1.0 . . 27700 3 >> 156 1.0 . . 27700 3 >> 157 1.0 . . 27700 3 >> 158 1.0 . . 27700 3 >> 159 1.0 . . 27700 3 >> 160 1.0 . . 27700 3 >> 161 1.0 . . 27700 3 >> 162 1.0 . . 27700 3 >> 163 1.0 . . 27700 3 >> 164 1.0 . . 27700 3 >> 165 1.0 . . 27700 3 >> 166 1.0 . . 27700 3 >> 167 1.0 . . 27700 3 >> 168 1.0 . . 27700 3 >> 169 1.0 . . 27700 3 >> 170 1.0 . . 27700 3 >> 171 1.0 . . 27700 3 >> 172 1.0 . . 27700 3 >> 173 1.0 . . 27700 3 >> 174 1.0 . . 27700 3 >> 175 1.0 . . 27700 3 >> 176 1.0 . . 27700 3 >> 177 1.0 . . 27700 3 >> 178 1.0 . . 27700 3 >> 179 1.0 . . 27700 3 >> 180 1.0 . . 27700 3 >> 181 1.0 . . 27700 3 >> 182 1.0 . . 27700 3 >> 183 1.0 . . 27700 3 >> 184 1.0 . . 27700 3 >> 185 1.0 . . 27700 3 >> 186 1.0 . . 27700 3 >> 187 1.0 . . 27700 3 >> 188 1.0 . . 27700 3 >> 189 1.0 . . 27700 3 >> 190 1.0 . . 27700 3 >> 191 1.0 . . 27700 3 >> 192 1.0 . . 27700 3 >> 193 1.0 . . 27700 3 >> 194 1.0 . . 27700 3 >> 195 1.0 . . 27700 3 >> 196 1.0 . . 27700 3 >> 197 1.0 . . 27700 3 >> 198 1.0 . . 27700 3 >> 199 1.0 . . 27700 3 >> 200 1.0 . . 27700 3 >> 201 1.0 . . 27700 3 >> 202 1.0 . . 27700 3 >> 203 1.0 . . 27700 3 >> 204 1.0 . . 27700 3 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 -130812.0 . height 27700 3 >> 1 -2217118.0 . volume 27700 3 >> 2 93896.0 . height 27700 3 >> 2 1299342.0 . volume 27700 3 >> 3 -266114.0 . height 27700 3 >> 3 -4075874.0 . volume 27700 3 >> 4 200134.0 . height 27700 3 >> 4 2853560.0 . volume 27700 3 >> 5 138976.0 . height 27700 3 >> 5 2195766.0 . volume 27700 3 >> 6 -244890.0 . height 27700 3 >> 6 -3698482.0 . volume 27700 3 >> 7 217890.0 . height 27700 3 >> 7 2961478.0 . volume 27700 3 >> 8 -349094.0 . height 27700 3 >> 8 -4505960.0 . volume 27700 3 >> 9 88234.0 . height 27700 3 >> 9 -716880.0 . volume 27700 3 >> 10 989598.0 . height 27700 3 >> 10 15223842.0 . volume 27700 3 >> 11 -4508824.0 . height 27700 3 >> 11 -52000132.0 . volume 27700 3 >> 12 3559416.0 . height 27700 3 >> 12 41882240.0 . volume 27700 3 >> 13 -460254.0 . height 27700 3 >> 13 -6399566.0 . volume 27700 3 >> 14 299316.0 . height 27700 3 >> 14 4231120.0 . volume 27700 3 >> 15 152574.0 . height 27700 3 >> 15 2262028.0 . volume 27700 3 >> 16 -231634.0 . height 27700 3 >> 16 -3327402.0 . volume 27700 3 >> 17 -126126.0 . height 27700 3 >> 17 -1878170.0 . volume 27700 3 >> 18 72584.0 . height 27700 3 >> 18 986504.0 . volume 27700 3 >> 19 -281524.0 . height 27700 3 >> 19 -3896320.0 . volume 27700 3 >> 20 162100.0 . height 27700 3 >> 20 2402910.0 . volume 27700 3 >> 21 -3390294.0 . height 27700 3 >> 21 -44952890.0 . volume 27700 3 >> 22 3676030.0 . height 27700 3 >> 22 45180922.0 . volume 27700 3 >> 23 -273588.0 . height 27700 3 >> 23 -3566176.0 . volume 27700 3 >> 24 325102.0 . height 27700 3 >> 24 4026072.0 . volume 27700 3 >> 25 -468998.0 . height 27700 3 >> 25 -6029716.0 . volume 27700 3 >> 26 207880.0 . height 27700 3 >> 26 3293154.0 . volume 27700 3 >> 27 388682.0 . height 27700 3 >> 27 5375212.0 . volume 27700 3 >> 28 -271474.0 . height 27700 3 >> 28 -3628312.0 . volume 27700 3 >> 29 -322860.0 . height 27700 3 >> 29 -4331900.0 . volume 27700 3 >> 30 229936.0 . height 27700 3 >> 30 3024872.0 . volume 27700 3 >> 31 -1495210.0 . height 27700 3 >> 31 -21435106.0 . volume 27700 3 >> 32 -4107214.0 . height 27700 3 >> 32 -44845918.0 . volume 27700 3 >> 33 3259366.0 . height 27700 3 >> 33 36706850.0 . volume 27700 3 >> 34 275972.0 . height 27700 3 >> 34 3921320.0 . volume 27700 3 >> 35 -280320.0 . height 27700 3 >> 35 -3755358.0 . volume 27700 3 >> 36 -355280.0 . height 27700 3 >> 36 -4682128.0 . volume 27700 3 >> 37 242864.0 . height 27700 3 >> 37 3139122.0 . volume 27700 3 >> 38 1660034.0 . height 27700 3 >> 38 27696022.0 . volume 27700 3 >> 39 -3381676.0 . height 27700 3 >> 39 -44664786.0 . volume 27700 3 >> 40 -224096.0 . height 27700 3 >> 40 -2954860.0 . volume 27700 3 >> 41 188926.0 . height 27700 3 >> 41 2445348.0 . volume 27700 3 >> 42 262696.0 . height 27700 3 >> 42 4352040.0 . volume 27700 3 >> 43 -294460.0 . height 27700 3 >> 43 -4512020.0 . volume 27700 3 >> 44 183876.0 . height 27700 3 >> 44 2508980.0 . volume 27700 3 >> 45 -209430.0 . height 27700 3 >> 45 -3408548.0 . volume 27700 3 >> 46 204874.0 . height 27700 3 >> 46 3183278.0 . volume 27700 3 >> 47 -201936.0 . height 27700 3 >> 47 -3078606.0 . volume 27700 3 >> 48 238544.0 . height 27700 3 >> 48 3519790.0 . volume 27700 3 >> 49 -202580.0 . height 27700 3 >> 49 -3031398.0 . volume 27700 3 >> 50 -5239616.0 . height 27700 3 >> 50 -59436420.0 . volume 27700 3 >> 51 3747330.0 . height 27700 3 >> 51 45893482.0 . volume 27700 3 >> 52 2407586.0 . height 27700 3 >> 52 31805456.0 . volume 27700 3 >> 53 -3319544.0 . height 27700 3 >> 53 -42892692.0 . volume 27700 3 >> 54 462838.0 . height 27700 3 >> 54 6264942.0 . volume 27700 3 >> 55 -452490.0 . height 27700 3 >> 55 -6171610.0 . volume 27700 3 >> 56 1470726.0 . height 27700 3 >> 56 18757204.0 . volume 27700 3 >> 57 -1916840.0 . height 27700 3 >> 57 -24049290.0 . volume 27700 3 >> 58 -4802032.0 . height 27700 3 >> 58 -56359558.0 . volume 27700 3 >> 59 3394176.0 . height 27700 3 >> 59 40479010.0 . volume 27700 3 >> 60 -239598.0 . height 27700 3 >> 60 -3536838.0 . volume 27700 3 >> 61 146016.0 . height 27700 3 >> 61 2138732.0 . volume 27700 3 >> 62 -237184.0 . height 27700 3 >> 62 -3446304.0 . volume 27700 3 >> 63 144226.0 . height 27700 3 >> 63 2104434.0 . volume 27700 3 >> 64 -87512.0 . height 27700 3 >> 64 -1285468.0 . volume 27700 3 >> 65 90330.0 . height 27700 3 >> 65 1347798.0 . volume 27700 3 >> 66 -227750.0 . height 27700 3 >> 66 -3270706.0 . volume 27700 3 >> 67 1823374.0 . height 27700 3 >> 67 23096006.0 . volume 27700 3 >> 68 360258.0 . height 27700 3 >> 68 4920820.0 . volume 27700 3 >> 69 -360900.0 . height 27700 3 >> 69 -4823002.0 . volume 27700 3 >> 70 133300.0 . height 27700 3 >> 70 1953418.0 . volume 27700 3 >> 71 -151990.0 . height 27700 3 >> 71 -2075040.0 . volume 27700 3 >> 72 114260.0 . height 27700 3 >> 72 1607680.0 . volume 27700 3 >> 73 -164102.0 . height 27700 3 >> 73 -2110938.0 . volume 27700 3 >> 74 -111956.0 . height 27700 3 >> 74 -1434446.0 . volume 27700 3 >> 75 197850.0 . height 27700 3 >> 75 2790028.0 . volume 27700 3 >> 76 -264000.0 . height 27700 3 >> 76 -4022864.0 . volume 27700 3 >> 77 -760612.0 . height 27700 3 >> 77 -9793412.0 . volume 27700 3 >> 78 1299554.0 . height 27700 3 >> 78 17570460.0 . volume 27700 3 >> 79 -560690.0 . height 27700 3 >> 79 -13802972.0 . volume 27700 3 >> 80 -252558.0 . height 27700 3 >> 80 -3518970.0 . volume 27700 3 >> 81 150288.0 . height 27700 3 >> 81 2072914.0 . volume 27700 3 >> 82 -4329314.0 . height 27700 3 >> 82 -52692926.0 . volume 27700 3 >> 83 3102902.0 . height 27700 3 >> 83 39130830.0 . volume 27700 3 >> 84 -160674.0 . height 27700 3 >> 84 -2301032.0 . volume 27700 3 >> 85 -128334.0 . height 27700 3 >> 85 -1818686.0 . volume 27700 3 >> 86 73586.0 . height 27700 3 >> 86 970292.0 . volume 27700 3 >> 87 3220448.0 . height 27700 3 >> 87 35709556.0 . volume 27700 3 >> 88 -4303862.0 . height 27700 3 >> 88 -48048220.0 . volume 27700 3 >> 89 -1972786.0 . height 27700 3 >> 89 -32953988.0 . volume 27700 3 >> 90 3242836.0 . height 27700 3 >> 90 37559854.0 . volume 27700 3 >> 91 -1806494.0 . height 27700 3 >> 91 -34357126.0 . volume 27700 3 >> 92 -2483562.0 . height 27700 3 >> 92 -35043090.0 . volume 27700 3 >> 93 1544736.0 . height 27700 3 >> 93 22664330.0 . volume 27700 3 >> 94 3643210.0 . height 27700 3 >> 94 44124698.0 . volume 27700 3 >> 95 -4685032.0 . height 27700 3 >> 95 -57342502.0 . volume 27700 3 >> 96 678562.0 . height 27700 3 >> 96 8517754.0 . volume 27700 3 >> 97 -722520.0 . height 27700 3 >> 97 -9416556.0 . volume 27700 3 >> 98 239424.0 . height 27700 3 >> 98 3153618.0 . volume 27700 3 >> 99 -372958.0 . height 27700 3 >> 99 -5422670.0 . volume 27700 3 >> 100 950130.0 . height 27700 3 >> 100 12478670.0 . volume 27700 3 >> 101 -1254590.0 . height 27700 3 >> 101 -16431294.0 . volume 27700 3 >> 102 133252.0 . height 27700 3 >> 102 1910184.0 . volume 27700 3 >> 103 -204710.0 . height 27700 3 >> 103 -3009344.0 . volume 27700 3 >> 104 1918094.0 . height 27700 3 >> 104 35427526.0 . volume 27700 3 >> 105 -3301528.0 . height 27700 3 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178 -1628574.0 . height 27700 3 >> 178 -26385878.0 . volume 27700 3 >> 179 1249640.0 . height 27700 3 >> 179 18635404.0 . volume 27700 3 >> 180 5045772.0 . height 27700 3 >> 180 75558770.0 . volume 27700 3 >> 181 -7506758.0 . height 27700 3 >> 181 -90947532.0 . volume 27700 3 >> 182 6607868.0 . height 27700 3 >> 182 77771804.0 . volume 27700 3 >> 183 2404116.0 . height 27700 3 >> 183 36750056.0 . volume 27700 3 >> 184 -2808816.0 . height 27700 3 >> 184 -40258990.0 . volume 27700 3 >> 185 -1433480.0 . height 27700 3 >> 185 -27244726.0 . volume 27700 3 >> 186 138296.0 . height 27700 3 >> 186 2096344.0 . volume 27700 3 >> 187 52014.0 . height 27700 3 >> 187 803058.0 . volume 27700 3 >> 188 -16256.0 . height 27700 3 >> 188 -110966.0 . volume 27700 3 >> 189 -19806.0 . height 27700 3 >> 189 -329816.0 . volume 27700 3 >> 190 11900.0 . height 27700 3 >> 190 349632.0 . volume 27700 3 >> 191 294.0 . height 27700 3 >> 191 -66414.0 . volume 27700 3 >> 192 -202530.0 . height 27700 3 >> 192 -2630250.0 . volume 27700 3 >> 193 -252196.0 . height 27700 3 >> 193 -3272222.0 . volume 27700 3 >> 194 129366.0 . height 27700 3 >> 194 1899708.0 . volume 27700 3 >> 195 -5267496.0 . height 27700 3 >> 195 -72716840.0 . volume 27700 3 >> 196 4080766.0 . height 27700 3 >> 196 54713628.0 . volume 27700 3 >> 197 -61376.0 . height 27700 3 >> 197 -892396.0 . volume 27700 3 >> 198 73086.0 . height 27700 3 >> 198 1064850.0 . volume 27700 3 >> 199 -259360.0 . height 27700 3 >> 199 -5598888.0 . volume 27700 3 >> 200 186336.0 . height 27700 3 >> 200 6060896.0 . volume 27700 3 >> 201 -271692.0 . height 27700 3 >> 201 -9329666.0 . volume 27700 3 >> 202 4733628.0 . height 27700 3 >> 202 53759438.0 . volume 27700 3 >> 203 -6273898.0 . height 27700 3 >> 203 -72255316.0 . volume 27700 3 >> 204 1025998.0 . height 27700 3 >> 204 12952030.0 . volume 27700 3 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.408 . 31.280683399000 . . . . . . . . . . . 27700 3 >> 1 2 119.995 . 29.216433866100 . . . . . . . . . . . 27700 3 >> 1 3 57.643 . 247.076203592000 . . . . . . . . . . . 27700 3 >> 2 1 8.410 . 32.135399013000 . . . . . . . . . . . 27700 3 >> 2 2 119.980 . 29.280910872100 . . . . . . . . . . . 27700 3 >> 2 3 42.981 . 160.515408053000 . . . . . . . . . . . 27700 3 >> 3 1 7.727 . 27.163499375700 . . . . . . . . . . . 27700 3 >> 3 2 119.956 . 26.322027495100 . . . . . . . . . . . 27700 3 >> 3 3 51.934 . 181.765759669000 . . . . . . . . . . . 27700 3 >> 4 1 7.724 . 26.412876095700 . . . . . . . . . . . 27700 3 >> 4 2 119.956 . 24.677218211900 . . . . . . . . . . . 27700 3 >> 4 3 45.635 . 176.103816782000 . . . . . . . . . . . 27700 3 >> 5 1 7.571 . 27.499797685800 . . . . . . . . . . . 27700 3 >> 5 2 118.916 . 27.184848631100 . . . . . . . . . . . 27700 3 >> 5 3 31.999 . 256.915953646000 . . . . . . . . . . . 27700 3 >> 6 1 7.566 . 26.054430480400 . . . . . . . . . . . 27700 3 >> 6 2 118.916 . 27.368724311700 . . . . . . . . . . . 27700 3 >> 6 3 67.855 . 193.376455419000 . . . . . . . . . . . 27700 3 >> 7 1 7.470 . 24.691178667800 . . . . . . . . . . . 27700 3 >> 7 2 117.838 . 23.684668306800 . . . . . . . . . . . 27700 3 >> 7 3 32.168 . 168.399069222000 . . . . . . . . . . . 27700 3 >> 8 1 7.470 . 25.966522715400 . . . . . . . . . . . 27700 3 >> 8 2 117.840 . 25.025170225400 . . . . . . . . . . . 27700 3 >> 8 3 60.019 . 151.903134923000 . . . . . . . . . . . 27700 3 >> 9 1 8.430 . 11.062067819800 . . . . . . . . . . . 27700 3 >> 9 2 124.075 . 6.151915560700 . . . . . . . . . . . 27700 3 >> 9 3 56.422 . 160.742164854000 . . . . . . . . . . . 27700 3 >> 10 1 8.427 . 25.533798446000 . . . . . . . . . . . 27700 3 >> 10 2 124.042 . 56.408857899800 . . . . . . . . . . . 27700 3 >> 10 3 32.867 . 163.709439562000 . . . . . . . . . . . 27700 3 >> 11 1 8.415 . 22.903209688500 . . . . . . . . . . . 27700 3 >> 11 2 126.800 . 22.786294429200 . . . . . . . . . . . 27700 3 >> 11 3 52.565 . 147.456708162000 . . . . . . . . . . . 27700 3 >> 12 1 8.415 . 22.602687794300 . . . . . . . . . . . 27700 3 >> 12 2 126.801 . 22.839279205100 . . . . . . . . . . . 27700 3 >> 12 3 19.025 . 149.340533891000 . . . . . . . . . . . 27700 3 >> 13 1 7.364 . 25.090852343500 . . . . . . . . . . . 27700 3 >> 13 2 120.667 . 26.455199628900 . . . . . . . . . . . 27700 3 >> 13 3 60.474 . 156.912965121000 . . . . . . . . . . . 27700 3 >> 14 1 7.364 . 25.030543528000 . . . . . . . . . . . 27700 3 >> 14 2 120.680 . 25.726841888600 . . . . . . . . . . . 27700 3 >> 14 3 31.249 . 175.113063991000 . . . . . . . . . . . 27700 3 >> 15 1 9.100 . 28.523173546600 . . . . . . . . . . . 27700 3 >> 15 2 119.849 . 26.211925905500 . . . . . . . . . . . 27700 3 >> 15 3 44.503 . 187.653462624000 . . . . . . . . . . . 27700 3 >> 16 1 9.100 . 26.714249809300 . . . . . . . . . . . 27700 3 >> 16 2 119.829 . 25.385948772900 . . . . . . . . . . . 27700 3 >> 16 3 53.319 . 160.330015680000 . . . . . . . . . . . 27700 3 >> 17 1 9.149 . 26.071126141200 . . . . . . . . . . . 27700 3 >> 17 2 126.015 . 27.343071243900 . . . . . . . . . . . 27700 3 >> 17 3 58.016 . 196.278693285000 . . . . . . . . . . . 27700 3 >> 18 1 9.148 . 25.845053265000 . . . . . . . . . . . 27700 3 >> 18 2 126.007 . 25.392577250100 . . . . . . . . . . . 27700 3 >> 18 3 27.395 . 178.654457016000 . . . . . . . . . . . 27700 3 >> 19 1 7.236 . 28.406474285000 . . . . . . . . . . . 27700 3 >> 19 2 117.754 . 26.406476017000 . . . . . . . . . . . 27700 3 >> 19 3 57.294 . 151.025511349000 . . . . . . . . . . . 27700 3 >> 20 1 7.235 . 28.663042296700 . . . . . . . . . . . 27700 3 >> 20 2 117.743 . 27.611653698700 . . . . . . . . . . . 27700 3 >> 20 3 30.051 . 176.782592084000 . . . . . . . . . . . 27700 3 >> 21 1 8.513 . 22.437775553000 . . . . . . . . . . . 27700 3 >> 21 2 126.700 . 21.960231212400 . . . . . . . . . . . 27700 3 >> 21 3 53.223 . 184.288491373000 . . . . . . . . . . . 27700 3 >> 22 1 8.508 . 41.222779034800 . . . . . . . . . . . 27700 3 >> 22 2 126.703 . 22.496922659400 . . . . . . . . . . . 27700 3 >> 22 3 18.868 . 154.298284779000 . . . . . . . . . . . 27700 3 >> 23 1 7.748 . 27.047651933500 . . . . . . . . . . . 27700 3 >> 23 2 114.507 . 23.532299414200 . . . . . . . . . . . 27700 3 >> 23 3 56.758 . 155.668294549000 . . . . . . . . . . . 27700 3 >> 24 1 7.749 . 28.714492190200 . . . . . . . . . . . 27700 3 >> 24 2 114.505 . 23.651267668200 . . . . . . . . . . . 27700 3 >> 24 3 65.163 . 143.627259245000 . . . . . . . . . . . 27700 3 >> 25 1 8.200 . 23.624700744000 . . . . . . . . . . . 27700 3 >> 25 2 119.567 . 23.642228835600 . . . . . . . . . . . 27700 3 >> 25 3 59.044 . 171.408954273000 . . . . . . . . . . . 27700 3 >> 26 1 8.200 . 23.071018115800 . . . . . . . . . . . 27700 3 >> 26 2 119.569 . 22.962594707200 . . . . . . . . . . . 27700 3 >> 26 3 30.160 . 224.945736569000 . . . . . . . . . . . 27700 3 >> 27 1 7.808 . 25.556627206700 . . . . . . . . . . . 27700 3 >> 27 2 113.504 . 25.033950805700 . . . . . . . . . . . 27700 3 >> 27 3 39.840 . 163.223033765000 . . . . . . . . . . . 27700 3 >> 28 1 7.808 . 24.271061325900 . . . . . . . . . . . 27700 3 >> 28 2 113.503 . 24.139364629300 . . . . . . . . . . . 27700 3 >> 28 3 56.345 . 170.648696032000 . . . . . . . . . . . 27700 3 >> 29 1 8.577 . 26.107584012700 . . . . . . . . . . . 27700 3 >> 29 2 117.657 . 25.290481483600 . . . . . . . . . . . 27700 3 >> 29 3 58.819 . 152.585398792000 . . . . . . . . . . . 27700 3 >> 30 1 8.578 . 24.946213404600 . . . . . . . . . . . 27700 3 >> 30 2 117.662 . 24.108374346100 . . . . . . . . . . . 27700 3 >> 30 3 29.373 . 165.961059838000 . . . . . . . . . . . 27700 3 >> 31 1 8.415 . 28.157572648100 . . . . . . . . . . . 27700 3 >> 31 2 116.582 . 26.576233901800 . . . . . . . . . . . 27700 3 >> 31 3 58.578 . 149.404823182000 . . . . . . . . . . . 27700 3 >> 32 1 8.359 . 20.778772035000 . . . . . . . . . . . 27700 3 >> 32 2 126.465 . 21.525850742300 . . . . . . . . . . . 27700 3 >> 32 3 52.070 . 147.519003986000 . . . . . . . . . . . 27700 3 >> 33 1 8.359 . 20.520330020600 . . . . . . . . . . . 27700 3 >> 33 2 126.465 . 21.513712881300 . . . . . . . . . . . 27700 3 >> 33 3 19.169 . 152.701518209000 . . . . . . . . . . . 27700 3 >> 34 1 7.933 . 25.466675075100 . . . . . . . . . . . 27700 3 >> 34 2 114.438 . 25.772208219900 . . . . . . . . . . . 27700 3 >> 34 3 68.708 . 174.372366639000 . . . . . . . . . . . 27700 3 >> 35 1 7.932 . 25.228165635200 . . . . . . . . . . . 27700 3 >> 35 2 114.433 . 26.015998448100 . . . . . . . . . . . 27700 3 >> 35 3 67.127 . 158.648775971000 . . . . . . . . . . . 27700 3 >> 36 1 8.646 . 25.565656492600 . . . . . . . . . . . 27700 3 >> 36 2 119.125 . 25.138112591000 . . . . . . . . . . . 27700 3 >> 36 3 57.798 . 158.590716263000 . . . . . . . . . . . 27700 3 >> 37 1 8.646 . 25.667363732300 . . . . . . . . . . . 27700 3 >> 37 2 119.127 . 23.918472777100 . . . . . . . . . . . 27700 3 >> 37 3 30.126 . 156.950591799000 . . . . . . . . . . . 27700 3 >> 38 1 8.300 . 22.329594485600 . . . . . . . . . . . 27700 3 >> 38 2 123.983 . 24.427143842900 . . . . . . . . . . . 27700 3 >> 38 3 41.551 . 218.909520369000 . . . . . . . . . . . 27700 3 >> 39 1 8.301 . 20.451162283000 . . . . . . . . . . . 27700 3 >> 39 2 123.973 . 23.875947221700 . . . . . . . . . . . 27700 3 >> 39 3 53.001 . 162.342918358000 . . . . . . . . . . . 27700 3 >> 40 1 8.801 . 29.022169367600 . . . . . . . . . . . 27700 3 >> 40 2 126.125 . 25.289749768600 . . . . . . . . . . . 27700 3 >> 40 3 53.106 . 154.148774801000 . . . . . . . . . . . 27700 3 >> 41 1 8.801 . 28.606140758900 . . . . . . . . . . . 27700 3 >> 41 2 126.127 . 24.232464605200 . . . . . . . . . . . 27700 3 >> 41 3 19.008 . 151.658935292000 . . . . . . . . . . . 27700 3 >> 42 1 7.679 . 28.263709348900 . . . . . . . . . . . 27700 3 >> 42 2 114.259 . 27.948414776700 . . . . . . . . . . . 27700 3 >> 42 3 37.648 . 204.959242639000 . . . . . . . . . . . 27700 3 >> 43 1 7.679 . 24.047543908000 . . . . . . . . . . . 27700 3 >> 43 2 114.239 . 27.287116565800 . . . . . . . . . . . 27700 3 >> 43 3 51.520 . 171.060845206000 . . . . . . . . . . . 27700 3 >> 44 1 8.249 . 24.871594022700 . . . . . . . . . . . 27700 3 >> 44 2 119.114 . 25.115902888000 . . . . . . . . . . . 27700 3 >> 44 3 37.363 . 163.139308177000 . . . . . . . . . . . 27700 3 >> 45 1 8.249 . 25.570937773100 . . . . . . . . . . . 27700 3 >> 45 2 119.125 . 25.004251784200 . . . . . . . . . . . 27700 3 >> 45 3 60.540 . 224.848056717000 . . . . . . . . . . . 27700 3 >> 46 1 8.805 . 26.078792516100 . . . . . . . . . . . 27700 3 >> 46 2 119.049 . 26.246359553500 . . . . . . . . . . . 27700 3 >> 46 3 68.189 . 204.109029228000 . . . . . . . . . . . 27700 3 >> 47 1 8.804 . 26.678643757300 . . . . . . . . . . . 27700 3 >> 47 2 119.039 . 26.296546595600 . . . . . . . . . . . 27700 3 >> 47 3 67.062 . 186.384122906000 . . . . . . . . . . . 27700 3 >> 48 1 7.425 . 25.939605221500 . . . . . . . . . . . 27700 3 >> 48 2 117.253 . 24.912227859800 . . . . . . . . . . . 27700 3 >> 48 3 67.908 . 193.374337361000 . . . . . . . . . . . 27700 3 >> 49 1 7.423 . 25.731761281100 . . . . . . . . . . . 27700 3 >> 49 2 117.248 . 25.363997322200 . . . . . . . . . . . 27700 3 >> 49 3 66.640 . 185.070926928000 . . . . . . . . . . . 27700 3 >> 50 1 8.482 . 22.084270490400 . . . . . . . . . . . 27700 3 >> 50 2 126.811 . 21.806958436600 . . . . . . . . . . . 27700 3 >> 50 3 52.615 . 149.034536802000 . . . . . . . . . . . 27700 3 >> 51 1 8.486 . 22.450893572200 . . . . . . . . . . . 27700 3 >> 51 2 126.811 . 21.705895679500 . . . . . . . . . . . 27700 3 >> 51 3 19.131 . 163.730370959000 . . . . . . . . . . . 27700 3 >> 52 1 8.466 . 22.316817194200 . . . . . . . . . . . 27700 3 >> 52 2 125.481 . 24.528550936400 . . . . . . . . . . . 27700 3 >> 52 3 33.081 . 162.816366623000 . . . . . . . . . . . 27700 3 >> 53 1 8.465 . 22.638975301900 . . . . . . . . . . . 27700 3 >> 53 2 125.479 . 24.625912076300 . . . . . . . . . . . 27700 3 >> 53 3 56.246 . 153.013495697000 . . . . . . . . . . . 27700 3 >> 54 1 8.405 . 28.223844199600 . . . . . . . . . . . 27700 3 >> 54 2 117.751 . 26.012210746800 . . . . . . . . . . . 27700 3 >> 54 3 63.769 . 152.168515135000 . . . . . . . . . . . 27700 3 >> 55 1 8.405 . 29.107862402000 . . . . . . . . . . . 27700 3 >> 55 2 117.750 . 26.625990523300 . . . . . . . . . . . 27700 3 >> 55 3 58.558 . 153.613529078000 . . . . . . . . . . . 27700 3 >> 56 1 8.092 . 24.677719920900 . . . . . . . . . . . 27700 3 >> 56 2 123.828 . 24.035288928100 . . . . . . . . . . . 27700 3 >> 56 3 30.991 . 158.483567445000 . . . . . . . . . . . 27700 3 >> 57 1 8.092 . 24.695437765000 . . . . . . . . . . . 27700 3 >> 57 2 123.829 . 24.245248097100 . . . . . . . . . . . 27700 3 >> 57 3 55.624 . 149.282225000000 . . . . . . . . . . . 27700 3 >> 58 1 8.604 . 20.938743723600 . . . . . . . . . . . 27700 3 >> 58 2 125.279 . 22.525545629300 . . . . . . . . . . . 27700 3 >> 58 3 56.508 . 154.516569348000 . . . . . . . . . . . 27700 3 >> 59 1 8.604 . 20.679960981400 . . . . . . . . . . . 27700 3 >> 59 2 125.280 . 22.242931462900 . . . . . . . . . . . 27700 3 >> 59 3 30.020 . 161.962166279000 . . . . . . . . . . . 27700 3 >> 60 1 7.176 . 24.742969289100 . . . . . . . . . . . 27700 3 >> 60 2 125.080 . 27.616560493600 . . . . . . . . . . . 27700 3 >> 60 3 60.410 . 173.242694159000 . . . . . . . . . . . 27700 3 >> 61 1 7.177 . 25.070408677200 . . . . . . . . . . . 27700 3 >> 61 2 125.078 . 26.699936782500 . . . . . . . . . . . 27700 3 >> 61 3 39.882 . 168.793775565000 . . . . . . . . . . . 27700 3 >> 62 1 8.152 . 26.343197266500 . . . . . . . . . . . 27700 3 >> 62 2 118.928 . 26.704154904400 . . . . . . . . . . . 27700 3 >> 62 3 57.231 . 167.612646734000 . . . . . . . . . . . 27700 3 >> 63 1 8.151 . 27.134707879000 . . . . . . . . . . . 27700 3 >> 63 2 118.918 . 27.151878413100 . . . . . . . . . . . 27700 3 >> 63 3 42.260 . 172.356598353000 . . . . . . . . . . . 27700 3 >> 64 1 7.086 . 27.091946543700 . . . . . . . . . . . 27700 3 >> 64 2 127.538 . 27.176971934100 . . . . . . . . . . . 27700 3 >> 64 3 53.311 . 168.471332378000 . . . . . . . . . . . 27700 3 >> 65 1 7.089 . 29.485899864200 . . . . . . . . . . . 27700 3 >> 65 2 127.529 . 27.498237870500 . . . . . . . . . . . 27700 3 >> 65 3 41.091 . 177.029781916000 . . . . . . . . . . . 27700 3 >> 66 1 8.361 . 25.421187917600 . . . . . . . . . . . 27700 3 >> 66 2 123.690 . 27.190271930700 . . . . . . . . . . . 27700 3 >> 66 3 68.591 . 160.424580741000 . . . . . . . . . . . 27700 3 >> 67 1 8.429 . 21.934520634900 . . . . . . . . . . . 27700 3 >> 67 2 123.791 . 23.896951747000 . . . . . . . . . . . 27700 3 >> 67 3 30.820 . 162.322983694000 . . . . . . . . . . . 27700 3 >> 68 1 8.040 . 25.316073400200 . . . . . . . . . . . 27700 3 >> 68 2 111.910 . 25.058915200500 . . . . . . . . . . . 27700 3 >> 68 3 70.149 . 166.323496945000 . . . . . . . . . . . 27700 3 >> 69 1 8.041 . 26.319346322500 . . . . . . . . . . . 27700 3 >> 69 2 111.904 . 24.985915866600 . . . . . . . . . . . 27700 3 >> 69 3 61.328 . 159.867780663000 . . . . . . . . . . . 27700 3 >> 70 1 8.621 . 30.204324369800 . . . . . . . . . . . 27700 3 >> 70 2 113.505 . 28.766386086100 . . . . . . . . . . . 27700 3 >> 70 3 66.802 . 167.651768512000 . . . . . . . . . . . 27700 3 >> 71 1 8.622 . 29.579429637400 . . . . . . . . . . . 27700 3 >> 71 2 113.508 . 24.935987077000 . . . . . . . . . . . 27700 3 >> 71 3 57.248 . 156.213009238000 . . . . . . . . . . . 27700 3 >> 72 1 8.570 . 31.482394239500 . . . . . . . . . . . 27700 3 >> 72 2 127.667 . 25.768850939200 . . . . . . . . . . . 27700 3 >> 72 3 32.836 . 168.181781386000 . . . . . . . . . . . 27700 3 >> 73 1 8.570 . 28.272568270900 . . . . . . . . . . . 27700 3 >> 73 2 127.669 . 24.783058637600 . . . . . . . . . . . 27700 3 >> 73 3 61.871 . 148.807530818000 . . . . . . . . . . . 27700 3 >> 74 1 8.230 . 24.609915094400 . . . . . . . . . . . 27700 3 >> 74 2 118.388 . 26.497294763700 . . . . . . . . . . . 27700 3 >> 74 3 62.497 . 131.727261687000 . . . . . . . . . . . 27700 3 >> 75 1 7.302 . 24.780790071700 . . . . . . . . . . . 27700 3 >> 75 2 111.394 . 25.670973294600 . . . . . . . . . . . 27700 3 >> 75 3 30.789 . 165.769687066000 . . . . . . . . . . . 27700 3 >> 76 1 7.303 . 24.266291137100 . . . . . . . . . . . 27700 3 >> 76 2 111.401 . 26.748229973900 . . . . . . . . . . . 27700 3 >> 76 3 56.615 . 184.299455439000 . . . . . . . . . . . 27700 3 >> 77 1 8.213 . 25.506880952100 . . . . . . . . . . . 27700 3 >> 77 2 108.079 . 23.337921470900 . . . . . . . . . . . 27700 3 >> 77 3 44.797 . 164.442536823000 . . . . . . . . . . . 27700 3 >> 78 1 8.523 . 24.053506644000 . . . . . . . . . . . 27700 3 >> 78 2 124.067 . 24.295435139100 . . . . . . . . . . . 27700 3 >> 78 3 33.018 . 163.792168416000 . . . . . . . . . . . 27700 3 >> 79 1 8.522 . 24.547732276200 . . . . . . . . . . . 27700 3 >> 79 2 124.068 . 25.338860759200 . . . . . . . . . . . 27700 3 >> 79 3 56.700 . 341.050202233000 . . . . . . . . . . . 27700 3 >> 80 1 8.985 . 25.890540422500 . . . . . . . . . . . 27700 3 >> 80 2 125.022 . 25.187955296600 . . . . . . . . . . . 27700 3 >> 80 3 55.002 . 167.167106998000 . . . . . . . . . . . 27700 3 >> 81 1 8.985 . 24.741606378000 . . . . . . . . . . . 27700 3 >> 81 2 125.025 . 24.397616989700 . . . . . . . . . . . 27700 3 >> 81 3 29.271 . 172.595315952000 . . . . . . . . . . . 27700 3 >> 82 1 8.187 . 22.466567049700 . . . . . . . . . . . 27700 3 >> 82 2 121.957 . 24.431017628300 . . . . . . . . . . . 27700 3 >> 82 3 54.751 . 151.030495015000 . . . . . . . . . . . 27700 3 >> 83 1 8.188 . 21.830769028600 . . . . . . . . . . . 27700 3 >> 83 2 121.952 . 24.201861700500 . . . . . . . . . . . 27700 3 >> 83 3 42.397 . 161.217108219000 . . . . . . . . . . . 27700 3 >> 84 1 8.072 . 26.980869290300 . . . . . . . . . . . 27700 3 >> 84 2 109.993 . 26.586219659800 . . . . . . . . . . . 27700 3 >> 84 3 48.142 . 162.081774262000 . . . . . . . . . . . 27700 3 >> 85 1 9.390 . 27.292635201000 . . . . . . . . . . . 27700 3 >> 85 2 121.666 . 26.408455951700 . . . . . . . . . . . 27700 3 >> 85 3 58.931 . 168.804739630000 . . . . . . . . . . . 27700 3 >> 86 1 9.393 . 26.120361304100 . . . . . . . . . . . 27700 3 >> 86 2 121.676 . 23.085953251300 . . . . . . . . . . . 27700 3 >> 86 3 40.630 . 177.578981903000 . . . . . . . . . . . 27700 3 >> 87 1 8.460 . 20.332248290900 . . . . . . . . . . . 27700 3 >> 87 2 120.511 . 21.103694217200 . . . . . . . . . . . 27700 3 >> 87 3 29.905 . 159.312849459000 . . . . . . . . . . . 27700 3 >> 88 1 8.460 . 20.446392094200 . . . . . . . . . . . 27700 3 >> 88 2 120.511 . 21.314255975000 . . . . . . . . . . . 27700 3 >> 88 3 57.429 . 152.135872123000 . . . . . . . . . . . 27700 3 >> 89 1 8.301 . 23.363021815700 . . . . . . . . . . . 27700 3 >> 89 2 123.162 . 29.070607366600 . . . . . . . . . . . 27700 3 >> 89 3 62.330 . 160.866756503000 . . . . . . . . . . . 27700 3 >> 90 1 8.345 . 22.852100522800 . . . . . . . . . . . 27700 3 >> 90 2 118.849 . 20.828483285100 . . . . . . . . . . . 27700 3 >> 90 3 69.898 . 162.871311540000 . . . . . . . . . . . 27700 3 >> 91 1 8.346 . 24.808559385000 . . . . . . . . . . . 27700 3 >> 91 2 118.797 . 31.459183447800 . . . . . . . . . . . 27700 3 >> 91 3 61.635 . 211.155932883000 . . . . . . . . . . . 27700 3 >> 92 1 8.379 . 21.159194591600 . . . . . . . . . . . 27700 3 >> 92 2 121.617 . 23.877927156500 . . . . . . . . . . . 27700 3 >> 92 3 62.308 . 265.509787212000 . . . . . . . . . . . 27700 3 >> 93 1 8.376 . 22.253101101000 . . . . . . . . . . . 27700 3 >> 93 2 121.616 . 24.802212354300 . . . . . . . . . . . 27700 3 >> 93 3 32.794 . 318.924718876000 . . . . . . . . . . . 27700 3 >> 94 1 8.385 . 22.682077365000 . . . . . . . . . . . 27700 3 >> 94 2 120.508 . 21.430297368900 . . . . . . . . . . . 27700 3 >> 94 3 69.889 . 171.053618890000 . . . . . . . . . . . 27700 3 >> 95 1 8.385 . 22.630116379800 . . . . . . . . . . . 27700 3 >> 95 2 120.509 . 21.000995861900 . . . . . . . . . . . 27700 3 >> 95 3 61.918 . 183.663290480000 . . . . . . . . . . . 27700 3 >> 96 1 8.503 . 27.447495973000 . . . . . . . . . . . 27700 3 >> 96 2 120.486 . 23.070027689100 . . . . . . . . . . . 27700 3 >> 96 3 38.680 . 159.108519155000 . . . . . . . . . . . 27700 3 >> 97 1 8.503 . 28.622325328100 . . . . . . . . . . . 27700 3 >> 97 2 120.500 . 24.251618322000 . . . . . . . . . . . 27700 3 >> 97 3 53.088 . 154.270376250000 . . . . . . . . . . . 27700 3 >> 99 1 8.279 . 25.939264493700 . . . . . . . . . . . 27700 3 >> 99 2 118.861 . 24.393054531300 . . . . . . . . . . . 27700 3 >> 99 3 58.207 . 195.012343767000 . . . . . . . . . . . 27700 3 >> 100 1 8.122 . 25.099711265500 . . . . . . . . . . . 27700 3 >> 100 2 116.339 . 24.618681010200 . . . . . . . . . . . 27700 3 >> 100 3 39.430 . 156.203041906000 . . . . . . . . . . . 27700 3 >> 101 1 8.121 . 25.278422981500 . . . . . . . . . . . 27700 3 >> 101 2 116.332 . 24.592683605900 . . . . . . . . . . . 27700 3 >> 101 3 52.873 . 158.796541667000 . . . . . . . . . . . 27700 3 >> 102 1 7.742 . 25.543679551400 . . . . . . . . . . . 27700 3 >> 102 2 120.436 . 26.195569922600 . . . . . . . . . . . 27700 3 >> 102 3 41.919 . 174.841454197000 . . . . . . . . . . . 27700 3 >> 103 1 7.741 . 26.725323461900 . . . . . . . . . . . 27700 3 >> 103 2 120.437 . 27.169439573600 . . . . . . . . . . . 27700 3 >> 103 3 57.668 . 162.235271173000 . . . . . . . . . . . 27700 3 >> 104 1 8.411 . 21.907432777100 . . . . . . . . . . . 27700 3 >> 104 2 122.804 . 42.525124921700 . . . . . . . . . . . 27700 3 >> 104 3 30.341 . 163.945665328000 . . . . . . . . . . . 27700 3 >> 105 1 8.404 . 20.370920892900 . . . . . . . . . . . 27700 3 >> 105 2 122.804 . 30.680896917700 . . . . . . . . . . . 27700 3 >> 105 3 56.480 . 147.786128481000 . . . . . . . . . . . 27700 3 >> 106 1 8.809 . 25.129184217700 . . . . . . . . . . . 27700 3 >> 106 2 121.365 . 25.892812072200 . . . . . . . . . . . 27700 3 >> 106 3 42.178 . 195.500743030000 . . . . . . . . . . . 27700 3 >> 107 1 8.808 . 26.155796992300 . . . . . . . . . . . 27700 3 >> 107 2 121.360 . 26.004377091800 . . . . . . . . . . . 27700 3 >> 107 3 58.227 . 200.094686304000 . . . . . . . . . . . 27700 3 >> 108 1 7.489 . 26.289873370300 . . . . . . . . . . . 27700 3 >> 108 2 105.025 . 25.981736968300 . . . . . . . . . . . 27700 3 >> 108 3 47.610 . 152.778266664000 . . . . . . . . . . . 27700 3 >> 109 1 8.075 . 22.653456232200 . . . . . . . . . . . 27700 3 >> 109 2 120.391 . 21.220424284100 . . . . . . . . . . . 27700 3 >> 109 3 32.663 . 165.449735712000 . . . . . . . . . . . 27700 3 >> 110 1 8.075 . 22.585481041800 . . . . . . . . . . . 27700 3 >> 110 2 120.388 . 20.628165537600 . . . . . . . . . . . 27700 3 >> 110 3 55.645 . 149.726768002000 . . . . . . . . . . . 27700 3 >> 111 1 8.973 . 25.618469297200 . . . . . . . . . . . 27700 3 >> 111 2 122.475 . 26.042770609400 . . . . . . . . . . . 27700 3 >> 111 3 61.036 . 150.472573612000 . . . . . . . . . . . 27700 3 >> 112 1 8.973 . 25.256786768000 . . . . . . . . . . . 27700 3 >> 112 2 122.468 . 23.111175898500 . . . . . . . . . . . 27700 3 >> 112 3 29.213 . 180.516354615000 . . . . . . . . . . . 27700 3 >> 113 1 8.329 . 20.555595344900 . . . . . . . . . . . 27700 3 >> 113 2 124.019 . 21.437958855600 . . . . . . . . . . . 27700 3 >> 113 3 55.060 . 152.315284097000 . . . . . . . . . . . 27700 3 >> 114 1 8.329 . 21.377430729000 . . . . . . . . . . . 27700 3 >> 114 2 124.018 . 21.548490865900 . . . . . . . . . . . 27700 3 >> 114 3 42.401 . 168.121977395000 . . . . . . . . . . . 27700 3 >> 115 1 7.430 . 25.107548004200 . . . . . . . . . . . 27700 3 >> 115 2 121.343 . 25.418058149700 . . . . . . . . . . . 27700 3 >> 115 3 57.857 . 147.841945540000 . . . . . . . . . . . 27700 3 >> 116 1 7.431 . 26.579832703600 . . . . . . . . . . . 27700 3 >> 116 2 121.341 . 26.303347241000 . . . . . . . . . . . 27700 3 >> 116 3 34.916 . 170.104479710000 . . . . . . . . . . . 27700 3 >> 117 1 8.385 . 23.934422288000 . . . . . . . . . . . 27700 3 >> 117 2 124.459 . 23.434852190200 . . . . . . . . . . . 27700 3 >> 117 3 56.371 . 151.542815875000 . . . . . . . . . . . 27700 3 >> 118 1 8.385 . 24.039366441500 . . . . . . . . . . . 27700 3 >> 118 2 124.460 . 23.411265141300 . . . . . . . . . . . 27700 3 >> 118 3 32.886 . 163.017706728000 . . . . . . . . . . . 27700 3 >> 119 1 9.313 . 27.051229575100 . . . . . . . . . . . 27700 3 >> 119 2 120.217 . 27.537965691900 . . . . . . . . . . . 27700 3 >> 119 3 60.762 . 176.847379742000 . . . . . . . . . . . 27700 3 >> 120 1 9.313 . 23.131326931300 . . . . . . . . . . . 27700 3 >> 120 2 120.237 . 23.234706610900 . . . . . . . . . . . 27700 3 >> 120 3 38.096 . 313.841379606000 . . . . . . . . . . . 27700 3 >> 121 1 8.440 . 28.535780474200 . . . . . . . . . . . 27700 3 >> 121 2 109.834 . 31.629199585000 . . . . . . . . . . . 27700 3 >> 121 3 45.873 . 162.843776786000 . . . . . . . . . . . 27700 3 >> 122 1 7.895 . 28.956068180000 . . . . . . . . . . . 27700 3 >> 122 2 121.149 . 26.979279752300 . . . . . . . . . . . 27700 3 >> 122 3 58.771 . 161.437386254000 . . . . . . . . . . . 27700 3 >> 123 1 7.895 . 27.007786784200 . . . . . . . . . . . 27700 3 >> 123 2 121.146 . 26.135397122700 . . . . . . . . . . . 27700 3 >> 123 3 27.993 . 166.974737493000 . . . . . . . . . . . 27700 3 >> 124 1 8.194 . 21.415932967200 . . . . . . . . . . . 27700 3 >> 124 2 125.082 . 21.610127095900 . . . . . . . . . . . 27700 3 >> 124 3 18.899 . 152.563969028000 . . . . . . . . . . . 27700 3 >> 125 1 8.529 . 39.556620233700 . . . . . . . . . . . 27700 3 >> 125 2 120.269 . 34.370978811000 . . . . . . . . . . . 27700 3 >> 125 3 38.820 . 204.431970781000 . . . . . . . . . . . 27700 3 >> 126 1 8.530 . 27.837118179300 . . . . . . . . . . . 27700 3 >> 126 2 120.278 . 24.931252450400 . . . . . . . . . . . 27700 3 >> 126 3 65.352 . 165.955577806000 . . . . . . . . . . . 27700 3 >> 127 1 9.083 . 23.593524152900 . . . . . . . . . . . 27700 3 >> 127 2 122.308 . 24.767864790400 . . . . . . . . . . . 27700 3 >> 127 3 41.416 . 180.012007621000 . . . . . . . . . . . 27700 3 >> 128 1 9.084 . 25.231743276800 . . . . . . . . . . . 27700 3 >> 128 2 122.305 . 25.599781727300 . . . . . . . . . . . 27700 3 >> 128 3 56.131 . 167.215448558000 . . . . . . . . . . . 27700 3 >> 129 1 9.036 . 25.622558030400 . . . . . . . . . . . 27700 3 >> 129 2 125.166 . 25.186147530000 . . . . . . . . . . . 27700 3 >> 129 3 54.816 . 141.819683604000 . . . . . . . . . . . 27700 3 >> 130 1 9.035 . 26.229053463200 . . . . . . . . . . . 27700 3 >> 130 2 125.173 . 25.825149953700 . . . . . . . . . . . 27700 3 >> 130 3 18.724 . 169.081831457000 . . . . . . . . . . . 27700 3 >> 131 1 8.626 . 27.579187256500 . . . . . . . . . . . 27700 3 >> 131 2 121.087 . 21.935869406400 . . . . . . . . . . . 27700 3 >> 131 3 38.841 . 157.350281808000 . . . . . . . . . . . 27700 3 >> 132 1 8.626 . 27.300642303600 . . . . . . . . . . . 27700 3 >> 132 2 121.087 . 21.528519350000 . . . . . . . . . . . 27700 3 >> 132 3 53.160 . 154.572386407000 . . . . . . . . . . . 27700 3 >> 133 1 8.077 . 21.109448337000 . . . . . . . . . . . 27700 3 >> 133 2 128.923 . 21.421861125200 . . . . . . . . . . . 27700 3 >> 133 3 33.457 . 162.151545585000 . . . . . . . . . . . 27700 3 >> 134 1 8.077 . 21.278449311500 . . . . . . . . . . . 27700 3 >> 134 2 128.923 . 21.449752380100 . . . . . . . . . . . 27700 3 >> 134 3 57.825 . 147.713865325000 . . . . . . . . . . . 27700 3 >> 135 1 8.587 . 24.013982222600 . . . . . . . . . . . 27700 3 >> 135 2 120.168 . 24.427660347600 . . . . . . . . . . . 27700 3 >> 135 3 55.806 . 158.845879960000 . . . . . . . . . . . 27700 3 >> 136 1 8.587 . 23.881268755700 . . . . . . . . . . . 27700 3 >> 136 2 120.172 . 24.627719842800 . . . . . . . . . . . 27700 3 >> 136 3 18.169 . 154.097941408000 . . . . . . . . . . . 27700 3 >> 137 1 8.542 . 28.656057377400 . . . . . . . . . . . 27700 3 >> 137 2 122.174 . 25.026633655500 . . . . . . . . . . . 27700 3 >> 137 3 37.770 . 167.908676492000 . . . . . . . . . . . 27700 3 >> 138 1 8.441 . 23.991323825800 . . . . . . . . . . . 27700 3 >> 138 2 120.987 . 24.605079719200 . . . . . . . . . . . 27700 3 >> 138 3 59.623 . 160.458594262000 . . . . . . . . . . . 27700 3 >> 139 1 8.440 . 27.526715179800 . . . . . . . . . . . 27700 3 >> 139 2 120.989 . 28.893704499800 . . . . . . . . . . . 27700 3 >> 139 3 30.349 . 185.574775555000 . . . . . . . . . . . 27700 3 >> 140 1 8.326 . 24.062365566100 . . . . . . . . . . . 27700 3 >> 140 2 120.184 . 29.773312039200 . . . . . . . . . . . 27700 3 >> 140 3 42.519 . 175.898489745000 . . . . . . . . . . . 27700 3 >> 141 1 8.325 . 27.980223843200 . . . . . . . . . . . 27700 3 >> 141 2 120.189 . 29.694114648700 . . . . . . . . . . . 27700 3 >> 141 3 56.076 . 174.388937328000 . . . . . . . . . . . 27700 3 >> 142 1 7.608 . 24.600545080700 . . . . . . . . . . . 27700 3 >> 142 2 122.081 . 25.454127396000 . . . . . . . . . . . 27700 3 >> 142 3 55.032 . 153.283112025000 . . . . . . . . . . . 27700 3 >> 143 1 7.609 . 23.903416060800 . . . . . . . . . . . 27700 3 >> 143 2 122.078 . 25.162388312900 . . . . . . . . . . . 27700 3 >> 143 3 18.065 . 161.862492960000 . . . . . . . . . . . 27700 3 >> 144 1 8.173 . 21.277086400400 . . . . . . . . . . . 27700 3 >> 144 2 121.032 . 24.406569738200 . . . . . . . . . . . 27700 3 >> 144 3 56.325 . 152.075569765000 . . . . . . . . . . . 27700 3 >> 145 1 8.173 . 21.065664818400 . . . . . . . . . . . 27700 3 >> 145 2 121.036 . 24.114572402700 . . . . . . . . . . . 27700 3 >> 145 3 32.924 . 155.543204534000 . . . . . . . . . . . 27700 3 >> 146 1 8.211 . 22.869307275200 . . . . . . . . . . . 27700 3 >> 146 2 116.981 . 20.391778543700 . . . . . . . . . . . 27700 3 >> 146 3 61.623 . 154.407925430000 . . . . . . . . . . . 27700 3 >> 147 1 8.211 . 22.677988631700 . . . . . . . . . . . 27700 3 >> 147 2 116.981 . 20.732327323000 . . . . . . . . . . . 27700 3 >> 147 3 70.059 . 173.656213842000 . . . . . . . . . . . 27700 3 >> 148 1 8.832 . 27.812585779800 . . . . . . . . . . . 27700 3 >> 148 2 120.008 . 24.334517329600 . . . . . . . . . . . 27700 3 >> 148 3 37.437 . 165.576320827000 . . . . . . . . . . . 27700 3 >> 149 1 8.833 . 28.490122952800 . . . . . . . . . . . 27700 3 >> 149 2 120.005 . 24.292336110800 . . . . . . . . . . . 27700 3 >> 149 3 53.400 . 157.990184516000 . . . . . . . . . . . 27700 3 >> 150 1 8.773 . 26.131946048400 . . . . . . . . . . . 27700 3 >> 150 2 121.923 . 24.917392907000 . . . . . . . . . . . 27700 3 >> 150 3 65.433 . 164.497107965000 . . . . . . . . . . . 27700 3 >> 151 1 8.774 . 26.550189387500 . . . . . . . . . . . 27700 3 >> 151 2 121.927 . 25.310883420100 . . . . . . . . . . . 27700 3 >> 151 3 56.816 . 186.670185332000 . . . . . . . . . . . 27700 3 >> 152 1 7.965 . 25.816602496100 . . . . . . . . . . . 27700 3 >> 152 2 121.010 . 25.143880227100 . . . . . . . . . . . 27700 3 >> 152 3 28.242 . 169.167550511000 . . . . . . . . . . . 27700 3 >> 153 1 7.964 . 25.869926392300 . . . . . . . . . . . 27700 3 >> 153 2 121.015 . 26.521656569700 . . . . . . . . . . . 27700 3 >> 153 3 58.923 . 153.003029999000 . . . . . . . . . . . 27700 3 >> 154 1 7.024 . 29.800391597000 . . . . . . . . . . . 27700 3 >> 154 2 104.614 . 28.393297509500 . . . . . . . . . . . 27700 3 >> 154 3 44.813 . 155.687232480000 . . . . . . . . . . . 27700 3 >> 155 1 8.032 . 26.463985261400 . . . . . . . . . . . 27700 3 >> 155 2 120.040 . 24.988842726700 . . . . . . . . . . . 27700 3 >> 155 3 60.860 . 154.030661918000 . . . . . . . . . . . 27700 3 >> 156 1 8.032 . 24.849787445300 . . . . . . . . . . . 27700 3 >> 156 2 120.038 . 25.538489833700 . . . . . . . . . . . 27700 3 >> 156 3 32.222 . 172.492652434000 . . . . . . . . . . . 27700 3 >> 157 1 8.308 . 25.764130419300 . . . . . . . . . . . 27700 3 >> 157 2 121.932 . 25.853902049900 . . . . . . . . . . . 27700 3 >> 157 3 54.098 . 210.420343788000 . . . . . . . . . . . 27700 3 >> 158 1 8.309 . 24.868357108900 . . . . . . . . . . . 27700 3 >> 158 2 121.942 . 26.710697297500 . . . . . . . . . . . 27700 3 >> 158 3 28.738 . 166.478364364000 . . . . . . . . . . . 27700 3 >> 159 1 7.869 . 27.018008617400 . . . . . . . . . . . 27700 3 >> 159 2 120.632 . 25.832897524600 . . . . . . . . . . . 27700 3 >> 159 3 58.680 . 156.857895612000 . . . . . . . . . . . 27700 3 >> 160 1 7.868 . 25.536864996000 . . . . . . . . . . . 27700 3 >> 160 2 120.638 . 25.017853075200 . . . . . . . . . . . 27700 3 >> 160 3 32.672 . 162.831317621000 . . . . . . . . . . . 27700 3 >> 161 1 8.482 . 23.059944463200 . . . . . . . . . . . 27700 3 >> 161 2 109.476 . 21.025013331400 . . . . . . . . . . . 27700 3 >> 161 3 45.204 . 145.468225447000 . . . . . . . . . . . 27700 3 >> 162 1 8.678 . 27.159069914600 . . . . . . . . . . . 27700 3 >> 162 2 112.665 . 22.348298426000 . . . . . . . . . . . 27700 3 >> 162 3 45.695 . 150.621834407000 . . . . . . . . . . . 27700 3 >> 163 1 8.700 . 28.064383602700 . . . . . . . . . . . 27700 3 >> 163 2 115.010 . 25.695765521200 . . . . . . . . . . . 27700 3 >> 163 3 51.844 . 165.122308859000 . . . . . . . . . . . 27700 3 >> 164 1 8.699 . 27.919233572200 . . . . . . . . . . . 27700 3 >> 164 2 115.003 . 25.689223128100 . . . . . . . . . . . 27700 3 >> 164 3 38.479 . 171.851752992000 . . . . . . . . . . . 27700 3 >> 165 1 8.038 . 21.987503803400 . . . . . . . . . . . 27700 3 >> 165 2 117.080 . 24.006795084300 . . . . . . . . . . . 27700 3 >> 165 3 64.314 . 158.181806472000 . . . . . . . . . . . 27700 3 >> 166 1 8.037 . 21.243013623300 . . . . . . . . . . . 27700 3 >> 166 2 117.073 . 25.346436161700 . . . . . . . . . . . 27700 3 >> 166 3 55.214 . 165.184106316000 . . . . . . . . . . . 27700 3 >> 167 1 8.362 . 23.641737132500 . . . . . . . . . . . 27700 3 >> 167 2 116.453 . 24.279681745100 . . . . . . . . . . . 27700 3 >> 167 3 63.783 . 154.893334494000 . . . . . . . . . . . 27700 3 >> 168 1 8.362 . 23.642418588100 . . . . . . . . . . . 27700 3 >> 168 2 116.451 . 24.075834548700 . . . . . . . . . . . 27700 3 >> 168 3 58.387 . 150.284440222000 . . . . . . . . . . . 27700 3 >> 169 1 8.187 . 21.765008568800 . . . . . . . . . . . 27700 3 >> 169 2 122.324 . 75.560422524900 . . . . . . . . . . . 27700 3 >> 169 3 55.045 . 157.365232806000 . . . . . . . . . . . 27700 3 >> 170 1 8.187 . 20.061369712800 . . . . . . . . . . . 27700 3 >> 170 2 122.343 . 75.670351946300 . . . . . . . . . . . 27700 3 >> 170 3 42.372 . 172.591827386000 . . . . . . . . . . . 27700 3 >> 171 1 8.001 . 27.175595211500 . . . . . . . . . . . 27700 3 >> 171 2 115.672 . 25.613469102400 . . . . . . . . . . . 27700 3 >> 171 3 52.781 . 160.301608784000 . . . . . . . . . . . 27700 3 >> 172 1 8.000 . 28.418059029200 . . . . . . . . . . . 27700 3 >> 172 2 115.684 . 24.917392907000 . . . . . . . . . . . 27700 3 >> 172 3 41.388 . 158.569286500000 . . . . . . . . . . . 27700 3 >> 173 1 8.379 . 22.686847553700 . . . . . . . . . . . 27700 3 >> 173 2 110.153 . 23.187790765400 . . . . . . . . . . . 27700 3 >> 173 3 45.559 . 149.232886707000 . . . . . . . . . . . 27700 3 >> 174 1 8.345 . 22.333512855000 . . . . . . . . . . . 27700 3 >> 174 2 118.958 . 22.392976084300 . . . . . . . . . . . 27700 3 >> 174 3 56.332 . 153.320987886000 . . . . . . . . . . . 27700 3 >> 175 1 8.345 . 22.371504001500 . . . . . . . . . . . 27700 3 >> 175 2 118.955 . 22.253691977900 . . . . . . . . . . . 27700 3 >> 175 3 63.150 . 150.750412989000 . . . . . . . . . . . 27700 3 >> 176 1 8.311 . 23.264892217600 . . . . . . . . . . . 27700 3 >> 176 2 109.375 . 20.432754584900 . . . . . . . . . . . 27700 3 >> 176 3 45.086 . 146.704672970000 . . . . . . . . . . . 27700 3 >> 177 1 8.193 . 21.643198390600 . . . . . . . . . . . 27700 3 >> 177 2 125.094 . 21.729784022900 . . . . . . . . . . . 27700 3 >> 177 3 52.828 . 153.256698596000 . . . . . . . . . . . 27700 3 >> 178 1 8.443 . 24.482482908000 . . . . . . . . . . . 27700 3 >> 178 2 123.479 . 56.520336835400 . . . . . . . . . . . 27700 3 >> 178 3 56.287 . 160.836356141000 . . . . . . . . . . . 27700 3 >> 179 1 8.442 . 23.502038746300 . . . . . . . . . . . 27700 3 >> 179 2 123.479 . 28.758552431200 . . . . . . . . . . . 27700 3 >> 179 3 33.014 . 174.521004476000 . . . . . . . . . . . 27700 3 >> 180 1 8.305 . 23.858610358900 . . . . . . . . . . . 27700 3 >> 180 2 123.226 . 27.895214790400 . . . . . . . . . . . 27700 3 >> 180 3 32.848 . 163.577870780000 . . . . . . . . . . . 27700 3 >> 181 1 8.188 . 21.049480249200 . . . . . . . . . . . 27700 3 >> 181 2 123.629 . 23.591525288800 . . . . . . . . . . . 27700 3 >> 181 3 52.139 . 156.744268028000 . . . . . . . . . . . 27700 3 >> 182 1 8.189 . 20.861909611200 . . . . . . . . . . . 27700 3 >> 182 2 123.629 . 23.601941467400 . . . . . . . . . . . 27700 3 >> 182 3 18.992 . 153.630473542000 . . . . . . . . . . . 27700 3 >> 183 1 8.322 . 37.842929908400 . . . . . . . . . . . 27700 3 >> 183 2 123.423 . 29.197409275600 . . . . . . . . . . . 27700 3 >> 183 3 32.891 . 163.553949184000 . . . . . . . . . . . 27700 3 >> 184 1 8.325 . 30.558170160100 . . . . . . . . . . . 27700 3 >> 184 2 123.437 . 28.573385488800 . . . . . . . . . . . 27700 3 >> 184 3 56.384 . 153.913545768000 . . . . . . . . . . . 27700 3 >> 185 1 8.427 . 25.111977465300 . . . . . . . . . . . 27700 3 >> 185 2 123.791 . 25.920014654100 . . . . . . . . . . . 27700 3 >> 185 3 55.948 . 242.237562320000 . . . . . . . . . . . 27700 3 >> 186 1 8.362 . 26.837252534700 . . . . . . . . . . . 27700 3 >> 186 2 123.691 . 25.403509933400 . . . . . . . . . . . 27700 3 >> 186 3 31.429 . 196.618579303000 . . . . . . . . . . . 27700 3 >> 187 1 6.738 . 21.792266790500 . . . . . . . . . . . 27700 3 >> 187 2 117.567 . 27.704796716700 . . . . . . . . . . . 27700 3 >> 187 3 33.424 . 229.644336828000 . . . . . . . . . . . 27700 3 >> 190 1 8.278 . 20.010771638700 . . . . . . . . . . . 27700 3 >> 190 2 118.861 . 106.153513640000 . . . . . . . . . . . 27700 3 >> 190 3 176.973 . 286.283700362000 . . . . . . . . . . . 27700 3 >> 191 1 7.423 . 42.978719603700 . . . . . . . . . . . 27700 3 >> 191 2 117.244 . 0.707783635678 . . . . . . . . . . . 27700 3 >> 191 3 176.073 . 152.701518209000 . . . . . . . . . . . 27700 3 >> 192 1 8.541 . 27.965231821300 . . . . . . . . . . . 27700 3 >> 192 2 122.182 . 25.413753943700 . . . . . . . . . . . 27700 3 >> 192 3 66.317 . 151.451863971000 . . . . . . . . . . . 27700 3 >> 193 1 8.461 . 26.495502580200 . . . . . . . . . . . 27700 3 >> 193 2 123.067 . 25.339979852700 . . . . . . . . . . . 27700 3 >> 193 3 65.206 . 152.638973201000 . . . . . . . . . . . 27700 3 >> 194 1 8.461 . 45.740488553200 . . . . . . . . . . . 27700 3 >> 194 2 123.075 . 22.265227250000 . . . . . . . . . . . 27700 3 >> 194 3 32.226 . 209.445538728000 . . . . . . . . . . . 27700 3 >> 195 1 8.423 . 23.336785777300 . . . . . . . . . . . 27700 3 >> 195 2 123.113 . 27.260688741000 . . . . . . . . . . . 27700 3 >> 195 3 56.384 . 159.077620427000 . . . . . . . . . . . 27700 3 >> 196 1 8.422 . 22.786510426800 . . . . . . . . . . . 27700 3 >> 196 2 123.113 . 25.647300161600 . . . . . . . . . . . 27700 3 >> 196 3 30.367 . 164.126074035000 . . . . . . . . . . . 27700 3 >> 197 1 9.242 . 27.733536936900 . . . . . . . . . . . 27700 3 >> 197 2 128.485 . 29.822250861500 . . . . . . . . . . . 27700 3 >> 197 3 59.474 . 173.789402314000 . . . . . . . . . . . 27700 3 >> 198 1 9.241 . 32.346990958900 . . . . . . . . . . . 27700 3 >> 198 2 128.485 . 24.278993072200 . . . . . . . . . . . 27700 3 >> 198 3 30.117 . 174.184108658000 . . . . . . . . . . . 27700 3 >> 199 1 8.358 . 31.543725238300 . . . . . . . . . . . 27700 3 >> 199 2 110.363 . 26.195397754400 . . . . . . . . . . . 27700 3 >> 199 3 44.854 . 251.171780270000 . . . . . . . . . . . 27700 3 >> 200 1 8.374 . 23.698468306400 . . . . . . . . . . . 27700 3 >> 200 2 110.363 . 37.698474390400 . . . . . . . . . . . 27700 3 >> 200 3 29.884 . 163.384504542000 . . . . . . . . . . . 27700 3 >> 201 1 8.377 . 21.460909033000 . . . . . . . . . . . 27700 3 >> 201 2 110.363 . 38.089984968700 . . . . . . . . . . . 27700 3 >> 201 3 57.455 . 161.286381176000 . . . . . . . . . . . 27700 3 >> 202 1 8.281 . 21.397874395300 . . . . . . . . . . . 27700 3 >> 202 2 123.682 . 21.230065705500 . . . . . . . . . . . 27700 3 >> 202 3 32.962 . 157.023353321000 . . . . . . . . . . . 27700 3 >> 203 1 8.281 . 21.824976656500 . . . . . . . . . . . 27700 3 >> 203 2 123.683 . 21.751735473500 . . . . . . . . . . . 27700 3 >> 203 3 56.340 . 152.833585356000 . . . . . . . . . . . 27700 3 >> 204 1 8.420 . 23.457744136100 . . . . . . . . . . . 27700 3 >> 204 2 116.570 . 25.020349514700 . . . . . . . . . . . 27700 3 >> 204 3 63.697 . 147.369494008000 . . . . . . . . . . . 27700 3 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.408 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 3 >> 1 2 1 . . 119.995 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 3 >> 1 3 1 . . 57.643 . . 1 1 1 114 PHE CA . . . . . . . . . . 219 . 27700 3 >> 2 1 1 . . 8.410 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 3 >> 2 2 1 . . 119.980 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 3 >> 2 3 1 . . 42.981 . . 1 1 1 114 PHE CB . . . . . . . . . . 220 . 27700 3 >> 3 1 1 . . 7.727 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 3 >> 3 2 1 . . 119.956 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 3 >> 3 3 1 . . 51.934 . . 1 1 1 102 LEU CA . . . . . . . . . . 221 . 27700 3 >> 4 1 1 . . 7.724 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 3 >> 4 2 1 . . 119.956 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 3 >> 4 3 1 . . 45.635 . . 1 1 1 102 LEU CB . . . . . . . . . . 222 . 27700 3 >> 5 1 1 . . 7.571 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 3 >> 5 2 1 . . 118.916 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 3 >> 5 3 1 . . 31.999 . . 1 1 1 53 VAL CB . . . . . . . . . . 226 . 27700 3 >> 6 1 1 . . 7.566 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 3 >> 6 2 1 . . 118.916 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 3 >> 6 3 1 . . 67.855 . . 1 1 1 53 VAL CA . . . . . . . . . . 227 . 27700 3 >> 7 1 1 . . 7.470 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 3 >> 7 2 1 . . 117.838 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 3 >> 7 3 1 . . 32.168 . . 1 1 1 94 LYS CB . . . . . . . . . . 230 . 27700 3 >> 8 1 1 . . 7.470 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 3 >> 8 2 1 . . 117.840 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 3 >> 8 3 1 . . 60.019 . . 1 1 1 94 LYS CA . . . . . . . . . . 229 . 27700 3 >> 9 1 1 . . 8.430 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 3 >> 9 2 1 . . 124.075 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 3 >> 9 3 1 . . 56.422 . . 1 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 3 >> 10 1 1 . . 8.427 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 3 >> 10 2 1 . . 124.042 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 3 >> 10 3 1 . . 32.867 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 >> 11 1 1 . . 8.415 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 3 >> 11 2 1 . . 126.800 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 3 >> 11 3 1 . . 52.565 . . 1 1 1 28 ALA CA . . . . . . . . . . 399 . 27700 3 >> 12 1 1 . . 8.415 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 3 >> 12 2 1 . . 126.801 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 3 >> 12 3 1 . . 19.025 . . 1 1 1 28 ALA CB . . . . . . . . . . 232 . 27700 3 >> 13 1 1 . . 7.364 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 3 >> 13 2 1 . . 120.667 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 3 >> 13 3 1 . . 60.474 . . 1 1 1 77 VAL CA . . . . . . . . . . 238 . 27700 3 >> 14 1 1 . . 7.364 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 3 >> 14 2 1 . . 120.680 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 3 >> 14 3 1 . . 31.249 . . 1 1 1 77 VAL CB . . . . . . . . . . 237 . 27700 3 >> 15 1 1 . . 9.100 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 3 >> 15 2 1 . . 119.849 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 3 >> 15 3 1 . . 44.503 . . 1 1 1 103 LEU CB . . . . . . . . . . 240 . 27700 3 >> 16 1 1 . . 9.100 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 3 >> 16 2 1 . . 119.829 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 3 >> 16 3 1 . . 53.319 . . 1 1 1 103 LEU CA . . . . . . . . . . 241 . 27700 3 >> 17 1 1 . . 9.149 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 3 >> 17 2 1 . . 126.015 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 3 >> 17 3 1 . . 58.016 . . 1 1 1 82 GLN CA . . . . . . . . . . 244 . 27700 3 >> 18 1 1 . . 9.148 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 3 >> 18 2 1 . . 126.007 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 3 >> 18 3 1 . . 27.395 . . 1 1 1 82 GLN CB . . . . . . . . . . 245 . 27700 3 >> 19 1 1 . . 7.236 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 3 >> 19 2 1 . . 117.754 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 3 >> 19 3 1 . . 57.294 . . 1 1 1 73 GLU CA . . . . . . . . . . 248 . 27700 3 >> 20 1 1 . . 7.235 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 3 >> 20 2 1 . . 117.743 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 3 >> 20 3 1 . . 30.051 . . 1 1 1 73 GLU CB . . . . . . . . . . 449 . 27700 3 >> 21 1 1 . . 8.513 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 3 >> 21 2 1 . . 126.700 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 3 >> 21 3 1 . . 53.223 . . 1 1 1 14 ALA CA . . . . . . . . . . 252 . 27700 3 >> 22 1 1 . . 8.508 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 3 >> 22 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 3 >> 22 3 1 . . 18.868 . . 1 1 1 14 ALA CB . . . . . . . . . . 253 . 27700 3 >> 23 1 1 . . 7.748 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 3 >> 23 2 1 . . 114.507 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 3 >> 23 3 1 . . 56.758 . . 1 1 1 113 SER CA . . . . . . . . . . 256 . 27700 3 >> 24 1 1 . . 7.749 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 3 >> 24 2 1 . . 114.505 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 3 >> 24 3 1 . . 65.163 . . 1 1 1 113 SER CB . . . . . . . . . . 257 . 27700 3 >> 25 1 1 . . 8.200 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 3 >> 25 2 1 . . 119.567 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 3 >> 25 3 1 . . 59.044 . . 1 1 1 58 ARG CA . . . . . . . . . . 260 . 27700 3 >> 26 1 1 . . 8.200 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 3 >> 26 2 1 . . 119.569 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 3 >> 26 3 1 . . 30.160 . . 1 1 1 58 ARG CB . . . . . . . . . . 259 . 27700 3 >> 27 1 1 . . 7.808 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 3 >> 27 2 1 . . 113.504 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 3 >> 27 3 1 . . 39.840 . . 1 1 1 100 ASP CB . . . . . . . . . . 263 . 27700 3 >> 28 1 1 . . 7.808 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 3 >> 28 2 1 . . 113.503 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 3 >> 28 3 1 . . 56.345 . . 1 1 1 100 ASP CA . . . . . . . . . . 262 . 27700 3 >> 29 1 1 . . 8.577 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 3 >> 29 2 1 . . 117.657 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 3 >> 29 3 1 . . 58.819 . . 1 1 1 54 GLU CA . . . . . . . . . . 265 . 27700 3 >> 30 1 1 . . 8.578 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 3 >> 30 2 1 . . 117.662 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 3 >> 30 3 1 . . 29.373 . . 1 1 1 54 GLU CB . . . . . . . . . . 266 . 27700 3 >> 31 1 1 . . 8.415 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 3 >> 31 2 1 . . 116.582 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 3 >> 31 3 1 . . 58.578 . . 1 1 1 33 SER CA . . . . . . . . . . 271 . 27700 3 >> 32 1 1 . . 8.359 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 3 >> 32 2 1 . . 126.465 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 3 >> 32 3 1 . . 52.070 . . 1 1 1 8 ALA CA . . . . . . . . . . 275 . 27700 3 >> 33 1 1 . . 8.359 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 3 >> 33 2 1 . . 126.465 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 3 >> 33 3 1 . . 19.169 . . 1 1 1 8 ALA CB . . . . . . . . . . 284 . 27700 3 >> 34 1 1 . . 7.933 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 3 >> 34 2 1 . . 114.438 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 3 >> 34 3 1 . . 68.708 . . 1 1 1 72 THR CB . . . . . . . . . . 247 . 27700 3 >> 35 1 1 . . 7.932 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 3 >> 35 2 1 . . 114.433 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 3 >> 35 3 1 . . 67.127 . . 1 1 1 72 THR CA . . . . . . . . . . 278 . 27700 3 >> 36 1 1 . . 8.646 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 3 >> 36 2 1 . . 119.125 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 3 >> 36 3 1 . . 57.798 . . 1 1 1 61 GLU CA . . . . . . . . . . 281 . 27700 3 >> 37 1 1 . . 8.646 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 3 >> 37 2 1 . . 119.127 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 3 >> 37 3 1 . . 30.126 . . 1 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 3 >> 38 1 1 . . 8.300 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 3 >> 38 2 1 . . 123.983 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 3 >> 38 3 1 . . 41.551 . . 1 1 1 9 LEU CB . . . . . . . . . . 286 . 27700 3 >> 39 1 1 . . 8.301 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 3 >> 39 2 1 . . 123.973 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 3 >> 39 3 1 . . 53.001 . . 1 1 1 9 LEU CA . . . . . . . . . . 285 . 27700 3 >> 40 1 1 . . 8.801 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 3 >> 40 2 1 . . 126.125 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 3 >> 40 3 1 . . 53.106 . . 1 1 1 110 ALA CA . . . . . . . . . . 289 . 27700 3 >> 41 1 1 . . 8.801 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 3 >> 41 2 1 . . 126.127 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 3 >> 41 3 1 . . 19.008 . . 1 1 1 110 ALA CB . . . . . . . . . . 288 . 27700 3 >> 42 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 3 >> 42 2 1 . . 114.259 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 3 >> 42 3 1 . . 37.648 . . 1 1 1 99 ASN CB . . . . . . . . . . 296 . 27700 3 >> 43 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 3 >> 43 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 3 >> 43 3 1 . . 51.520 . . 1 1 1 99 ASN CA . . . . . . . . . . 297 . 27700 3 >> 44 1 1 . . 8.249 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 3 >> 44 2 1 . . 119.114 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 3 >> 44 3 1 . . 37.363 . . 1 1 1 91 TYR CB . . . . . . . . . . 299 . 27700 3 >> 45 1 1 . . 8.249 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 3 >> 45 2 1 . . 119.125 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 3 >> 45 3 1 . . 60.540 . . 1 1 1 91 TYR CA . . . . . . . . . . 300 . 27700 3 >> 46 1 1 . . 8.805 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 3 >> 46 2 1 . . 119.049 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 3 >> 46 3 1 . . 68.189 . . 1 1 1 101 THR CB . . . . . . . . . . 303 . 27700 3 >> 47 1 1 . . 8.804 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 3 >> 47 2 1 . . 119.039 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 3 >> 47 3 1 . . 67.062 . . 1 1 1 101 THR CA . . . . . . . . . . 302 . 27700 3 >> 48 1 1 . . 7.425 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 >> 48 2 1 . . 117.253 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 >> 48 3 1 . . 67.908 . . 1 1 1 87 THR CB . . . . . . . . . . 310 . 27700 3 >> 49 1 1 . . 7.423 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 >> 49 2 1 . . 117.248 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 >> 49 3 1 . . 66.640 . . 1 1 1 87 THR CA . . . . . . . . . . 309 . 27700 3 >> 50 1 1 . . 8.482 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 3 >> 50 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 3 >> 50 3 1 . . 52.615 . . 1 1 1 24 ALA CA . . . . . . . . . . 312 . 27700 3 >> 51 1 1 . . 8.486 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 3 >> 51 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 3 >> 51 3 1 . . 19.131 . . 1 1 1 24 ALA CB . . . . . . . . . . 313 . 27700 3 >> 52 1 1 . . 8.466 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 3 >> 52 2 1 . . 125.481 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 3 >> 52 3 1 . . 33.081 . . 1 1 1 23 LYS CB . . . . . . . . . . 316 . 27700 3 >> 53 1 1 . . 8.465 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 3 >> 53 2 1 . . 125.479 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 3 >> 53 3 1 . . 56.246 . . 1 1 1 23 LYS CA . . . . . . . . . . 315 . 27700 3 >> 54 1 1 . . 8.405 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 3 >> 54 2 1 . . 117.751 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 3 >> 54 3 1 . . 63.769 . . 1 1 1 39 SER CB . . . . . . . . . . 320 . 27700 3 >> 55 1 1 . . 8.405 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 3 >> 55 2 1 . . 117.750 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 3 >> 55 3 1 . . 58.558 . . 1 1 1 39 SER CA . . . . . . . . . . 319 . 27700 3 >> 56 1 1 . . 8.092 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 3 >> 56 2 1 . . 123.828 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 3 >> 56 3 1 . . 30.991 . . 1 1 1 118 ARG CB . . . . . . . . . . 324 . 27700 3 >> 57 1 1 . . 8.092 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 3 >> 57 2 1 . . 123.829 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 3 >> 57 3 1 . . 55.624 . . 1 1 1 118 ARG CA . . . . . . . . . . 323 . 27700 3 >> 58 1 1 . . 8.604 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 3 >> 58 2 1 . . 125.279 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 3 >> 58 3 1 . . 56.508 . . 1 1 1 4 GLU CA . . . . . . . . . . 423 . 27700 3 >> 59 1 1 . . 8.604 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 3 >> 59 2 1 . . 125.280 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 3 >> 59 3 1 . . 30.020 . . 1 1 1 4 GLU CB . . . . . . . . . . 329 . 27700 3 >> 60 1 1 . . 7.176 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 3 >> 60 2 1 . . 125.080 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 3 >> 60 3 1 . . 60.410 . . 1 1 1 80 PHE CA . . . . . . . . . . 338 . 27700 3 >> 61 1 1 . . 7.177 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 3 >> 61 2 1 . . 125.078 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 3 >> 61 3 1 . . 39.882 . . 1 1 1 80 PHE CB . . . . . . . . . . 334 . 27700 3 >> 62 1 1 . . 8.152 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 3 >> 62 2 1 . . 118.928 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 3 >> 62 3 1 . . 57.231 . . 1 1 1 59 LEU CA . . . . . . . . . . 337 . 27700 3 >> 63 1 1 . . 8.151 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 3 >> 63 2 1 . . 118.918 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 3 >> 63 3 1 . . 42.260 . . 1 1 1 59 LEU CB . . . . . . . . . . 336 . 27700 3 >> 64 1 1 . . 7.086 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 3 >> 64 2 1 . . 127.538 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 3 >> 64 3 1 . . 53.311 . . 1 1 1 81 ASP CA . . . . . . . . . . 339 . 27700 3 >> 65 1 1 . . 7.089 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 3 >> 65 2 1 . . 127.529 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 3 >> 65 3 1 . . 41.091 . . 1 1 1 81 ASP CB . . . . . . . . . . 243 . 27700 3 >> 66 1 1 . . 8.361 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 3 >> 66 2 1 . . 123.690 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 3 >> 66 3 1 . . 68.591 . . 1 1 1 52 VAL CA . . . . . . . . . . 341 . 27700 3 >> 67 1 1 . . 8.429 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 3 >> 67 2 1 . . 123.791 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 3 >> 67 3 1 . . 30.820 . . 1 1 1 36 ARG CB . . . . . . . . . . 346 . 27700 3 >> 68 1 1 . . 8.040 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 3 >> 68 2 1 . . 111.910 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 3 >> 68 3 1 . . 70.149 . . 1 1 1 108 THR CB . . . . . . . . . . 350 . 27700 3 >> 69 1 1 . . 8.041 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 3 >> 69 2 1 . . 111.904 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 3 >> 69 3 1 . . 61.328 . . 1 1 1 108 THR CA . . . . . . . . . . 499 . 27700 3 >> 70 1 1 . . 8.621 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 3 >> 70 2 1 . . 113.505 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 3 >> 70 3 1 . . 66.802 . . 1 1 1 65 SER CB . . . . . . . . . . 352 . 27700 3 >> 71 1 1 . . 8.622 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 3 >> 71 2 1 . . 113.508 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 3 >> 71 3 1 . . 57.248 . . 1 1 1 65 SER CA . . . . . . . . . . 351 . 27700 3 >> 72 1 1 . . 8.570 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 3 >> 72 2 1 . . 127.667 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 3 >> 72 3 1 . . 32.836 . . 1 1 1 105 VAL CB . . . . . . . . . . 354 . 27700 3 >> 73 1 1 . . 8.570 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 3 >> 73 2 1 . . 127.669 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 3 >> 73 3 1 . . 61.871 . . 1 1 1 105 VAL CA . . . . . . . . . . 355 . 27700 3 >> 74 1 1 . . 8.230 . . 1 1 1 49 SER H . . . . . . . . . . 93 . 27700 3 >> 74 2 1 . . 118.388 . . 1 1 1 49 SER N . . . . . . . . . . 94 . 27700 3 >> 74 3 1 . . 62.497 . . 1 1 1 49 SER CA . . . . . . . . . . 359 . 27700 3 >> 75 1 1 . . 7.302 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 3 >> 75 2 1 . . 111.394 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 3 >> 75 3 1 . . 30.789 . . 1 1 1 75 LYS CB . . . . . . . . . . 362 . 27700 3 >> 76 1 1 . . 7.303 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 3 >> 76 2 1 . . 111.401 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 3 >> 76 3 1 . . 56.615 . . 1 1 1 75 LYS CA . . . . . . . . . . 363 . 27700 3 >> 77 1 1 . . 8.213 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 3 >> 77 2 1 . . 108.079 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 3 >> 77 3 1 . . 44.797 . . 1 1 1 112 GLY CA . . . . . . . . . . 255 . 27700 3 >> 78 1 1 . . 8.523 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 3 >> 78 2 1 . . 124.067 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 3 >> 78 3 1 . . 33.018 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 >> 79 1 1 . . 8.522 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 3 >> 79 2 1 . . 124.068 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 3 >> 79 3 1 . . 56.700 . . 1 1 1 37 LYS CA . . . . . . . . . . 365 . 27700 3 >> 80 1 1 . . 8.985 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 3 >> 80 2 1 . . 125.022 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 3 >> 80 3 1 . . 55.002 . . 1 1 1 104 GLN CA . . . . . . . . . . 367 . 27700 3 >> 81 1 1 . . 8.985 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 3 >> 81 2 1 . . 125.025 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 3 >> 81 3 1 . . 29.271 . . 1 1 1 104 GLN CB . . . . . . . . . . 368 . 27700 3 >> 82 1 1 . . 8.187 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 3 >> 82 2 1 . . 121.957 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 3 >> 82 3 1 . . 54.751 . . 1 1 1 117 ASN CA . . . . . . . . . . 375 . 27700 3 >> 83 1 1 . . 8.188 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 3 >> 83 2 1 . . 121.952 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 3 >> 83 3 1 . . 42.397 . . 1 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 3 >> 84 1 1 . . 8.072 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 3 >> 84 2 1 . . 109.993 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 3 >> 84 3 1 . . 48.142 . . 1 1 1 85 GLY CA . . . . . . . . . . 377 . 27700 3 >> 85 1 1 . . 9.390 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 3 >> 85 2 1 . . 121.666 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 3 >> 85 3 1 . . 58.931 . . 1 1 1 67 LEU CA . . . . . . . . . . 378 . 27700 3 >> 86 1 1 . . 9.393 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 3 >> 86 2 1 . . 121.676 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 3 >> 86 3 1 . . 40.630 . . 1 1 1 67 LEU CB . . . . . . . . . . 379 . 27700 3 >> 87 1 1 . . 8.460 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 3 >> 87 2 1 . . 120.511 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 3 >> 87 3 1 . . 29.905 . . 1 1 1 15 GLU CB . . . . . . . . . . 381 . 27700 3 >> 88 1 1 . . 8.460 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 3 >> 88 2 1 . . 120.511 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 3 >> 88 3 1 . . 57.429 . . 1 1 1 15 GLU CA . . . . . . . . . . 382 . 27700 3 >> 89 1 1 . . 8.301 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 3 >> 89 2 1 . . 123.162 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 3 >> 89 3 1 . . 62.330 . . 1 1 1 21 VAL CA . . . . . . . . . . 384 . 27700 3 >> 90 1 1 . . 8.345 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 3 >> 90 2 1 . . 118.849 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 3 >> 90 3 1 . . 69.898 . . 1 1 1 12 THR CB . . . . . . . . . . 473 . 27700 3 >> 91 1 1 . . 8.346 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 3 >> 91 2 1 . . 118.797 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 3 >> 91 3 1 . . 61.635 . . 1 1 1 12 THR CA . . . . . . . . . . 389 . 27700 3 >> 92 1 1 . . 8.379 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 3 >> 92 2 1 . . 121.617 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 3 >> 92 3 1 . . 62.308 . . 1 1 1 11 VAL CA . . . . . . . . . . 388 . 27700 3 >> 93 1 1 . . 8.376 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 3 >> 93 2 1 . . 121.616 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 3 >> 93 3 1 . . 32.794 . . 1 1 1 11 VAL CB . . . . . . . . . . 394 . 27700 3 >> 94 1 1 . . 8.385 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 3 >> 94 2 1 . . 120.508 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 3 >> 94 3 1 . . 69.889 . . 1 1 1 22 THR CB . . . . . . . . . . 317 . 27700 3 >> 95 1 1 . . 8.385 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 3 >> 95 2 1 . . 120.509 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 3 >> 95 3 1 . . 61.918 . . 1 1 1 22 THR CA . . . . . . . . . . 398 . 27700 3 >> 96 1 1 . . 8.503 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 3 >> 96 2 1 . . 120.486 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 3 >> 96 3 1 . . 38.680 . . 1 1 1 43 ASN CB . . . . . . . . . . 403 . 27700 3 >> 97 1 1 . . 8.503 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 3 >> 97 2 1 . . 120.500 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 3 >> 97 3 1 . . 53.088 . . 1 1 1 43 ASN CA . . . . . . . . . . 492 . 27700 3 >> 99 1 1 . . 8.279 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 3 >> 99 2 1 . . 118.861 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 3 >> 99 3 1 . . 58.207 . . 1 1 1 83 GLN CA . . . . . . . . . . 406 . 27700 3 >> 100 1 1 . . 8.122 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 3 >> 100 2 1 . . 116.339 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 3 >> 100 3 1 . . 39.430 . . 1 1 1 111 ASN CB . . . . . . . . . . 408 . 27700 3 >> 101 1 1 . . 8.121 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 3 >> 101 2 1 . . 116.332 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 3 >> 101 3 1 . . 52.873 . . 1 1 1 111 ASN CA . . . . . . . . . . 409 . 27700 3 >> 102 1 1 . . 7.742 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 3 >> 102 2 1 . . 120.436 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 3 >> 102 3 1 . . 41.919 . . 1 1 1 51 LEU CB . . . . . . . . . . 410 . 27700 3 >> 103 1 1 . . 7.741 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 3 >> 103 2 1 . . 120.437 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 3 >> 103 3 1 . . 57.668 . . 1 1 1 51 LEU CA . . . . . . . . . . 411 . 27700 3 >> 104 1 1 . . 8.411 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 >> 104 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 >> 104 3 1 . . 30.341 . . 1 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 3 >> 105 1 1 . . 8.404 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 >> 105 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 >> 105 3 1 . . 56.480 . . 1 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 3 >> 106 1 1 . . 8.809 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 3 >> 106 2 1 . . 121.365 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 3 >> 106 3 1 . . 42.178 . . 1 1 1 89 LEU CB . . . . . . . . . . 415 . 27700 3 >> 107 1 1 . . 8.808 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 3 >> 107 2 1 . . 121.360 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 3 >> 107 3 1 . . 58.227 . . 1 1 1 89 LEU CA . . . . . . . . . . 416 . 27700 3 >> 108 1 1 . . 7.489 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 3 >> 108 2 1 . . 105.025 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 3 >> 108 3 1 . . 47.610 . . 1 1 1 60 GLY CA . . . . . . . . . . 280 . 27700 3 >> 109 1 1 . . 8.075 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 3 >> 109 2 1 . . 120.391 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 3 >> 109 3 1 . . 32.663 . . 1 1 1 17 MET CB . . . . . . . . . . 440 . 27700 3 >> 110 1 1 . . 8.075 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 3 >> 110 2 1 . . 120.388 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 3 >> 110 3 1 . . 55.645 . . 1 1 1 17 MET CA . . . . . . . . . . 418 . 27700 3 >> 111 1 1 . . 8.973 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 3 >> 111 2 1 . . 122.475 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 3 >> 111 3 1 . . 61.036 . . 1 1 1 86 ARG CA . . . . . . . . . . 420 . 27700 3 >> 112 1 1 . . 8.973 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 3 >> 112 2 1 . . 122.468 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 3 >> 112 3 1 . . 29.213 . . 1 1 1 86 ARG CB . . . . . . . . . . 421 . 27700 3 >> 113 1 1 . . 8.329 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 3 >> 113 2 1 . . 124.019 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 3 >> 113 3 1 . . 55.060 . . 1 1 1 5 LEU CA . . . . . . . . . . 413 . 27700 3 >> 114 1 1 . . 8.329 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 3 >> 114 2 1 . . 124.018 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 3 >> 114 3 1 . . 42.401 . . 1 1 1 5 LEU CB . . . . . . . . . . 424 . 27700 3 >> 115 1 1 . . 7.430 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 3 >> 115 2 1 . . 121.343 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 3 >> 115 3 1 . . 57.857 . . 1 1 1 88 TYR CA . . . . . . . . . . 427 . 27700 3 >> 116 1 1 . . 7.431 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 3 >> 116 2 1 . . 121.341 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 3 >> 116 3 1 . . 34.916 . . 1 1 1 88 TYR CB . . . . . . . . . . 428 . 27700 3 >> 117 1 1 . . 8.385 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 3 >> 117 2 1 . . 124.459 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 3 >> 117 3 1 . . 56.371 . . 1 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 3 >> 118 1 1 . . 8.385 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 3 >> 118 2 1 . . 124.460 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 3 >> 118 3 2 . . 32.886 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 >> 119 1 1 . . 9.313 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 3 >> 119 2 1 . . 120.217 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 3 >> 119 3 1 . . 60.762 . . 1 1 1 71 TYR CA . . . . . . . . . . 277 . 27700 3 >> 120 1 1 . . 9.313 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 3 >> 120 2 1 . . 120.237 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 3 >> 120 3 1 . . 38.096 . . 1 1 1 71 TYR CB . . . . . . . . . . 431 . 27700 3 >> 121 1 1 . . 8.440 . . 1 1 1 46 GLY H . . . . . . . . . . 157 . 27700 3 >> 121 2 1 . . 109.834 . . 1 1 1 46 GLY N . . . . . . . . . . 158 . 27700 3 >> 121 3 2 . . 45.873 . . 1 1 1 46 GLY CA . . . . . . . . . . 565 . 27700 3 >> 122 1 1 . . 7.895 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 3 >> 122 2 1 . . 121.149 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 3 >> 122 3 1 . . 58.771 . . 1 1 1 50 GLN CA . . . . . . . . . . 437 . 27700 3 >> 123 1 1 . . 7.895 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 3 >> 123 2 1 . . 121.146 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 3 >> 123 3 1 . . 27.993 . . 1 1 1 50 GLN CB . . . . . . . . . . 438 . 27700 3 >> 124 1 1 . . 8.194 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 3 >> 124 2 1 . . 125.082 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 3 >> 124 3 1 . . 18.899 . . 1 1 1 18 ALA CB . . . . . . . . . . 442 . 27700 3 >> 125 1 1 . . 8.529 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 3 >> 125 2 1 . . 120.269 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 3 >> 125 3 1 . . 38.820 . . 1 1 1 70 ILE CB . . . . . . . . . . 444 . 27700 3 >> 126 1 1 . . 8.530 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 3 >> 126 2 1 . . 120.278 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 3 >> 126 3 1 . . 65.352 . . 1 1 1 70 ILE CA . . . . . . . . . . 430 . 27700 3 >> 127 1 1 . . 9.083 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 3 >> 127 2 1 . . 122.308 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 3 >> 127 3 1 . . 41.416 . . 1 1 1 116 LEU CB . . . . . . . . . . 447 . 27700 3 >> 128 1 1 . . 9.084 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 3 >> 128 2 1 . . 122.305 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 3 >> 128 3 1 . . 56.131 . . 1 1 1 116 LEU CA . . . . . . . . . . 446 . 27700 3 >> 129 1 1 . . 9.036 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 3 >> 129 2 1 . . 125.166 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 3 >> 129 3 1 . . 54.816 . . 1 1 1 74 ALA CA . . . . . . . . . . 450 . 27700 3 >> 130 1 1 . . 9.035 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 3 >> 130 2 1 . . 125.173 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 3 >> 130 3 1 . . 18.724 . . 1 1 1 74 ALA CB . . . . . . . . . . 361 . 27700 3 >> 131 1 1 . . 8.626 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 3 >> 131 2 1 . . 121.087 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 3 >> 131 3 1 . . 38.841 . . 1 1 1 38 ASN CB . . . . . . . . . . 452 . 27700 3 >> 132 1 1 . . 8.626 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 3 >> 132 2 1 . . 121.087 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 3 >> 132 3 1 . . 53.160 . . 1 1 1 38 ASN CA . . . . . . . . . . 453 . 27700 3 >> 133 1 1 . . 8.077 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 3 >> 133 2 1 . . 128.923 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 3 >> 133 3 1 . . 33.457 . . 1 1 1 119 LYS CB . . . . . . . . . . 455 . 27700 3 >> 134 1 1 . . 8.077 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 3 >> 134 2 1 . . 128.923 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 3 >> 134 3 1 . . 57.825 . . 1 1 1 119 LYS CA . . . . . . . . . . 456 . 27700 3 >> 135 1 1 . . 8.587 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 3 >> 135 2 1 . . 120.168 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 3 >> 135 3 1 . . 55.806 . . 1 1 1 68 ALA CA . . . . . . . . . . 458 . 27700 3 >> 136 1 1 . . 8.587 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 3 >> 136 2 1 . . 120.172 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 3 >> 136 3 1 . . 18.169 . . 1 1 1 68 ALA CB . . . . . . . . . . 459 . 27700 3 >> 137 1 1 . . 8.542 . . 1 1 1 93 ILE H . . . . . . . . . . 173 . 27700 3 >> 137 2 1 . . 122.174 . . 1 1 1 93 ILE N . . . . . . . . . . 174 . 27700 3 >> 137 3 1 . . 37.770 . . 1 1 1 93 ILE CB . . . . . . . . . . 461 . 27700 3 >> 138 1 1 . . 8.441 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 3 >> 138 2 1 . . 120.987 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 3 >> 138 3 1 . . 59.623 . . 1 1 1 57 ARG CA . . . . . . . . . . 465 . 27700 3 >> 139 1 1 . . 8.440 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 3 >> 139 2 1 . . 120.989 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 3 >> 139 3 1 . . 30.349 . . 1 1 1 57 ARG CB . . . . . . . . . . 466 . 27700 3 >> 140 1 1 . . 8.326 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 3 >> 140 2 1 . . 120.184 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 3 >> 140 3 1 . . 42.519 . . 1 1 1 96 LEU CB . . . . . . . . . . 467 . 27700 3 >> 141 1 1 . . 8.325 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 3 >> 141 2 1 . . 120.189 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 3 >> 141 3 1 . . 56.076 . . 1 1 1 96 LEU CA . . . . . . . . . . 468 . 27700 3 >> 142 1 1 . . 7.608 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 3 >> 142 2 1 . . 122.081 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 3 >> 142 3 1 . . 55.032 . . 1 1 1 95 ALA CA . . . . . . . . . . 470 . 27700 3 >> 143 1 1 . . 7.609 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 3 >> 143 2 1 . . 122.078 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 3 >> 143 3 1 . . 18.065 . . 1 1 1 95 ALA CB . . . . . . . . . . 471 . 27700 3 >> 144 1 1 . . 8.173 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 3 >> 144 2 1 . . 121.032 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 3 >> 144 3 1 . . 56.325 . . 1 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 3 >> 145 1 1 . . 8.173 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 3 >> 145 2 1 . . 121.036 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 3 >> 145 3 1 . . 32.924 . . 1 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 3 >> 146 1 1 . . 8.211 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 3 >> 146 2 1 . . 116.981 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 3 >> 147 1 1 . . 8.211 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 3 >> 147 2 1 . . 116.981 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 3 >> 148 1 1 . . 8.832 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 3 >> 148 2 1 . . 120.008 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 3 >> 148 3 1 . . 37.437 . . 1 1 1 115 LYS CB . . . . . . . . . . 477 . 27700 3 >> 149 1 1 . . 8.833 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 3 >> 149 2 1 . . 120.005 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 3 >> 149 3 1 . . 53.400 . . 1 1 1 115 LYS CA . . . . . . . . . . 476 . 27700 3 >> 150 1 1 . . 8.773 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 3 >> 150 2 1 . . 121.923 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 3 >> 150 3 1 . . 65.433 . . 1 1 1 66 SER CB . . . . . . . . . . 479 . 27700 3 >> 151 1 1 . . 8.774 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 3 >> 151 2 1 . . 121.927 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 3 >> 151 3 1 . . 56.816 . . 1 1 1 66 SER CA . . . . . . . . . . 480 . 27700 3 >> 152 1 1 . . 7.965 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 3 >> 152 2 1 . . 121.010 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 3 >> 152 3 1 . . 28.242 . . 1 1 1 98 GLN CB . . . . . . . . . . 483 . 27700 3 >> 153 1 1 . . 7.964 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 3 >> 153 2 1 . . 121.015 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 3 >> 153 3 1 . . 58.923 . . 1 1 1 98 GLN CA . . . . . . . . . . 484 . 27700 3 >> 154 1 1 . . 7.024 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 3 >> 154 2 1 . . 104.614 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 3 >> 154 3 1 . . 44.813 . . 1 1 1 64 GLY CA . . . . . . . . . . 485 . 27700 3 >> 155 1 1 . . 8.032 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 3 >> 155 2 1 . . 120.040 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 3 >> 155 3 1 . . 60.860 . . 1 1 1 90 LYS CA . . . . . . . . . . 488 . 27700 3 >> 156 1 1 . . 8.032 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 3 >> 156 2 1 . . 120.038 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 3 >> 156 3 1 . . 32.222 . . 1 1 1 90 LYS CB . . . . . . . . . . 489 . 27700 3 >> 157 1 1 . . 8.308 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 3 >> 157 2 1 . . 121.932 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 3 >> 157 3 1 . . 54.098 . . 1 1 1 44 GLN CA . . . . . . . . . . 494 . 27700 3 >> 158 1 1 . . 8.309 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 3 >> 158 2 1 . . 121.942 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 3 >> 158 3 1 . . 28.738 . . 1 1 1 44 GLN CB . . . . . . . . . . 493 . 27700 3 >> 159 1 1 . . 7.869 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 3 >> 159 2 1 . . 120.632 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 3 >> 159 3 1 . . 58.680 . . 1 1 1 69 LYS CA . . . . . . . . . . 443 . 27700 3 >> 160 1 1 . . 7.868 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 3 >> 160 2 1 . . 120.638 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 3 >> 160 3 1 . . 32.672 . . 1 1 1 69 LYS CB . . . . . . . . . . 496 . 27700 3 >> 161 1 1 . . 8.482 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 3 >> 161 2 1 . . 109.476 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 3 >> 161 3 1 . . 45.204 . . 1 1 1 25 GLY CA . . . . . . . . . . 308 . 27700 3 >> 162 1 1 . . 8.678 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 3 >> 162 2 1 . . 112.665 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 3 >> 162 3 1 . . 45.695 . . 1 1 1 109 GLY CA . . . . . . . . . . 500 . 27700 3 >> 163 1 1 . . 8.700 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 3 >> 163 2 1 . . 115.010 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 3 >> 163 3 1 . . 51.844 . . 1 1 1 63 ASN CA . . . . . . . . . . 504 . 27700 3 >> 164 1 1 . . 8.699 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 3 >> 164 2 1 . . 115.003 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 3 >> 164 3 1 . . 38.479 . . 1 1 1 63 ASN CB . . . . . . . . . . 505 . 27700 3 >> 165 1 1 . . 8.038 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 3 >> 165 2 1 . . 117.080 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 3 >> 165 3 1 . . 64.314 . . 1 1 1 31 SER CB . . . . . . . . . . 508 . 27700 3 >> 166 1 1 . . 8.037 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 3 >> 166 2 1 . . 117.073 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 3 >> 166 3 1 . . 55.214 . . 1 1 1 31 SER CA . . . . . . . . . . 507 . 27700 3 >> 167 1 1 . . 8.362 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 3 >> 167 2 1 . . 116.453 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 3 >> 167 3 1 . . 63.783 . . 1 1 1 27 SER CB . . . . . . . . . . 510 . 27700 3 >> 168 1 1 . . 8.362 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 3 >> 168 2 1 . . 116.451 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 3 >> 168 3 1 . . 58.387 . . 1 1 1 27 SER CA . . . . . . . . . . 233 . 27700 3 >> 169 1 1 . . 8.187 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 3 >> 169 2 1 . . 122.324 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 3 >> 169 3 1 . . 55.045 . . 1 1 1 30 LEU CA . . . . . . . . . . 512 . 27700 3 >> 170 1 1 . . 8.187 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 3 >> 170 2 1 . . 122.343 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 3 >> 170 3 1 . . 42.372 . . 1 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 3 >> 171 1 1 . . 8.001 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 3 >> 171 2 1 . . 115.672 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 3 >> 171 3 1 . . 52.781 . . 1 1 1 84 ASN CA . . . . . . . . . . 515 . 27700 3 >> 172 1 1 . . 8.000 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 3 >> 172 2 1 . . 115.684 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 3 >> 172 3 1 . . 41.388 . . 1 1 1 84 ASN CB . . . . . . . . . . 376 . 27700 3 >> 173 1 1 . . 8.379 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 3 >> 173 2 1 . . 110.153 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 3 >> 173 3 1 . . 45.559 . . 1 1 1 16 GLY CA . . . . . . . . . . 517 . 27700 3 >> 174 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . 386 . 27700 3 >> 174 2 1 . . 118.958 . . 1 . . . . . . . . . . . . . . . 385 . 27700 3 >> 174 3 1 . . 56.332 . . 1 . . . . . . . . . . . . . . . 522 . 27700 3 >> 175 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . 386 . 27700 3 >> 175 2 1 . . 118.955 . . 1 . . . . . . . . . . . . . . . 385 . 27700 3 >> 175 3 1 . . 63.150 . . 1 . . . . . . . . . . . . . . . 523 . 27700 3 >> 176 1 2 . . 8.311 . . 1 1 1 26 GLY H . . . . . . . . . . 53 . 27700 3 >> 176 2 1 . . 109.375 . . 1 1 1 26 GLY N . . . . . . . . . . 54 . 27700 3 >> 176 3 1 . . 45.086 . . 1 1 1 26 GLY CA . . . . . . . . . . 526 . 27700 3 >> 177 1 1 . . 8.193 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 3 >> 177 2 1 . . 125.094 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 3 >> 177 3 1 . . 52.828 . . 1 1 1 18 ALA CA . . . . . . . . . . 525 . 27700 3 >> 178 1 1 . . 8.443 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 3 >> 178 2 1 . . 123.479 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 3 >> 178 3 1 . . 56.287 . . 1 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 3 >> 179 1 1 . . 8.442 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 3 >> 179 2 1 . . 123.479 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 3 >> 179 3 1 . . 33.014 . . 1 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 3 >> 180 1 1 . . 8.305 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 3 >> 180 2 1 . . 123.226 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 3 >> 180 3 1 . . 32.848 . . 1 1 1 21 VAL CB . . . . . . . . . . 397 . 27700 3 >> 181 1 1 . . 8.188 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 3 >> 181 2 1 . . 123.629 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 3 >> 181 3 1 . . 52.139 . . 1 1 1 29 ALA CA . . . . . . . . . . 528 . 27700 3 >> 182 1 1 . . 8.189 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 3 >> 182 2 1 . . 123.629 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 3 >> 182 3 1 . . 18.992 . . 1 1 1 29 ALA CB . . . . . . . . . . 529 . 27700 3 >> 183 1 1 . . 8.322 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 3 >> 183 2 1 . . 123.423 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 3 >> 183 3 2 . . 32.891 . . 1 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 3 >> 184 1 1 . . 8.325 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 3 >> 184 2 1 . . 123.437 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 3 >> 184 3 2 . . 56.384 . . 1 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 3 >> 185 1 1 . . 8.427 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 3 >> 185 2 1 . . 123.791 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 3 >> 185 3 1 . . 55.948 . . 1 1 1 36 ARG CA . . . . . . . . . . 530 . 27700 3 >> 186 1 1 . . 8.362 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 3 >> 186 2 1 . . 123.691 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 3 >> 186 3 1 . . 31.429 . . 1 1 1 52 VAL CB . . . . . . . . . . 532 . 27700 3 >> 187 1 1 . . 6.738 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 3 >> 187 2 1 . . 117.567 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 3 >> 187 3 1 . . 33.424 . . 1 1 1 76 LYS CB . . . . . . . . . . 540 . 27700 3 >> 190 1 1 . . 8.278 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 3 >> 190 2 1 . . 118.861 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 3 >> 190 3 1 . . 176.973 . . 1 1 1 83 GLN C . . . . . . . . . . 543 . 27700 3 >> 191 1 1 . . 7.423 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 >> 191 2 1 . . 117.244 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 >> 191 3 1 . . 176.073 . . 1 1 1 87 THR C . . . . . . . . . . 425 . 27700 3 >> 192 1 1 . . 8.541 . . 1 1 1 93 ILE H . . . . . . . . . . 173 . 27700 3 >> 192 2 1 . . 122.182 . . 1 1 1 93 ILE N . . . . . . . . . . 174 . 27700 3 >> 192 3 1 . . 66.317 . . 1 1 1 93 ILE CA . . . . . . . . . . 545 . 27700 3 >> 193 1 1 . . 8.461 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 3 >> 193 2 1 . . 123.067 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 3 >> 193 3 1 . . 65.206 . . 1 1 1 97 VAL CA . . . . . . . . . . 482 . 27700 3 >> 194 1 1 . . 8.461 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 3 >> 194 2 1 . . 123.075 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 3 >> 194 3 1 . . 32.226 . . 1 1 1 97 VAL CB . . . . . . . . . . 548 . 27700 3 >> 195 1 1 . . 8.423 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 >> 195 2 1 . . 123.113 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 >> 195 3 1 . . 56.384 . . 1 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 3 >> 196 1 1 . . 8.422 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 >> 196 2 1 . . 123.113 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 >> 196 3 1 . . 30.367 . . 1 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 3 >> 197 1 1 . . 9.242 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 3 >> 197 2 1 . . 128.485 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 3 >> 197 3 1 . . 59.474 . . 1 1 1 62 ARG CA . . . . . . . . . . 503 . 27700 3 >> 198 1 1 . . 9.241 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 3 >> 198 2 1 . . 128.485 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 3 >> 198 3 1 . . 30.117 . . 1 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 3 >> 199 1 1 . . 8.358 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 >> 199 2 1 . . 110.363 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 >> 199 3 1 . . 44.854 . . 1 1 1 107 GLY CA . . . . . . . . . . 349 . 27700 3 >> 200 1 1 . . 8.374 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 >> 200 2 1 . . 110.363 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 >> 200 3 1 . . 29.884 . . 1 1 1 106 LYS CB . . . . . . . . . . 555 . 27700 3 >> 201 1 1 . . 8.377 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 >> 201 2 1 . . 110.363 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 >> 201 3 1 . . 57.455 . . 1 1 1 106 LYS CA . . . . . . . . . . 556 . 27700 3 >> 202 1 1 . . 8.281 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 3 >> 202 2 1 . . 123.682 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 3 >> 202 3 1 . . 32.962 . . 1 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 3 >> 203 1 1 . . 8.281 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 3 >> 203 2 1 . . 123.683 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 3 >> 203 3 1 . . 56.340 . . 1 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 3 >> 204 1 1 . . 8.420 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 3 >> 204 2 1 . . 116.570 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 3 >> 204 3 1 . . 63.697 . . 1 1 1 33 SER CB . . . . . . . . . . 429 . 27700 3 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $NGH1x_low_ionic_strength _Sample_conditions_label $CondSet14 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 >> _Spectral_peak_list.Entry_ID 27700 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength >> _Spectral_peak_list.Sample_condition_list_ID 4 >> _Spectral_peak_list.Sample_condition_list_label $CondSet14 >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 5172.65981735 . . . . . . . 27700 4 >> 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 4 >> 3 . . C 13 13C . . 16722.40802680 . . . . . . . 27700 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27700 4 >> 2 1.0 . . 27700 4 >> 3 1.0 . . 27700 4 >> 4 1.0 . . 27700 4 >> 5 1.0 . . 27700 4 >> 6 1.0 . . 27700 4 >> 7 1.0 . . 27700 4 >> 8 1.0 . . 27700 4 >> 9 1.0 . . 27700 4 >> 10 1.0 . . 27700 4 >> 11 1.0 . . 27700 4 >> 12 1.0 . . 27700 4 >> 13 1.0 . . 27700 4 >> 14 1.0 . . 27700 4 >> 15 1.0 . . 27700 4 >> 16 1.0 . . 27700 4 >> 17 1.0 . . 27700 4 >> 18 1.0 . . 27700 4 >> 19 1.0 . . 27700 4 >> 20 1.0 . . 27700 4 >> 21 1.0 . . 27700 4 >> 22 1.0 . . 27700 4 >> 23 1.0 . . 27700 4 >> 24 1.0 . . 27700 4 >> 25 1.0 . . 27700 4 >> 26 1.0 . . 27700 4 >> 27 1.0 . . 27700 4 >> 28 1.0 . . 27700 4 >> 29 1.0 . . 27700 4 >> 30 1.0 . . 27700 4 >> 31 1.0 . . 27700 4 >> 32 1.0 . . 27700 4 >> 33 1.0 . . 27700 4 >> 34 1.0 . . 27700 4 >> 35 1.0 . . 27700 4 >> 36 1.0 . . 27700 4 >> 37 1.0 . . 27700 4 >> 38 1.0 . . 27700 4 >> 39 1.0 . . 27700 4 >> 40 1.0 . . 27700 4 >> 41 1.0 . . 27700 4 >> 42 1.0 . . 27700 4 >> 43 1.0 . . 27700 4 >> 44 1.0 . . 27700 4 >> 45 1.0 . . 27700 4 >> 46 1.0 . . 27700 4 >> 47 1.0 . . 27700 4 >> 48 1.0 . . 27700 4 >> 49 1.0 . . 27700 4 >> 50 1.0 . . 27700 4 >> 51 1.0 . . 27700 4 >> 52 1.0 . . 27700 4 >> 53 1.0 . . 27700 4 >> 54 1.0 . . 27700 4 >> 55 1.0 . . 27700 4 >> 56 1.0 . . 27700 4 >> 57 1.0 . . 27700 4 >> 58 1.0 . . 27700 4 >> 59 1.0 . . 27700 4 >> 60 1.0 . . 27700 4 >> 61 1.0 . . 27700 4 >> 62 1.0 . . 27700 4 >> 63 1.0 . . 27700 4 >> 64 1.0 . . 27700 4 >> 65 1.0 . . 27700 4 >> 66 1.0 . . 27700 4 >> 67 1.0 . . 27700 4 >> 68 1.0 . . 27700 4 >> 69 1.0 . . 27700 4 >> 70 1.0 . . 27700 4 >> 71 1.0 . . 27700 4 >> 72 1.0 . . 27700 4 >> 73 1.0 . . 27700 4 >> 74 1.0 . . 27700 4 >> 75 1.0 . . 27700 4 >> 76 1.0 . . 27700 4 >> 77 1.0 . . 27700 4 >> 78 1.0 . . 27700 4 >> 79 1.0 . . 27700 4 >> 80 1.0 . . 27700 4 >> 81 1.0 . . 27700 4 >> 82 1.0 . . 27700 4 >> 83 1.0 . . 27700 4 >> 84 1.0 . . 27700 4 >> 85 1.0 . . 27700 4 >> 86 1.0 . . 27700 4 >> 87 1.0 . . 27700 4 >> 88 1.0 . . 27700 4 >> 89 1.0 . . 27700 4 >> 90 1.0 . . 27700 4 >> 91 1.0 . . 27700 4 >> 92 1.0 . . 27700 4 >> 93 1.0 . . 27700 4 >> 94 1.0 . . 27700 4 >> 95 1.0 . . 27700 4 >> 96 1.0 . . 27700 4 >> 97 1.0 . . 27700 4 >> 98 1.0 . . 27700 4 >> 99 1.0 . . 27700 4 >> 100 1.0 . . 27700 4 >> 101 1.0 . . 27700 4 >> 102 1.0 . . 27700 4 >> 103 1.0 . . 27700 4 >> 104 1.0 . . 27700 4 >> 105 1.0 . . 27700 4 >> 106 1.0 . . 27700 4 >> 107 1.0 . . 27700 4 >> 108 1.0 . . 27700 4 >> 109 1.0 . . 27700 4 >> 110 1.0 . . 27700 4 >> 111 1.0 . . 27700 4 >> 112 1.0 . . 27700 4 >> 113 1.0 . . 27700 4 >> 114 1.0 . . 27700 4 >> 115 1.0 . . 27700 4 >> 116 1.0 . . 27700 4 >> 117 1.0 . . 27700 4 >> 118 1.0 . . 27700 4 >> 119 1.0 . . 27700 4 >> 120 1.0 . . 27700 4 >> 121 1.0 . . 27700 4 >> 122 1.0 . . 27700 4 >> 123 1.0 . . 27700 4 >> 124 1.0 . . 27700 4 >> 125 1.0 . . 27700 4 >> 126 1.0 . . 27700 4 >> 127 1.0 . . 27700 4 >> 128 1.0 . . 27700 4 >> 129 1.0 . . 27700 4 >> 130 1.0 . . 27700 4 >> 131 1.0 . . 27700 4 >> 132 1.0 . . 27700 4 >> 133 1.0 . . 27700 4 >> 134 1.0 . . 27700 4 >> 135 1.0 . . 27700 4 >> 136 1.0 . . 27700 4 >> 137 1.0 . . 27700 4 >> 138 1.0 . . 27700 4 >> 139 1.0 . . 27700 4 >> 140 1.0 . . 27700 4 >> 141 1.0 . . 27700 4 >> 142 1.0 . . 27700 4 >> 143 1.0 . . 27700 4 >> 144 1.0 . . 27700 4 >> 145 1.0 . . 27700 4 >> 146 1.0 . . 27700 4 >> 147 1.0 . . 27700 4 >> 148 1.0 . . 27700 4 >> 149 1.0 . . 27700 4 >> 150 1.0 . . 27700 4 >> 151 1.0 . . 27700 4 >> 152 1.0 . . 27700 4 >> 153 1.0 . . 27700 4 >> 154 1.0 . . 27700 4 >> 155 1.0 . . 27700 4 >> 156 1.0 . . 27700 4 >> 157 1.0 . . 27700 4 >> 158 1.0 . . 27700 4 >> 159 1.0 . . 27700 4 >> 160 1.0 . . 27700 4 >> 161 1.0 . . 27700 4 >> 162 1.0 . . 27700 4 >> 163 1.0 . . 27700 4 >> 164 1.0 . . 27700 4 >> 165 1.0 . . 27700 4 >> 166 1.0 . . 27700 4 >> 167 1.0 . . 27700 4 >> 168 1.0 . . 27700 4 >> 169 1.0 . . 27700 4 >> 170 1.0 . . 27700 4 >> 171 1.0 . . 27700 4 >> 172 1.0 . . 27700 4 >> 173 1.0 . . 27700 4 >> 174 1.0 . . 27700 4 >> 175 1.0 . . 27700 4 >> 176 1.0 . . 27700 4 >> 177 1.0 . . 27700 4 >> 178 1.0 . . 27700 4 >> 179 1.0 . . 27700 4 >> 180 1.0 . . 27700 4 >> 181 1.0 . . 27700 4 >> 182 1.0 . . 27700 4 >> 183 1.0 . . 27700 4 >> 184 1.0 . . 27700 4 >> 185 1.0 . . 27700 4 >> 186 1.0 . . 27700 4 >> 187 1.0 . . 27700 4 >> 188 1.0 . . 27700 4 >> 189 1.0 . . 27700 4 >> 190 1.0 . . 27700 4 >> 191 1.0 . . 27700 4 >> 192 1.0 . . 27700 4 >> 193 1.0 . . 27700 4 >> 194 1.0 . . 27700 4 >> 195 1.0 . . 27700 4 >> 196 1.0 . . 27700 4 >> 197 1.0 . . 27700 4 >> 198 1.0 . . 27700 4 >> 199 1.0 . . 27700 4 >> 200 1.0 . . 27700 4 >> 201 1.0 . . 27700 4 >> 202 1.0 . . 27700 4 >> 203 1.0 . . 27700 4 >> 204 1.0 . . 27700 4 >> 205 1.0 . . 27700 4 >> 206 1.0 . . 27700 4 >> 207 1.0 . . 27700 4 >> 208 1.0 . . 27700 4 >> 209 1.0 . . 27700 4 >> 210 1.0 . . 27700 4 >> 211 1.0 . . 27700 4 >> 212 1.0 . . 27700 4 >> 213 1.0 . . 27700 4 >> 214 1.0 . . 27700 4 >> 215 1.0 . . 27700 4 >> 216 1.0 . . 27700 4 >> 217 1.0 . . 27700 4 >> 218 1.0 . . 27700 4 >> 219 1.0 . . 27700 4 >> 220 1.0 . . 27700 4 >> 221 1.0 . . 27700 4 >> 222 1.0 . . 27700 4 >> 223 1.0 . . 27700 4 >> 224 1.0 . . 27700 4 >> 225 1.0 . . 27700 4 >> 226 1.0 . . 27700 4 >> 227 1.0 . . 27700 4 >> 228 1.0 . . 27700 4 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 54196.0 . height 27700 4 >> 1 805576.0 . volume 27700 4 >> 2 -52065.5 . height 27700 4 >> 2 -794237.5 . volume 27700 4 >> 3 49254.5 . height 27700 4 >> 3 816365.5 . volume 27700 4 >> 4 -77333.0 . height 27700 4 >> 4 -1026660.0 . volume 27700 4 >> 5 85358.0 . height 27700 4 >> 5 1270376.0 . volume 27700 4 >> 6 -56368.5 . height 27700 4 >> 6 -869845.5 . volume 27700 4 >> 7 135109.5 . height 27700 4 >> 7 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3262152.0 . height 27700 4 >> 38 37033778.0 . volume 27700 4 >> 39 86425.5 . height 27700 4 >> 39 1221146.0 . volume 27700 4 >> 40 -55751.0 . height 27700 4 >> 40 -723283.5 . volume 27700 4 >> 41 166034.0 . height 27700 4 >> 41 2316518.5 . volume 27700 4 >> 42 -3111214.5 . height 27700 4 >> 42 -38049460.0 . volume 27700 4 >> 43 3488142.5 . height 27700 4 >> 43 42020172.0 . volume 27700 4 >> 44 22659.5 . height 27700 4 >> 44 142410.0 . volume 27700 4 >> 45 127970.5 . height 27700 4 >> 45 1808905.5 . volume 27700 4 >> 46 -320444.0 . height 27700 4 >> 46 -3517981.0 . volume 27700 4 >> 47 298083.0 . height 27700 4 >> 47 4163876.0 . volume 27700 4 >> 48 5356.0 . height 27700 4 >> 48 -25240.5 . volume 27700 4 >> 49 -4838.5 . height 27700 4 >> 49 -49389.5 . volume 27700 4 >> 50 -61926.0 . height 27700 4 >> 50 -886796.5 . volume 27700 4 >> 51 82511.5 . height 27700 4 >> 51 1193849.5 . volume 27700 4 >> 52 16601.0 . height 27700 4 >> 52 377849.0 . volume 27700 4 >> 53 71643.5 . height 27700 4 >> 53 995419.0 . volume 27700 4 >> 54 -53985.5 . height 27700 4 >> 54 -822021.5 . volume 27700 4 >> 55 -134161.0 . height 27700 4 >> 55 -1832891.0 . volume 27700 4 >> 56 90577.5 . height 27700 4 >> 56 1235342.0 . volume 27700 4 >> 57 108908.0 . height 27700 4 >> 57 1450384.5 . volume 27700 4 >> 58 -129948.5 . height 27700 4 >> 58 -1807844.5 . volume 27700 4 >> 59 9534115.0 . height 27700 4 >> 59 100906289.0 . volume 27700 4 >> 60 -73908.0 . height 27700 4 >> 60 -979885.5 . volume 27700 4 >> 61 130249.0 . height 27700 4 >> 61 1694876.5 . volume 27700 4 >> 62 -3330352.5 . height 27700 4 >> 62 -39710003.5 . volume 27700 4 >> 63 4143585.0 . height 27700 4 >> 63 48211834.0 . volume 27700 4 >> 64 22805.5 . height 27700 4 >> 64 81314.0 . volume 27700 4 >> 65 -38165.0 . height 27700 4 >> 65 -216768.5 . volume 27700 4 >> 66 2499473.5 . height 27700 4 >> 66 30896068.5 . volume 27700 4 >> 67 -2475297.0 . height 27700 4 >> 67 -30986444.5 . volume 27700 4 >> 68 247416.0 . height 27700 4 >> 68 3317270.5 . volume 27700 4 >> 69 -246607.0 . height 27700 4 >> 69 -3528427.0 . volume 27700 4 >> 70 527169.5 . height 27700 4 >> 70 6490253.5 . volume 27700 4 >> 71 -634524.0 . height 27700 4 >> 71 -8398511.5 . volume 27700 4 >> 72 -3582227.0 . height 27700 4 >> 72 -42434889.0 . volume 27700 4 >> 73 4912087.0 . height 27700 4 >> 73 58206155.0 . volume 27700 4 >> 74 -54427.0 . height 27700 4 >> 74 -805797.0 . volume 27700 4 >> 75 72740.0 . height 27700 4 >> 75 1070272.0 . volume 27700 4 >> 76 93143.5 . height 27700 4 >> 76 1291709.5 . volume 27700 4 >> 77 -62447.5 . height 27700 4 >> 77 -964463.0 . volume 27700 4 >> 78 -38092.0 . height 27700 4 >> 78 -557087.5 . volume 27700 4 >> 79 35526.5 . height 27700 4 >> 79 526890.0 . volume 27700 4 >> 80 84893.0 . height 27700 4 >> 80 1131891.0 . volume 27700 4 >> 81 -48098.0 . height 27700 4 >> 81 -769748.5 . volume 27700 4 >> 82 -3126337.5 . height 27700 4 >> 82 -35109292.0 . volume 27700 4 >> 83 3558062.0 . height 27700 4 >> 83 41972227.5 . volume 27700 4 >> 84 -61541.0 . height 27700 4 >> 84 -974224.5 . volume 27700 4 >> 85 106181.5 . height 27700 4 >> 85 1568462.0 . volume 27700 4 >> 86 -1479888.0 . height 27700 4 >> 86 -18973587.5 . volume 27700 4 >> 87 1846857.5 . height 27700 4 >> 87 23467199.5 . volume 27700 4 >> 88 222844.5 . height 27700 4 >> 88 2964186.0 . volume 27700 4 >> 89 97810.5 . height 27700 4 >> 89 1416873.0 . volume 27700 4 >> 90 58090.0 . height 27700 4 >> 90 851327.5 . volume 27700 4 >> 91 -52716.5 . height 27700 4 >> 91 -771975.0 . volume 27700 4 >> 92 -61233.5 . height 27700 4 >> 92 -851772.0 . volume 27700 4 >> 93 88203.5 . height 27700 4 >> 93 1291691.5 . volume 27700 4 >> 94 123914.5 . height 27700 4 >> 94 1592217.0 . volume 27700 4 >> 95 -110578.5 . height 27700 4 >> 95 -1459542.5 . volume 27700 4 >> 96 -268136.0 . height 27700 4 >> 96 -3298819.5 . volume 27700 4 >> 97 271098.0 . height 27700 4 >> 97 3281703.5 . volume 27700 4 >> 98 1390302.5 . height 27700 4 >> 98 17248353.5 . volume 27700 4 >> 99 -992095.5 . height 27700 4 >> 99 -12747553.5 . volume 27700 4 >> 100 43191.5 . height 27700 4 >> 100 731216.0 . volume 27700 4 >> 101 113810.0 . height 27700 4 >> 101 1601510.5 . volume 27700 4 >> 102 -92334.5 . height 27700 4 >> 102 -1289330.5 . volume 27700 4 >> 103 -695867.0 . height 27700 4 >> 103 -9592925.0 . volume 27700 4 >> 104 841931.5 . height 27700 4 >> 104 12700727.0 . volume 27700 4 >> 105 -4449031.5 . height 27700 4 >> 105 -56376971.5 . volume 27700 4 >> 106 -1397895.0 . height 27700 4 >> 106 -26830632.5 . volume 27700 4 >> 107 1819885.5 . height 27700 4 >> 107 34181134.0 . volume 27700 4 >> 108 4318718.0 . height 27700 4 >> 108 50235554.5 . volume 27700 4 >> 109 -3801203.5 . height 27700 4 >> 109 -44367421.0 . volume 27700 4 >> 110 46786.5 . height 27700 4 >> 110 698437.0 . volume 27700 4 >> 111 -45032.5 . height 27700 4 >> 111 -703264.0 . volume 27700 4 >> 112 38448.5 . height 27700 4 >> 112 495803.5 . volume 27700 4 >> 113 -38567.0 . height 27700 4 >> 113 -472344.5 . volume 27700 4 >> 114 4061527.0 . height 27700 4 >> 114 45293530.0 . volume 27700 4 >> 115 -3693842.5 . height 27700 4 >> 115 -40198739.5 . volume 27700 4 >> 116 5276391.0 . height 27700 4 >> 116 68339515.5 . volume 27700 4 >> 117 -2697028.0 . height 27700 4 >> 117 -44618266.0 . volume 27700 4 >> 118 -15486.0 . height 27700 4 >> 118 -76172.5 . volume 27700 4 >> 119 -2251247.5 . height 27700 4 >> 119 -27435819.5 . volume 27700 4 >> 120 3151303.0 . height 27700 4 >> 120 37375077.0 . volume 27700 4 >> 121 66547.5 . height 27700 4 >> 121 4686234.0 . volume 27700 4 >> 122 3122511.0 . height 27700 4 >> 122 39483565.0 . volume 27700 4 >> 123 -2209390.5 . height 27700 4 >> 123 -27340065.5 . volume 27700 4 >> 124 -886.5 . height 27700 4 >> 124 4225178.0 . volume 27700 4 >> 125 -61124.5 . height 27700 4 >> 125 -1267186.0 . volume 27700 4 >> 126 3841219.0 . height 27700 4 >> 126 43751562.0 . volume 27700 4 >> 127 -2724457.0 . height 27700 4 >> 127 -32624445.5 . volume 27700 4 >> 128 -4378811.0 . height 27700 4 >> 128 -52658682.0 . volume 27700 4 >> 129 5149832.5 . height 27700 4 >> 129 60781547.0 . volume 27700 4 >> 130 -2655009.5 . height 27700 4 >> 130 -32817554.0 . volume 27700 4 >> 131 3547175.0 . height 27700 4 >> 131 42081992.5 . volume 27700 4 >> 132 329455.0 . height 27700 4 >> 132 4375615.5 . volume 27700 4 >> 133 -290017.0 . height 27700 4 >> 133 -3663148.5 . volume 27700 4 >> 134 -51961.0 . height 27700 4 >> 134 -843115.0 . volume 27700 4 >> 135 64588.5 . height 27700 4 >> 135 1069333.5 . volume 27700 4 >> 136 -100647.0 . height 27700 4 >> 136 -1360336.0 . volume 27700 4 >> 137 149088.0 . height 27700 4 >> 137 2005525.0 . volume 27700 4 >> 138 531887.0 . height 27700 4 >> 138 6756506.0 . volume 27700 4 >> 139 -486699.5 . height 27700 4 >> 139 -6220075.0 . volume 27700 4 >> 140 -59515.0 . height 27700 4 >> 140 -883590.0 . volume 27700 4 >> 141 70636.5 . height 27700 4 >> 141 1006162.5 . volume 27700 4 >> 142 -2287769.5 . height 27700 4 >> 142 -30626650.0 . volume 27700 4 >> 143 3090873.5 . height 27700 4 >> 143 39346391.0 . volume 27700 4 >> 144 -4276.5 . height 27700 4 >> 144 -4164719.0 . volume 27700 4 >> 145 6224.5 . height 27700 4 >> 145 3407589.5 . volume 27700 4 >> 146 -29031.5 . height 27700 4 >> 146 -404349.0 . volume 27700 4 >> 147 60412.5 . height 27700 4 >> 147 802076.0 . volume 27700 4 >> 148 -80714.0 . height 27700 4 >> 148 -1145212.0 . volume 27700 4 >> 149 118556.5 . height 27700 4 >> 149 1567573.0 . volume 27700 4 >> 150 7215034.5 . height 27700 4 >> 150 79073228.0 . volume 27700 4 >> 151 95409.5 . height 27700 4 >> 151 1309871.0 . volume 27700 4 >> 152 -3178696.5 . height 27700 4 >> 152 -37651934.5 . volume 27700 4 >> 153 4223909.0 . height 27700 4 >> 153 48457460.5 . volume 27700 4 >> 154 -66607.0 . height 27700 4 >> 154 -1079681.0 . volume 27700 4 >> 155 61807.0 . height 27700 4 >> 155 883245.5 . volume 27700 4 >> 156 -1550556.5 . height 27700 4 >> 156 -18056651.5 . volume 27700 4 >> 157 1388258.5 . height 27700 4 >> 157 16337207.5 . volume 27700 4 >> 158 32484.0 . height 27700 4 >> 158 390253.5 . volume 27700 4 >> 159 -46228.5 . height 27700 4 >> 159 -621776.0 . volume 27700 4 >> 160 58944.0 . height 27700 4 >> 160 856154.0 . volume 27700 4 >> 161 41375.0 . height 27700 4 >> 161 563712.5 . volume 27700 4 >> 162 -18887.5 . height 27700 4 >> 162 -339381.5 . volume 27700 4 >> 163 26381.0 . height 27700 4 >> 163 362279.0 . volume 27700 4 >> 164 -2509794.5 . height 27700 4 >> 164 -28531614.5 . volume 27700 4 >> 165 4133416.0 . height 27700 4 >> 165 46960759.5 . volume 27700 4 >> 166 -85891.5 . height 27700 4 >> 166 -438906.5 . volume 27700 4 >> 167 83371.5 . height 27700 4 >> 167 1099263.5 . volume 27700 4 >> 168 -38101.5 . height 27700 4 >> 168 -705422.0 . volume 27700 4 >> 169 -2163.0 . height 27700 4 >> 169 -98465.5 . volume 27700 4 >> 170 147567.5 . height 27700 4 >> 170 1935410.0 . volume 27700 4 >> 171 -101438.5 . height 27700 4 >> 171 -1414587.0 . volume 27700 4 >> 172 96245.0 . height 27700 4 >> 172 1276952.0 . volume 27700 4 >> 173 -58186.5 . height 27700 4 >> 173 -844568.0 . volume 27700 4 >> 174 -287435.5 . height 27700 4 >> 174 -3615175.0 . volume 27700 4 >> 175 367607.0 . height 27700 4 >> 175 4652823.5 . volume 27700 4 >> 176 3149240.0 . height 27700 4 >> 176 34806924.0 . volume 27700 4 >> 177 -2546261.5 . height 27700 4 >> 177 -29201401.0 . volume 27700 4 >> 178 153695.0 . height 27700 4 >> 178 2042542.5 . volume 27700 4 >> 179 -92440.0 . height 27700 4 >> 179 -1257442.0 . volume 27700 4 >> 180 -69584.0 . height 27700 4 >> 180 -1105288.0 . volume 27700 4 >> 181 103363.0 . height 27700 4 >> 181 1424833.5 . volume 27700 4 >> 182 76977.5 . height 27700 4 >> 182 1081172.0 . volume 27700 4 >> 183 -65122.5 . height 27700 4 >> 183 -974743.0 . volume 27700 4 >> 184 116922.5 . height 27700 4 >> 184 1580419.5 . volume 27700 4 >> 185 -94115.5 . height 27700 4 >> 185 -1283772.5 . volume 27700 4 >> 186 -3378490.5 . height 27700 4 >> 186 -42214155.5 . volume 27700 4 >> 187 3616302.0 . height 27700 4 >> 187 46608805.0 . volume 27700 4 >> 188 3263402.5 . height 27700 4 >> 188 36998795.0 . volume 27700 4 >> 189 -3129180.5 . height 27700 4 >> 189 -36741311.0 . volume 27700 4 >> 190 110886.0 . height 27700 4 >> 190 1507281.0 . volume 27700 4 >> 191 -57190.0 . height 27700 4 >> 191 -744407.0 . volume 27700 4 >> 192 105260.0 . height 27700 4 >> 192 1381206.0 . volume 27700 4 >> 193 -89865.5 . height 27700 4 >> 193 -1203925.0 . volume 27700 4 >> 194 87024.0 . height 27700 4 >> 194 1251302.5 . volume 27700 4 >> 195 -62584.0 . height 27700 4 >> 195 -902695.5 . volume 27700 4 >> 196 -73324.5 . height 27700 4 >> 196 -1131803.5 . volume 27700 4 >> 197 62910.5 . height 27700 4 >> 197 878085.0 . volume 27700 4 >> 198 -64454.5 . height 27700 4 >> 198 -878745.5 . volume 27700 4 >> 199 100128.5 . height 27700 4 >> 199 1349134.5 . volume 27700 4 >> 200 -365607.5 . height 27700 4 >> 200 -4900753.0 . volume 27700 4 >> 201 339922.5 . height 27700 4 >> 201 4521499.0 . volume 27700 4 >> 202 114390.0 . height 27700 4 >> 202 1513014.0 . volume 27700 4 >> 203 -106416.5 . height 27700 4 >> 203 -1357255.5 . volume 27700 4 >> 204 -3209419.5 . height 27700 4 >> 204 -38464775.0 . volume 27700 4 >> 205 4027005.0 . height 27700 4 >> 205 45539729.5 . volume 27700 4 >> 206 -317117.0 . height 27700 4 >> 206 -3829263.0 . volume 27700 4 >> 207 311110.5 . height 27700 4 >> 207 3775283.0 . volume 27700 4 >> 208 55502.5 . height 27700 4 >> 208 868797.0 . volume 27700 4 >> 209 -36902.0 . height 27700 4 >> 209 -554547.0 . volume 27700 4 >> 210 -222908.0 . height 27700 4 >> 210 -2722788.0 . volume 27700 4 >> 211 282110.0 . height 27700 4 >> 211 3475953.0 . volume 27700 4 >> 212 4445019.0 . height 27700 4 >> 212 53712027.5 . volume 27700 4 >> 213 -44878.5 . height 27700 4 >> 213 -665884.5 . volume 27700 4 >> 214 53914.0 . height 27700 4 >> 214 820048.5 . volume 27700 4 >> 215 -2487754.0 . height 27700 4 >> 215 -29975511.5 . volume 27700 4 >> 216 3006056.0 . height 27700 4 >> 216 37066352.0 . volume 27700 4 >> 217 3420971.0 . height 27700 4 >> 217 40587732.5 . volume 27700 4 >> 218 -2624710.0 . height 27700 4 >> 218 -31946049.5 . volume 27700 4 >> 219 2224.5 . height 27700 4 >> 219 86569.0 . volume 27700 4 >> 220 22606.0 . height 27700 4 >> 220 317511.0 . volume 27700 4 >> 221 -17626.5 . height 27700 4 >> 221 -314981.0 . volume 27700 4 >> 222 -92114.0 . height 27700 4 >> 222 -1115534.0 . volume 27700 4 >> 223 120576.0 . height 27700 4 >> 223 1754097.5 . volume 27700 4 >> 224 29489.0 . height 27700 4 >> 224 386198.5 . volume 27700 4 >> 225 -16393.0 . height 27700 4 >> 225 -271101.5 . volume 27700 4 >> 226 -418986.0 . height 27700 4 >> 226 -16432868.0 . volume 27700 4 >> 227 163521.0 . height 27700 4 >> 227 2604617.0 . volume 27700 4 >> 228 -157711.5 . height 27700 4 >> 228 -2457944.5 . volume 27700 4 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.411 . 27.099190509500 . . . . . . . . . . . 27700 4 >> 1 2 120.007 . 29.110464314200 . . . . . . . . . . . 27700 4 >> 1 3 56.745 . 153.307033622000 . . . . . . . . . . . 27700 4 >> 2 1 8.413 . 36.201316472100 . . . . . . . . . . . 27700 4 >> 2 2 119.995 . 27.681037499500 . . . . . . . . . . . 27700 4 >> 2 3 65.151 . 171.219574967000 . . . . . . . . . . . 27700 4 >> 3 1 7.719 . 31.442130537300 . . . . . . . . . . . 27700 4 >> 3 2 119.938 . 25.666238668000 . . . . . . . . . . . 27700 4 >> 3 3 67.054 . 217.053353986000 . . . . . . . . . . . 27700 4 >> 4 1 7.724 . 24.833227401500 . . . . . . . . . . . 27700 4 >> 4 2 119.956 . 26.568572415200 . . . . . . . . . . . 27700 4 >> 4 3 68.171 . 138.097881872000 . . . . . . . . . . . 27700 4 >> 5 1 7.565 . 26.744182251400 . . . . . . . . . . . 27700 4 >> 5 2 118.896 . 27.151534076600 . . . . . . . . . . . 27700 4 >> 5 3 68.579 . 160.230093178000 . . . . . . . . . . . 27700 4 >> 6 1 7.562 . 27.358940202900 . . . . . . . . . . . 27700 4 >> 6 2 118.916 . 26.820454550600 . . . . . . . . . . . 27700 4 >> 6 3 31.419 . 162.178457381000 . . . . . . . . . . . 27700 4 >> 7 1 7.470 . 25.449005980500 . . . . . . . . . . . 27700 4 >> 7 2 117.828 . 25.510168158200 . . . . . . . . . . . 27700 4 >> 7 3 66.343 . 158.950287761000 . . . . . . . . . . . 27700 4 >> 8 1 7.469 . 24.018086254900 . . . . . . . . . . . 27700 4 >> 8 2 117.831 . 25.866212079000 . . . . . . . . . . . 27700 4 >> 8 3 37.793 . 152.612808955000 . . . . . . . . . . . 27700 4 >> 9 1 8.426 . 25.058275760600 . . . . . . . . . . . 27700 4 >> 9 2 124.070 . 24.872370912200 . . . . . . . . . . . 27700 4 >> 9 3 58.537 . 155.490876042000 . . . . . . . . . . . 27700 4 >> 10 1 8.426 . 24.808051923600 . . . . . . . . . . . 27700 4 >> 10 2 124.070 . 24.886746960200 . . . . . . . . . . . 27700 4 >> 10 3 63.759 . 151.345462703000 . . . . . . . . . . . 27700 4 >> 11 1 8.415 . 22.264137932200 . . . . . . . . . . . 27700 4 >> 11 2 126.795 . 23.123744180100 . . . . . . . . . . . 27700 4 >> 11 3 58.383 . 150.836630410000 . . . . . . . . . . . 27700 4 >> 12 1 8.415 . 22.155951419400 . . . . . . . . . . . 27700 4 >> 12 2 126.795 . 23.179526689900 . . . . . . . . . . . 27700 4 >> 12 3 63.778 . 149.240113022000 . . . . . . . . . . . 27700 4 >> 13 1 7.363 . 25.332994657000 . . . . . . . . . . . 27700 4 >> 13 2 120.662 . 26.286130417000 . . . . . . . . . . . 27700 4 >> 13 3 56.934 . 157.551123546000 . . . . . . . . . . . 27700 4 >> 14 1 7.363 . 23.382575544600 . . . . . . . . . . . 27700 4 >> 14 2 120.676 . 26.697354258900 . . . . . . . . . . . 27700 4 >> 14 3 33.326 . 175.202769978000 . . . . . . . . . . . 27700 4 >> 15 1 9.099 . 29.140445467500 . . . . . . . . . . . 27700 4 >> 15 2 119.851 . 26.922205980600 . . . . . . . . . . . 27700 4 >> 15 3 51.920 . 165.279294336000 . . . . . . . . . . . 27700 4 >> 16 1 9.101 . 29.110166852300 . . . . . . . . . . . 27700 4 >> 16 2 119.837 . 24.422925721000 . . . . . . . . . . . 27700 4 >> 16 3 45.573 . 154.567402741000 . . . . . . . . . . . 27700 4 >> 17 1 9.149 . 23.976070423600 . . . . . . . . . . . 27700 4 >> 17 2 126.019 . 26.502675021200 . . . . . . . . . . . 27700 4 >> 17 3 41.106 . 170.808173342000 . . . . . . . . . . . 27700 4 >> 18 1 9.151 . 22.184018675100 . . . . . . . . . . . 27700 4 >> 18 2 126.000 . 29.482778133800 . . . . . . . . . . . 27700 4 >> 18 3 53.275 . 175.375703186000 . . . . . . . . . . . 27700 4 >> 19 1 7.234 . 25.373139337900 . . . . . . . . . . . 27700 4 >> 19 2 117.732 . 27.772458835100 . . . . . . . . . . . 27700 4 >> 19 3 68.676 . 171.091245568000 . . . . . . . . . . . 27700 4 >> 20 1 7.235 . 23.003242331600 . . . . . . . . . . . 27700 4 >> 20 2 117.752 . 26.109141466000 . . . . . . . . . . . 27700 4 >> 20 3 67.142 . 159.958981750000 . . . . . . . . . . . 27700 4 >> 21 1 8.509 . 21.795159605500 . . . . . . . . . . . 27700 4 >> 21 2 126.691 . 22.452761505700 . . . . . . . . . . . 27700 4 >> 21 3 61.628 . 152.413213133000 . . . . . . . . . . . 27700 4 >> 22 1 8.509 . 21.891098588600 . . . . . . . . . . . 27700 4 >> 22 2 126.691 . 22.122973241500 . . . . . . . . . . . 27700 4 >> 22 3 70.076 . 159.931197812000 . . . . . . . . . . . 27700 4 >> 23 1 8.508 . 28.048544169600 . . . . . . . . . . . 27700 4 >> 23 2 126.703 . 41.898862947800 . . . . . . . . . . . 27700 4 >> 23 3 53.426 . 121.207241231000 . . . . . . . . . . . 27700 4 >> 24 1 8.508 . 33.733269123200 . . . . . . . . . . . 27700 4 >> 24 2 126.703 . 19.301609246500 . . . . . . . . . . . 27700 4 >> 24 3 18.868 . 245.375776769000 . . . . . . . . . . . 27700 4 >> 25 1 7.748 . 27.949543304100 . . . . . . . . . . . 27700 4 >> 25 2 114.493 . 25.761189452500 . . . . . . . . . . . 27700 4 >> 25 3 44.831 . 162.998270430000 . . . . . . . . . . . 27700 4 >> 26 1 8.201 . 23.539241862600 . . . . . . . . . . . 27700 4 >> 26 2 119.567 . 24.759858967200 . . . . . . . . . . . 27700 4 >> 26 3 30.406 . 172.070037561000 . . . . . . . . . . . 27700 4 >> 27 1 8.201 . 22.783637319000 . . . . . . . . . . . 27700 4 >> 27 2 119.572 . 25.104109363600 . . . . . . . . . . . 27700 4 >> 27 3 59.547 . 161.571197685000 . . . . . . . . . . . 27700 4 >> 28 1 8.200 . 26.992875147100 . . . . . . . . . . . 27700 4 >> 28 2 119.567 . 25.603139007900 . . . . . . . . . . . 27700 4 >> 28 3 59.044 . 269.608852457000 . . . . . . . . . . . 27700 4 >> 29 1 8.202 . 20.331409696000 . . . . . . . . . . . 27700 4 >> 29 2 119.567 . 25.216190888000 . . . . . . . . . . . 27700 4 >> 29 3 29.936 . 309.625198211000 . . . . . . . . . . . 27700 4 >> 30 1 7.807 . 28.481290220700 . . . . . . . . . . . 27700 4 >> 30 2 113.504 . 24.835785161100 . . . . . . . . . . . 27700 4 >> 30 3 51.442 . 165.497578905000 . . . . . . . . . . . 27700 4 >> 31 1 7.808 . 24.139881134000 . . . . . . . . . . . 27700 4 >> 31 2 113.504 . 25.933185524500 . . . . . . . . . . . 27700 4 >> 31 3 37.607 . 179.322268253000 . . . . . . . . . . . 27700 4 >> 32 1 8.577 . 26.779564004000 . . . . . . . . . . . 27700 4 >> 32 2 117.651 . 26.149601002500 . . . . . . . . . . . 27700 4 >> 32 3 32.030 . 170.239038691000 . . . . . . . . . . . 27700 4 >> 33 1 8.577 . 23.732820874500 . . . . . . . . . . . 27700 4 >> 33 2 117.661 . 25.331113188300 . . . . . . . . . . . 27700 4 >> 33 3 67.913 . 150.911385399000 . . . . . . . . . . . 27700 4 >> 34 1 8.420 . 23.143068296200 . . . . . . . . . . . 27700 4 >> 34 2 116.565 . 24.021945889500 . . . . . . . . . . . 27700 4 >> 34 3 32.102 . 158.893224786000 . . . . . . . . . . . 27700 4 >> 35 1 8.420 . 22.867839086000 . . . . . . . . . . . 27700 4 >> 35 2 116.564 . 23.970467585600 . . . . . . . . . . . 27700 4 >> 35 3 63.449 . 154.037639050000 . . . . . . . . . . . 27700 4 >> 36 1 8.415 . 15.518300609500 . . . . . . . . . . . 27700 4 >> 36 2 116.582 . 71.904516027300 . . . . . . . . . . . 27700 4 >> 36 3 58.578 . 184.159414425000 . . . . . . . . . . . 27700 4 >> 37 1 8.360 . 20.683526176300 . . . . . . . . . . . 27700 4 >> 37 2 126.461 . 21.693284355900 . . . . . . . . . . . 27700 4 >> 37 3 30.505 . 156.635624110000 . . . . . . . . . . . 27700 4 >> 38 1 8.360 . 20.594391376500 . . . . . . . . . . . 27700 4 >> 38 2 126.461 . 21.864548712900 . . . . . . . . . . . 27700 4 >> 38 3 56.237 . 155.174413254000 . . . . . . . . . . . 27700 4 >> 39 1 7.933 . 25.460232882700 . . . . . . . . . . . 27700 4 >> 39 2 114.422 . 27.896419968100 . . . . . . . . . . . 27700 4 >> 39 3 60.691 . 160.114222944000 . . . . . . . . . . . 27700 4 >> 40 1 7.933 . 21.913212183900 . . . . . . . . . . . 27700 4 >> 40 2 114.409 . 23.669689669900 . . . . . . . . . . . 27700 4 >> 40 3 38.043 . 165.861386519000 . . . . . . . . . . . 27700 4 >> 41 1 8.646 . 26.541587696800 . . . . . . . . . . . 27700 4 >> 41 2 119.123 . 26.182829472900 . . . . . . . . . . . 27700 4 >> 41 3 47.595 . 161.089028004000 . . . . . . . . . . . 27700 4 >> 42 1 8.301 . 21.021694081000 . . . . . . . . . . . 27700 4 >> 42 2 123.967 . 24.447631863500 . . . . . . . . . . . 27700 4 >> 42 3 19.200 . 150.126956378000 . . . . . . . . . . . 27700 4 >> 43 1 8.301 . 20.989374210800 . . . . . . . . . . . 27700 4 >> 43 2 123.967 . 24.377989810300 . . . . . . . . . . . 27700 4 >> 43 3 52.056 . 149.477584705000 . . . . . . . . . . . 27700 4 >> 44 1 8.300 . 22.704878898500 . . . . . . . . . . . 27700 4 >> 44 2 123.983 . 13.300340896000 . . . . . . . . . . . 27700 4 >> 44 3 41.551 . 193.365242170000 . . . . . . . . . . . 27700 4 >> 45 1 8.803 . 32.864204824800 . . . . . . . . . . . 27700 4 >> 45 2 126.117 . 27.046984912800 . . . . . . . . . . . 27700 4 >> 45 3 45.690 . 154.321708009000 . . . . . . . . . . . 27700 4 >> 46 1 7.683 . 20.066556865200 . . . . . . . . . . . 27700 4 >> 46 2 114.337 . 26.342257263300 . . . . . . . . . . . 27700 4 >> 46 3 53.256 . 154.782198743000 . . . . . . . . . . . 27700 4 >> 47 1 7.683 . 19.848823003000 . . . . . . . . . . . 27700 4 >> 47 2 114.204 . 24.979373473500 . . . . . . . . . . . 27700 4 >> 47 3 38.809 . 159.604892284000 . . . . . . . . . . . 27700 4 >> 48 1 7.682 . 26.335591050600 . . . . . . . . . . . 27700 4 >> 48 2 114.239 . 20.306210928300 . . . . . . . . . . . 27700 4 >> 48 3 37.731 . 35.822590856600 . . . . . . . . . . . 27700 4 >> 49 1 7.679 . 9.618393362390 . . . . . . . . . . . 27700 4 >> 49 2 114.239 . 39.323914746600 . . . . . . . . . . . 27700 4 >> 49 3 51.520 . 780.505878870000 . . . . . . . . . . . 27700 4 >> 50 1 8.250 . 29.416525200600 . . . . . . . . . . . 27700 4 >> 50 2 119.122 . 24.330815712500 . . . . . . . . . . . 27700 4 >> 50 3 32.142 . 160.412246168000 . . . . . . . . . . . 27700 4 >> 51 1 8.248 . 26.169228771500 . . . . . . . . . . . 27700 4 >> 51 2 119.115 . 25.432864618300 . . . . . . . . . . . 27700 4 >> 51 3 60.839 . 178.508933970000 . . . . . . . . . . . 27700 4 >> 52 1 8.248 . 21.906408000800 . . . . . . . . . . . 27700 4 >> 52 2 119.133 . 22.341756032800 . . . . . . . . . . . 27700 4 >> 52 3 60.262 . 331.297167966000 . . . . . . . . . . . 27700 4 >> 53 1 8.331 . 24.051596857100 . . . . . . . . . . . 27700 4 >> 53 2 117.426 . 28.719211988300 . . . . . . . . . . . 27700 4 >> 53 3 58.835 . 148.441978920000 . . . . . . . . . . . 27700 4 >> 54 1 8.330 . 26.426256791600 . . . . . . . . . . . 27700 4 >> 54 2 117.420 . 29.485877162100 . . . . . . . . . . . 27700 4 >> 54 3 29.392 . 169.210410038000 . . . . . . . . . . . 27700 4 >> 55 1 8.806 . 25.424681025600 . . . . . . . . . . . 27700 4 >> 55 2 119.045 . 26.828546457900 . . . . . . . . . . . 27700 4 >> 55 3 39.840 . 158.089857835000 . . . . . . . . . . . 27700 4 >> 56 1 8.805 . 25.443392529300 . . . . . . . . . . . 27700 4 >> 56 2 119.050 . 24.735927581800 . . . . . . . . . . . 27700 4 >> 56 3 56.310 . 154.956627052000 . . . . . . . . . . . 27700 4 >> 57 1 7.687 . 18.262087482300 . . . . . . . . . . . 27700 4 >> 57 2 113.392 . 109.029325841000 . . . . . . . . . . . 27700 4 >> 57 3 38.705 . 146.125072620000 . . . . . . . . . . . 27700 4 >> 58 1 7.687 . 18.640400067900 . . . . . . . . . . . 27700 4 >> 58 2 113.394 . 43.414976471500 . . . . . . . . . . . 27700 4 >> 58 3 53.127 . 146.574100922000 . . . . . . . . . . . 27700 4 >> 59 1 8.309 . 22.194905368200 . . . . . . . . . . . 27700 4 >> 59 2 109.371 . 19.989077029800 . . . . . . . . . . . 27700 4 >> 59 3 45.208 . 144.824834173000 . . . . . . . . . . . 27700 4 >> 60 1 7.423 . 25.221406052600 . . . . . . . . . . . 27700 4 >> 60 2 117.234 . 23.668484492200 . . . . . . . . . . . 27700 4 >> 60 3 29.151 . 165.560373096000 . . . . . . . . . . . 27700 4 >> 61 1 7.424 . 25.518748858200 . . . . . . . . . . . 27700 4 >> 61 2 117.232 . 25.379664632100 . . . . . . . . . . . 27700 4 >> 61 3 61.012 . 152.009037825000 . . . . . . . . . . . 27700 4 >> 62 1 8.485 . 21.538812003700 . . . . . . . . . . . 27700 4 >> 62 2 126.809 . 22.171567727300 . . . . . . . . . . . 27700 4 >> 62 3 33.091 . 161.152818929000 . . . . . . . . . . . 27700 4 >> 63 1 8.485 . 21.427903817700 . . . . . . . . . . . 27700 4 >> 63 2 126.810 . 22.078467751400 . . . . . . . . . . . 27700 4 >> 63 3 56.247 . 155.112615796000 . . . . . . . . . . . 27700 4 >> 64 1 8.482 . 14.813047021500 . . . . . . . . . . . 27700 4 >> 64 2 126.811 . 13.431231800600 . . . . . . . . . . . 27700 4 >> 64 3 52.615 . 216.549754541000 . . . . . . . . . . . 27700 4 >> 65 1 8.486 . 19.148162238700 . . . . . . . . . . . 27700 4 >> 65 2 126.811 . 11.101063795000 . . . . . . . . . . . 27700 4 >> 65 3 19.131 . 150.484783594000 . . . . . . . . . . . 27700 4 >> 66 1 8.465 . 22.051507207400 . . . . . . . . . . . 27700 4 >> 66 2 125.474 . 24.340371049800 . . . . . . . . . . . 27700 4 >> 66 3 61.837 . 150.233606830000 . . . . . . . . . . . 27700 4 >> 67 1 8.465 . 21.840067214600 . . . . . . . . . . . 27700 4 >> 67 2 125.473 . 24.204444224100 . . . . . . . . . . . 27700 4 >> 67 3 69.861 . 155.257266700000 . . . . . . . . . . . 27700 4 >> 68 1 8.405 . 28.616523361600 . . . . . . . . . . . 27700 4 >> 68 2 117.732 . 26.006701363100 . . . . . . . . . . . 27700 4 >> 68 3 53.149 . 155.153980223000 . . . . . . . . . . . 27700 4 >> 69 1 8.405 . 27.810227653200 . . . . . . . . . . . 27700 4 >> 69 2 117.730 . 25.254670489700 . . . . . . . . . . . 27700 4 >> 69 3 38.819 . 162.670843577000 . . . . . . . . . . . 27700 4 >> 70 1 8.092 . 24.715515032200 . . . . . . . . . . . 27700 4 >> 70 2 123.815 . 23.276199156800 . . . . . . . . . . . 27700 4 >> 70 3 52.323 . 157.485837522000 . . . . . . . . . . . 27700 4 >> 71 1 8.092 . 23.467117520800 . . . . . . . . . . . 27700 4 >> 71 2 123.822 . 24.067226136600 . . . . . . . . . . . 27700 4 >> 71 3 38.463 . 165.431794514000 . . . . . . . . . . . 27700 4 >> 72 1 8.604 . 20.676551888500 . . . . . . . . . . . 27700 4 >> 72 2 125.270 . 23.175652904500 . . . . . . . . . . . 27700 4 >> 72 3 32.689 . 159.167326414000 . . . . . . . . . . . 27700 4 >> 73 1 8.604 . 20.705639771700 . . . . . . . . . . . 27700 4 >> 73 2 125.270 . 23.172898212700 . . . . . . . . . . . 27700 4 >> 73 3 62.525 . 152.423429649000 . . . . . . . . . . . 27700 4 >> 74 1 7.178 . 27.465765879000 . . . . . . . . . . . 27700 4 >> 74 2 125.077 . 26.009025634300 . . . . . . . . . . . 27700 4 >> 74 3 29.021 . 188.446363876000 . . . . . . . . . . . 27700 4 >> 75 1 7.179 . 23.475112436000 . . . . . . . . . . . 27700 4 >> 75 2 125.075 . 27.800177921800 . . . . . . . . . . . 27700 4 >> 75 3 53.515 . 163.872405438000 . . . . . . . . . . . 27700 4 >> 76 1 8.150 . 24.956383117300 . . . . . . . . . . . 27700 4 >> 76 2 118.909 . 27.320258952100 . . . . . . . . . . . 27700 4 >> 76 3 59.095 . 155.038359173000 . . . . . . . . . . . 27700 4 >> 77 1 8.150 . 28.933938507600 . . . . . . . . . . . 27700 4 >> 77 2 118.913 . 27.713835549300 . . . . . . . . . . . 27700 4 >> 77 3 30.196 . 183.260361088000 . . . . . . . . . . . 27700 4 >> 78 1 7.087 . 28.161833819700 . . . . . . . . . . . 27700 4 >> 78 2 127.524 . 27.182739570200 . . . . . . . . . . . 27700 4 >> 78 3 40.070 . 163.438328134000 . . . . . . . . . . . 27700 4 >> 79 1 7.091 . 35.563084088500 . . . . . . . . . . . 27700 4 >> 79 2 127.532 . 26.662102811700 . . . . . . . . . . . 27700 4 >> 79 3 60.410 . 152.374091356000 . . . . . . . . . . . 27700 4 >> 80 1 8.362 . 25.409031404200 . . . . . . . . . . . 27700 4 >> 80 2 123.673 . 25.353925480200 . . . . . . . . . . . 27700 4 >> 80 3 57.610 . 149.521939332000 . . . . . . . . . . . 27700 4 >> 81 1 8.362 . 26.468442727400 . . . . . . . . . . . 27700 4 >> 81 2 123.706 . 29.896326246900 . . . . . . . . . . . 27700 4 >> 81 3 41.929 . 182.972305196000 . . . . . . . . . . . 27700 4 >> 82 1 8.282 . 21.269876663000 . . . . . . . . . . . 27700 4 >> 82 2 123.678 . 21.121857966500 . . . . . . . . . . . 27700 4 >> 82 3 32.940 . 155.874119953000 . . . . . . . . . . . 27700 4 >> 83 1 8.281 . 21.288928375900 . . . . . . . . . . . 27700 4 >> 83 2 123.679 . 21.493052692500 . . . . . . . . . . . 27700 4 >> 83 3 56.307 . 158.372930061000 . . . . . . . . . . . 27700 4 >> 84 1 8.285 . 25.604651671000 . . . . . . . . . . . 27700 4 >> 84 2 118.536 . 27.740177290100 . . . . . . . . . . . 27700 4 >> 84 3 37.385 . 198.594104486000 . . . . . . . . . . . 27700 4 >> 85 1 8.286 . 24.821320080900 . . . . . . . . . . . 27700 4 >> 85 2 118.560 . 27.758254955300 . . . . . . . . . . . 27700 4 >> 85 3 60.447 . 165.461447327000 . . . . . . . . . . . 27700 4 >> 86 1 8.429 . 22.259034794800 . . . . . . . . . . . 27700 4 >> 86 2 123.785 . 25.983889071300 . . . . . . . . . . . 27700 4 >> 86 3 32.945 . 155.624936656000 . . . . . . . . . . . 27700 4 >> 87 1 8.429 . 22.075832162300 . . . . . . . . . . . 27700 4 >> 87 2 123.784 . 26.917299185800 . . . . . . . . . . . 27700 4 >> 87 3 56.470 . 148.561586903000 . . . . . . . . . . . 27700 4 >> 88 1 8.041 . 26.994235983700 . . . . . . . . . . . 27700 4 >> 88 2 111.906 . 25.679926043100 . . . . . . . . . . . 27700 4 >> 88 3 44.919 . 156.473156600000 . . . . . . . . . . . 27700 4 >> 89 1 8.620 . 28.133256250300 . . . . . . . . . . . 27700 4 >> 89 2 113.486 . 26.776982070000 . . . . . . . . . . . 27700 4 >> 89 3 44.799 . 163.191138303000 . . . . . . . . . . . 27700 4 >> 90 1 8.569 . 30.724289210400 . . . . . . . . . . . 27700 4 >> 90 2 127.673 . 28.488549588400 . . . . . . . . . . . 27700 4 >> 90 3 54.963 . 158.920136582000 . . . . . . . . . . . 27700 4 >> 91 1 8.571 . 28.891922676400 . . . . . . . . . . . 27700 4 >> 91 2 127.675 . 26.672475948100 . . . . . . . . . . . 27700 4 >> 91 3 29.341 . 179.060127424000 . . . . . . . . . . . 27700 4 >> 92 1 8.228 . 25.752642655500 . . . . . . . . . . . 27700 4 >> 92 2 118.374 . 27.767035535600 . . . . . . . . . . . 27700 4 >> 92 3 37.877 . 150.254538227000 . . . . . . . . . . . 27700 4 >> 93 1 8.228 . 27.550307855200 . . . . . . . . . . . 27700 4 >> 93 2 118.388 . 29.244066868700 . . . . . . . . . . . 27700 4 >> 93 3 63.833 . 160.283418403000 . . . . . . . . . . . 27700 4 >> 94 1 7.305 . 24.262696640700 . . . . . . . . . . . 27700 4 >> 94 2 111.404 . 25.141555955800 . . . . . . . . . . . 27700 4 >> 94 3 54.800 . 147.054526319000 . . . . . . . . . . . 27700 4 >> 95 1 7.304 . 21.200133785300 . . . . . . . . . . . 27700 4 >> 95 2 111.405 . 26.461742022100 . . . . . . . . . . . 27700 4 >> 95 3 18.699 . 152.940734174000 . . . . . . . . . . . 27700 4 >> 96 1 8.212 . 25.482006269000 . . . . . . . . . . . 27700 4 >> 96 2 108.079 . 22.919036142400 . . . . . . . . . . . 27700 4 >> 96 3 39.463 . 160.598635275000 . . . . . . . . . . . 27700 4 >> 97 1 8.212 . 25.281623073900 . . . . . . . . . . . 27700 4 >> 97 2 108.078 . 23.239096901000 . . . . . . . . . . . 27700 4 >> 97 3 52.836 . 148.537665307000 . . . . . . . . . . . 27700 4 >> 98 1 8.522 . 23.736222966100 . . . . . . . . . . . 27700 4 >> 98 2 124.062 . 24.076695389900 . . . . . . . . . . . 27700 4 >> 98 3 56.128 . 152.840562489000 . . . . . . . . . . . 27700 4 >> 99 1 8.522 . 23.897652212300 . . . . . . . . . . . 27700 4 >> 99 2 124.060 . 23.766189968600 . . . . . . . . . . . 27700 4 >> 99 3 30.836 . 163.431351001000 . . . . . . . . . . . 27700 4 >> 100 1 8.524 . 21.191968765400 . . . . . . . . . . . 27700 4 >> 100 2 124.075 . 18.023690483200 . . . . . . . . . . . 27700 4 >> 100 3 56.928 . 471.212592811000 . . . . . . . . . . . 27700 4 >> 101 1 8.986 . 25.114240167300 . . . . . . . . . . . 27700 4 >> 101 2 125.006 . 25.961679368300 . . . . . . . . . . . 27700 4 >> 101 3 53.366 . 164.682749522000 . . . . . . . . . . . 27700 4 >> 102 1 8.985 . 25.502078609400 . . . . . . . . . . . 27700 4 >> 102 2 125.002 . 25.204569531800 . . . . . . . . . . . 27700 4 >> 102 3 44.576 . 180.264679485000 . . . . . . . . . . . 27700 4 >> 103 1 8.442 . 23.480895991700 . . . . . . . . . . . 27700 4 >> 103 2 123.473 . 55.310768863500 . . . . . . . . . . . 27700 4 >> 103 3 32.944 . 158.980937307000 . . . . . . . . . . . 27700 4 >> 104 1 8.442 . 23.518659208500 . . . . . . . . . . . 27700 4 >> 104 2 123.474 . 64.791299097100 . . . . . . . . . . . 27700 4 >> 104 3 56.352 . 151.992840910000 . . . . . . . . . . . 27700 4 >> 105 1 8.306 . 23.613917773200 . . . . . . . . . . . 27700 4 >> 105 2 123.282 . 24.057240378700 . . . . . . . . . . . 27700 4 >> 105 3 32.958 . 155.671783116000 . . . . . . . . . . . 27700 4 >> 106 1 8.327 . 37.651117806000 . . . . . . . . . . . 27700 4 >> 106 2 123.493 . 35.595181083300 . . . . . . . . . . . 27700 4 >> 106 3 32.857 . 161.362132899000 . . . . . . . . . . . 27700 4 >> 107 1 8.326 . 37.818330608000 . . . . . . . . . . . 27700 4 >> 107 2 123.443 . 36.087151829900 . . . . . . . . . . . 27700 4 >> 107 3 56.407 . 154.756782047000 . . . . . . . . . . . 27700 4 >> 108 1 8.188 . 21.884974823700 . . . . . . . . . . . 27700 4 >> 108 2 121.943 . 23.585068979800 . . . . . . . . . . . 27700 4 >> 108 3 52.362 . 148.958785079000 . . . . . . . . . . . 27700 4 >> 109 1 8.188 . 21.769303709400 . . . . . . . . . . . 27700 4 >> 109 2 121.945 . 23.650492911100 . . . . . . . . . . . 27700 4 >> 109 3 19.026 . 151.378853265000 . . . . . . . . . . . 27700 4 >> 110 1 8.074 . 23.375941466000 . . . . . . . . . . . 27700 4 >> 110 2 109.996 . 26.611356222900 . . . . . . . . . . . 27700 4 >> 110 3 52.726 . 180.048388382000 . . . . . . . . . . . 27700 4 >> 111 1 8.072 . 25.850282684300 . . . . . . . . . . . 27700 4 >> 111 2 109.996 . 28.693731088700 . . . . . . . . . . . 27700 4 >> 111 3 41.387 . 184.957797711000 . . . . . . . . . . . 27700 4 >> 112 1 9.387 . 25.515516871200 . . . . . . . . . . . 27700 4 >> 112 2 121.675 . 27.056755460400 . . . . . . . . . . . 27700 4 >> 112 3 56.759 . 140.325082186000 . . . . . . . . . . . 27700 4 >> 113 1 9.392 . 27.053092168300 . . . . . . . . . . . 27700 4 >> 113 2 121.632 . 23.839877975400 . . . . . . . . . . . 27700 4 >> 113 3 65.512 . 142.254010092000 . . . . . . . . . . . 27700 4 >> 114 1 8.460 . 20.176274319200 . . . . . . . . . . . 27700 4 >> 114 2 120.507 . 20.851812081700 . . . . . . . . . . . 27700 4 >> 114 3 53.220 . 155.592044460000 . . . . . . . . . . . 27700 4 >> 115 1 8.460 . 20.206893143600 . . . . . . . . . . . 27700 4 >> 115 2 120.508 . 20.824351247400 . . . . . . . . . . . 27700 4 >> 115 3 18.929 . 150.048214456000 . . . . . . . . . . . 27700 4 >> 116 1 8.307 . 24.694762273500 . . . . . . . . . . . 27700 4 >> 116 2 123.279 . 24.835182572300 . . . . . . . . . . . 27700 4 >> 116 3 56.347 . 149.809496857000 . . . . . . . . . . . 27700 4 >> 117 1 8.305 . 22.746554520600 . . . . . . . . . . . 27700 4 >> 117 2 123.207 . 26.562632610900 . . . . . . . . . . . 27700 4 >> 117 3 32.975 . 200.070266341000 . . . . . . . . . . . 27700 4 >> 118 1 8.301 . 22.861715321100 . . . . . . . . . . . 27700 4 >> 118 2 123.162 . 14.710226615400 . . . . . . . . . . . 27700 4 >> 118 3 62.330 . 226.403708043000 . . . . . . . . . . . 27700 4 >> 119 1 8.345 . 22.193714636100 . . . . . . . . . . . 27700 4 >> 119 2 118.840 . 22.172858989100 . . . . . . . . . . . 27700 4 >> 119 3 32.727 . 170.395525802000 . . . . . . . . . . . 27700 4 >> 120 1 8.345 . 22.443598263900 . . . . . . . . . . . 27700 4 >> 120 2 118.841 . 22.206603964200 . . . . . . . . . . . 27700 4 >> 120 3 62.309 . 156.911220838000 . . . . . . . . . . . 27700 4 >> 121 1 8.346 . 18.226875834300 . . . . . . . . . . . 27700 4 >> 121 2 118.797 . 15.633909224400 . . . . . . . . . . . 27700 4 >> 121 3 61.635 . 422.870285535000 . . . . . . . . . . . 27700 4 >> 122 1 8.375 . 22.062564005000 . . . . . . . . . . . 27700 4 >> 122 2 121.602 . 23.929061123800 . . . . . . . . . . . 27700 4 >> 122 3 62.873 . 155.286296554000 . . . . . . . . . . . 27700 4 >> 123 1 8.375 . 21.899263608400 . . . . . . . . . . . 27700 4 >> 123 2 121.601 . 23.867597062100 . . . . . . . . . . . 27700 4 >> 123 3 32.044 . 154.121863005000 . . . . . . . . . . . 27700 4 >> 124 1 8.380 . 87.643663088500 . . . . . . . . . . . 27700 4 >> 124 2 121.624 . 55.305862068600 . . . . . . . . . . . 27700 4 >> 124 3 62.229 . 0.614735195071 . . . . . . . . . . . 27700 4 >> 125 1 8.372 . 16.626021633400 . . . . . . . . . . . 27700 4 >> 125 2 121.624 . 24.619369683100 . . . . . . . . . . . 27700 4 >> 125 3 32.873 . 443.372838075000 . . . . . . . . . . . 27700 4 >> 126 1 8.385 . 22.132136778200 . . . . . . . . . . . 27700 4 >> 126 2 120.507 . 21.192791281500 . . . . . . . . . . . 27700 4 >> 126 3 62.224 . 152.360884641000 . . . . . . . . . . . 27700 4 >> 127 1 8.385 . 22.308195018300 . . . . . . . . . . . 27700 4 >> 127 2 120.506 . 21.221285125300 . . . . . . . . . . . 27700 4 >> 127 3 32.854 . 169.131668116000 . . . . . . . . . . . 27700 4 >> 128 1 8.189 . 20.750717485300 . . . . . . . . . . . 27700 4 >> 128 2 123.620 . 24.199709597500 . . . . . . . . . . . 27700 4 >> 128 3 19.049 . 155.119592928000 . . . . . . . . . . . 27700 4 >> 129 1 8.189 . 20.886120730900 . . . . . . . . . . . 27700 4 >> 129 2 123.619 . 24.188346493700 . . . . . . . . . . . 27700 4 >> 129 3 52.553 . 149.609153486000 . . . . . . . . . . . 27700 4 >> 130 1 8.425 . 20.957394549800 . . . . . . . . . . . 27700 4 >> 130 2 123.107 . 23.501739551500 . . . . . . . . . . . 27700 4 >> 130 3 30.361 . 159.172310080000 . . . . . . . . . . . 27700 4 >> 131 1 8.425 . 20.786779656300 . . . . . . . . . . . 27700 4 >> 131 2 123.106 . 24.195147139200 . . . . . . . . . . . 27700 4 >> 131 3 56.468 . 149.369439154000 . . . . . . . . . . . 27700 4 >> 132 1 8.503 . 26.007969629800 . . . . . . . . . . . 27700 4 >> 132 2 120.484 . 23.921743973600 . . . . . . . . . . . 27700 4 >> 132 3 56.275 . 163.422878769000 . . . . . . . . . . . 27700 4 >> 133 1 8.504 . 26.506205944200 . . . . . . . . . . . 27700 4 >> 133 2 120.486 . 22.873325474600 . . . . . . . . . . . 27700 4 >> 133 3 33.109 . 155.622943189000 . . . . . . . . . . . 27700 4 >> 134 1 8.458 . 85.822353352200 . . . . . . . . . . . 27700 4 >> 134 2 123.077 . 30.574496945200 . . . . . . . . . . . 27700 4 >> 134 3 42.593 . 209.475440724000 . . . . . . . . . . . 27700 4 >> 135 1 8.469 . 89.948239936100 . . . . . . . . . . . 27700 4 >> 135 2 123.077 . 31.534593137000 . . . . . . . . . . . 27700 4 >> 135 3 56.073 . 176.873793171000 . . . . . . . . . . . 27700 4 >> 136 1 8.279 . 24.414770135100 . . . . . . . . . . . 27700 4 >> 136 2 118.857 . 24.713373542300 . . . . . . . . . . . 27700 4 >> 136 3 27.366 . 179.624278410000 . . . . . . . . . . . 27700 4 >> 137 1 8.279 . 25.013198046900 . . . . . . . . . . . 27700 4 >> 137 2 118.850 . 25.576366846600 . . . . . . . . . . . 27700 4 >> 137 3 58.023 . 164.789399973000 . . . . . . . . . . . 27700 4 >> 138 1 8.122 . 24.798185858000 . . . . . . . . . . . 27700 4 >> 138 2 116.326 . 24.209264934900 . . . . . . . . . . . 27700 4 >> 138 3 53.093 . 154.253930152000 . . . . . . . . . . . 27700 4 >> 139 1 8.121 . 25.304927401300 . . . . . . . . . . . 27700 4 >> 139 2 116.326 . 23.940510311800 . . . . . . . . . . . 27700 4 >> 139 3 19.047 . 154.585343938000 . . . . . . . . . . . 27700 4 >> 140 1 7.741 . 23.392441610200 . . . . . . . . . . . 27700 4 >> 140 2 120.418 . 26.431182159400 . . . . . . . . . . . 27700 4 >> 140 3 28.066 . 181.284835905000 . . . . . . . . . . . 27700 4 >> 141 1 7.740 . 26.002866492400 . . . . . . . . . . . 27700 4 >> 141 2 120.406 . 25.933702029200 . . . . . . . . . . . 27700 4 >> 141 3 58.745 . 164.431572758000 . . . . . . . . . . . 27700 4 >> 142 1 8.408 . 21.059457297700 . . . . . . . . . . . 27700 4 >> 142 2 122.804 . 25.200781830500 . . . . . . . . . . . 27700 4 >> 142 3 42.429 . 160.583185910000 . . . . . . . . . . . 27700 4 >> 143 1 8.408 . 20.728944099100 . . . . . . . . . . . 27700 4 >> 143 2 122.804 . 25.226348814100 . . . . . . . . . . . 27700 4 >> 143 3 55.088 . 150.351221346000 . . . . . . . . . . . 27700 4 >> 144 1 8.411 . 53.206331109300 . . . . . . . . . . . 27700 4 >> 144 2 122.804 . 109.342499870000 . . . . . . . . . . . 27700 4 >> 144 3 30.341 . 132.414010855000 . . . . . . . . . . . 27700 4 >> 145 1 8.404 . 32.239580807600 . . . . . . . . . . . 27700 4 >> 145 2 122.804 . 117.897109308000 . . . . . . . . . . . 27700 4 >> 145 3 56.480 . 90.880637184800 . . . . . . . . . . . 27700 4 >> 146 1 8.812 . 22.392566889900 . . . . . . . . . . . 27700 4 >> 146 2 121.400 . 24.830792282200 . . . . . . . . . . . 27700 4 >> 146 3 34.857 . 188.290873499000 . . . . . . . . . . . 27700 4 >> 147 1 8.810 . 24.123551094400 . . . . . . . . . . . 27700 4 >> 147 2 121.350 . 25.734159038800 . . . . . . . . . . . 27700 4 >> 147 3 57.828 . 147.954576390000 . . . . . . . . . . . 27700 4 >> 148 1 7.487 . 26.002866492400 . . . . . . . . . . . 27700 4 >> 148 2 105.016 . 26.455371797200 . . . . . . . . . . . 27700 4 >> 148 3 42.227 . 175.071699563000 . . . . . . . . . . . 27700 4 >> 149 1 7.487 . 26.543799056300 . . . . . . . . . . . 27700 4 >> 149 2 105.015 . 25.947991993200 . . . . . . . . . . . 27700 4 >> 149 3 57.203 . 145.975064274000 . . . . . . . . . . . 27700 4 >> 150 1 8.075 . 21.994011859400 . . . . . . . . . . . 27700 4 >> 150 2 120.383 . 20.306469180700 . . . . . . . . . . . 27700 4 >> 150 3 45.564 . 148.526202875000 . . . . . . . . . . . 27700 4 >> 151 1 8.973 . 25.754343701300 . . . . . . . . . . . 27700 4 >> 151 2 122.468 . 27.386457640500 . . . . . . . . . . . 27700 4 >> 151 3 48.148 . 155.661317417000 . . . . . . . . . . . 27700 4 >> 152 1 8.329 . 20.938342836900 . . . . . . . . . . . 27700 4 >> 152 2 124.014 . 20.950636651600 . . . . . . . . . . . 27700 4 >> 152 3 30.062 . 162.210352843000 . . . . . . . . . . . 27700 4 >> 153 1 8.329 . 20.955863608600 . . . . . . . . . . . 27700 4 >> 153 2 124.013 . 21.069088400900 . . . . . . . . . . . 27700 4 >> 153 3 56.505 . 155.224748280000 . . . . . . . . . . . 27700 4 >> 154 1 7.430 . 26.078052716700 . . . . . . . . . . . 27700 4 >> 154 2 121.331 . 28.518722072500 . . . . . . . . . . . 27700 4 >> 154 3 67.846 . 224.049673431000 . . . . . . . . . . . 27700 4 >> 155 1 7.432 . 23.438710055900 . . . . . . . . . . . 27700 4 >> 155 2 121.338 . 24.543357405100 . . . . . . . . . . . 27700 4 >> 155 3 66.588 . 179.907599819000 . . . . . . . . . . . 27700 4 >> 156 1 8.385 . 23.646067538800 . . . . . . . . . . . 27700 4 >> 156 2 124.461 . 22.489476383000 . . . . . . . . . . . 27700 4 >> 156 3 63.551 . 153.780980254000 . . . . . . . . . . . 27700 4 >> 157 1 8.385 . 23.596397001500 . . . . . . . . . . . 27700 4 >> 157 2 124.460 . 22.694184420600 . . . . . . . . . . . 27700 4 >> 157 3 58.587 . 155.871628120000 . . . . . . . . . . . 27700 4 >> 158 1 8.385 . 20.142083298700 . . . . . . . . . . . 27700 4 >> 158 2 124.361 . 15.214679559300 . . . . . . . . . . . 27700 4 >> 158 3 56.508 . 472.925478798000 . . . . . . . . . . . 27700 4 >> 159 1 9.312 . 25.689023542600 . . . . . . . . . . . 27700 4 >> 159 2 120.233 . 25.047121676000 . . . . . . . . . . . 27700 4 >> 159 3 38.886 . 166.987695024000 . . . . . . . . . . . 27700 4 >> 160 1 9.313 . 26.246456250800 . . . . . . . . . . . 27700 4 >> 160 2 120.224 . 27.063814358200 . . . . . . . . . . . 27700 4 >> 160 3 65.399 . 171.190669704000 . . . . . . . . . . . 27700 4 >> 161 1 8.438 . 32.723188128100 . . . . . . . . . . . 27700 4 >> 161 2 109.822 . 26.113273503800 . . . . . . . . . . . 27700 4 >> 161 3 63.826 . 134.669618064000 . . . . . . . . . . . 27700 4 >> 162 1 8.432 . 31.547255167700 . . . . . . . . . . . 27700 4 >> 162 2 109.785 . 32.225073864500 . . . . . . . . . . . 27700 4 >> 162 3 32.034 . 200.130070332000 . . . . . . . . . . . 27700 4 >> 163 1 7.897 . 20.923883947600 . . . . . . . . . . . 27700 4 >> 163 2 121.146 . 29.188026106500 . . . . . . . . . . . 27700 4 >> 163 3 62.423 . 154.740086766000 . . . . . . . . . . . 27700 4 >> 164 1 8.194 . 21.738514780500 . . . . . . . . . . . 27700 4 >> 164 2 125.079 . 21.314083806800 . . . . . . . . . . . 27700 4 >> 164 3 32.670 . 159.223143472000 . . . . . . . . . . . 27700 4 >> 165 1 8.194 . 21.799582324600 . . . . . . . . . . . 27700 4 >> 165 2 125.079 . 21.649811875300 . . . . . . . . . . . 27700 4 >> 165 3 55.651 . 152.014270674000 . . . . . . . . . . . 27700 4 >> 166 1 8.192 . 19.861921055700 . . . . . . . . . . . 27700 4 >> 166 2 125.162 . 11.752204079600 . . . . . . . . . . . 27700 4 >> 166 3 52.432 . 191.845722422000 . . . . . . . . . . . 27700 4 >> 167 1 8.534 . 33.337946079600 . . . . . . . . . . . 27700 4 >> 167 2 120.260 . 24.742211722600 . . . . . . . . . . . 27700 4 >> 167 3 58.667 . 155.727600174000 . . . . . . . . . . . 27700 4 >> 168 1 8.533 . 32.315447450200 . . . . . . . . . . . 27700 4 >> 168 2 120.316 . 29.407282360400 . . . . . . . . . . . 27700 4 >> 168 3 32.644 . 238.678726464000 . . . . . . . . . . . 27700 4 >> 169 1 8.529 . 33.218192455400 . . . . . . . . . . . 27700 4 >> 169 2 120.269 . 35.928670964700 . . . . . . . . . . . 27700 4 >> 169 3 38.820 . 725.167252148000 . . . . . . . . . . . 27700 4 >> 170 1 9.083 . 23.835564040700 . . . . . . . . . . . 27700 4 >> 170 2 122.294 . 25.482707323900 . . . . . . . . . . . 27700 4 >> 170 3 53.417 . 154.220041224000 . . . . . . . . . . . 27700 4 >> 171 1 9.083 . 24.380409009900 . . . . . . . . . . . 27700 4 >> 171 2 122.295 . 24.923677047800 . . . . . . . . . . . 27700 4 >> 171 3 37.408 . 178.878721984000 . . . . . . . . . . . 27700 4 >> 172 1 9.036 . 24.682854952900 . . . . . . . . . . . 27700 4 >> 172 2 125.170 . 25.668132518600 . . . . . . . . . . . 27700 4 >> 172 3 57.284 . 151.004579952000 . . . . . . . . . . . 27700 4 >> 173 1 9.036 . 25.591383513800 . . . . . . . . . . . 27700 4 >> 173 2 125.173 . 28.405607538600 . . . . . . . . . . . 27700 4 >> 173 3 30.020 . 165.168656952000 . . . . . . . . . . . 27700 4 >> 174 1 8.625 . 27.592493791000 . . . . . . . . . . . 27700 4 >> 174 2 121.087 . 21.539796369700 . . . . . . . . . . . 27700 4 >> 174 3 33.026 . 162.090744861000 . . . . . . . . . . . 27700 4 >> 175 1 8.625 . 26.910714635000 . . . . . . . . . . . 27700 4 >> 175 2 121.084 . 22.086086196100 . . . . . . . . . . . 27700 4 >> 175 3 56.579 . 155.600018326000 . . . . . . . . . . . 27700 4 >> 176 1 8.077 . 21.435048210000 . . . . . . . . . . . 27700 4 >> 176 2 128.919 . 21.733916060600 . . . . . . . . . . . 27700 4 >> 176 3 55.635 . 150.056686688000 . . . . . . . . . . . 27700 4 >> 177 1 8.077 . 21.452228772600 . . . . . . . . . . . 27700 4 >> 177 2 128.919 . 21.890115696600 . . . . . . . . . . . 27700 4 >> 177 3 31.002 . 161.586397866000 . . . . . . . . . . . 27700 4 >> 178 1 8.587 . 25.294040708200 . . . . . . . . . . . 27700 4 >> 178 2 120.170 . 25.945323385400 . . . . . . . . . . . 27700 4 >> 178 3 58.918 . 157.318884712000 . . . . . . . . . . . 27700 4 >> 179 1 8.587 . 26.517262741900 . . . . . . . . . . . 27700 4 >> 179 2 120.162 . 23.973910950400 . . . . . . . . . . . 27700 4 >> 179 3 40.635 . 171.055363173000 . . . . . . . . . . . 27700 4 >> 180 1 8.441 . 24.383811101500 . . . . . . . . . . . 27700 4 >> 180 2 120.979 . 28.298260640900 . . . . . . . . . . . 27700 4 >> 180 3 38.465 . 210.022647245000 . . . . . . . . . . . 27700 4 >> 181 1 8.441 . 27.247351598500 . . . . . . . . . . . 27700 4 >> 181 2 120.994 . 29.073878563200 . . . . . . . . . . . 27700 4 >> 181 3 67.061 . 146.662311809000 . . . . . . . . . . . 27700 4 >> 182 1 8.325 . 24.113685028700 . . . . . . . . . . . 27700 4 >> 182 2 120.169 . 31.366470850400 . . . . . . . . . . . 27700 4 >> 182 3 55.055 . 147.271814155000 . . . . . . . . . . . 27700 4 >> 183 1 8.327 . 28.919989932100 . . . . . . . . . . . 27700 4 >> 183 2 120.173 . 29.245013794000 . . . . . . . . . . . 27700 4 >> 183 3 18.110 . 157.634350767000 . . . . . . . . . . . 27700 4 >> 184 1 7.608 . 24.792062093100 . . . . . . . . . . . 27700 4 >> 184 2 122.088 . 25.359434863900 . . . . . . . . . . . 27700 4 >> 184 3 60.030 . 154.057822897000 . . . . . . . . . . . 27700 4 >> 185 1 7.609 . 24.753278248900 . . . . . . . . . . . 27700 4 >> 185 2 122.071 . 25.596940951300 . . . . . . . . . . . 27700 4 >> 185 3 32.156 . 155.010949010000 . . . . . . . . . . . 27700 4 >> 186 1 8.173 . 20.752588635700 . . . . . . . . . . . 27700 4 >> 186 2 121.028 . 24.681350249600 . . . . . . . . . . . 27700 4 >> 186 3 18.923 . 151.406761795000 . . . . . . . . . . . 27700 4 >> 187 1 8.173 . 20.705809876300 . . . . . . . . . . . 27700 4 >> 187 2 121.026 . 24.629269357000 . . . . . . . . . . . 27700 4 >> 187 3 52.766 . 155.602011792000 . . . . . . . . . . . 27700 4 >> 188 1 8.211 . 22.729373958000 . . . . . . . . . . . 27700 4 >> 188 2 116.977 . 20.859043147800 . . . . . . . . . . . 27700 4 >> 188 3 61.554 . 154.993755363000 . . . . . . . . . . . 27700 4 >> 189 1 8.211 . 22.740090546500 . . . . . . . . . . . 27700 4 >> 189 2 116.976 . 20.880908514300 . . . . . . . . . . . 27700 4 >> 189 3 69.894 . 163.018454277000 . . . . . . . . . . . 27700 4 >> 190 1 8.834 . 25.901654267400 . . . . . . . . . . . 27700 4 >> 190 2 119.999 . 25.922080673000 . . . . . . . . . . . 27700 4 >> 190 3 57.605 . 155.481905443000 . . . . . . . . . . . 27700 4 >> 191 1 8.834 . 26.984710127300 . . . . . . . . . . . 27700 4 >> 191 2 119.993 . 24.553515331200 . . . . . . . . . . . 27700 4 >> 191 3 42.928 . 149.781588328000 . . . . . . . . . . . 27700 4 >> 192 1 8.775 . 26.796064148200 . . . . . . . . . . . 27700 4 >> 192 2 121.930 . 26.003688418900 . . . . . . . . . . . 27700 4 >> 192 3 57.236 . 150.027781426000 . . . . . . . . . . . 27700 4 >> 193 1 8.775 . 23.207537931900 . . . . . . . . . . . 27700 4 >> 193 2 121.934 . 26.220878654000 . . . . . . . . . . . 27700 4 >> 193 3 66.743 . 158.003142047000 . . . . . . . . . . . 27700 4 >> 194 1 7.966 . 25.225488562600 . . . . . . . . . . . 27700 4 >> 194 2 121.001 . 27.365453115200 . . . . . . . . . . . 27700 4 >> 194 3 65.242 . 164.963080732000 . . . . . . . . . . . 27700 4 >> 195 1 7.967 . 23.683320441700 . . . . . . . . . . . 27700 4 >> 195 2 121.038 . 25.468503444100 . . . . . . . . . . . 27700 4 >> 195 3 32.213 . 175.323374694000 . . . . . . . . . . . 27700 4 >> 196 1 7.024 . 25.966123903200 . . . . . . . . . . . 27700 4 >> 196 2 104.609 . 28.741593859500 . . . . . . . . . . . 27700 4 >> 196 3 38.441 . 184.971751975000 . . . . . . . . . . . 27700 4 >> 197 1 7.021 . 29.328411028300 . . . . . . . . . . . 27700 4 >> 197 2 104.580 . 26.424725850400 . . . . . . . . . . . 27700 4 >> 197 3 51.775 . 159.403053813000 . . . . . . . . . . . 27700 4 >> 198 1 8.033 . 25.776627401200 . . . . . . . . . . . 27700 4 >> 198 2 120.052 . 25.886958352000 . . . . . . . . . . . 27700 4 >> 198 3 42.201 . 163.518565156000 . . . . . . . . . . . 27700 4 >> 199 1 8.033 . 24.666184704100 . . . . . . . . . . . 27700 4 >> 199 2 120.037 . 26.226818458300 . . . . . . . . . . . 27700 4 >> 199 3 58.317 . 160.069868317000 . . . . . . . . . . . 27700 4 >> 200 1 8.309 . 25.847390906500 . . . . . . . . . . . 27700 4 >> 200 2 121.937 . 25.979843117600 . . . . . . . . . . . 27700 4 >> 200 3 38.685 . 158.981934040000 . . . . . . . . . . . 27700 4 >> 201 1 8.309 . 25.930401941400 . . . . . . . . . . . 27700 4 >> 201 2 121.937 . 25.317597981500 . . . . . . . . . . . 27700 4 >> 201 3 53.104 . 156.981490528000 . . . . . . . . . . . 27700 4 >> 202 1 7.869 . 26.984029708900 . . . . . . . . . . . 27700 4 >> 202 2 120.632 . 25.122359197000 . . . . . . . . . . . 27700 4 >> 202 3 55.821 . 154.765752646000 . . . . . . . . . . . 27700 4 >> 203 1 7.868 . 24.361017087800 . . . . . . . . . . . 27700 4 >> 203 2 120.624 . 24.641235049600 . . . . . . . . . . . 27700 4 >> 203 3 18.218 . 157.626376902000 . . . . . . . . . . . 27700 4 >> 204 1 8.482 . 22.967010056000 . . . . . . . . . . . 27700 4 >> 204 2 109.469 . 21.502780198100 . . . . . . . . . . . 27700 4 >> 204 3 19.112 . 159.455382306000 . . . . . . . . . . . 27700 4 >> 205 1 8.482 . 22.943705728600 . . . . . . . . . . . 27700 4 >> 205 2 109.469 . 21.655837763700 . . . . . . . . . . . 27700 4 >> 205 3 52.634 . 151.210405356000 . . . . . . . . . . . 27700 4 >> 206 1 8.677 . 26.322322893400 . . . . . . . . . . . 27700 4 >> 206 2 112.665 . 21.853142567000 . . . . . . . . . . . 27700 4 >> 206 3 70.121 . 157.708358206000 . . . . . . . . . . . 27700 4 >> 207 1 8.677 . 26.230636524800 . . . . . . . . . . . 27700 4 >> 207 2 112.663 . 21.481086999800 . . . . . . . . . . . 27700 4 >> 207 3 61.298 . 162.026455570000 . . . . . . . . . . . 27700 4 >> 208 1 8.698 . 33.828867897100 . . . . . . . . . . . 27700 4 >> 208 2 115.000 . 27.707207072100 . . . . . . . . . . . 27700 4 >> 208 3 59.545 . 171.353137214000 . . . . . . . . . . . 27700 4 >> 209 1 8.698 . 28.012822207800 . . . . . . . . . . . 27700 4 >> 209 2 114.989 . 24.584075193900 . . . . . . . . . . . 27700 4 >> 209 3 30.092 . 209.877124200000 . . . . . . . . . . . 27700 4 >> 210 1 8.038 . 20.231047993900 . . . . . . . . . . . 27700 4 >> 210 2 117.069 . 24.020568543500 . . . . . . . . . . . 27700 4 >> 210 3 42.415 . 157.109072376000 . . . . . . . . . . . 27700 4 >> 211 1 8.038 . 20.666345613700 . . . . . . . . . . . 27700 4 >> 211 2 117.066 . 24.182751025900 . . . . . . . . . . . 27700 4 >> 211 3 55.012 . 153.721176262000 . . . . . . . . . . . 27700 4 >> 212 1 8.362 . 23.052742764300 . . . . . . . . . . . 27700 4 >> 212 2 116.442 . 23.543318181600 . . . . . . . . . . . 27700 4 >> 212 3 45.142 . 147.636120136000 . . . . . . . . . . . 27700 4 >> 213 1 8.001 . 25.481155746100 . . . . . . . . . . . 27700 4 >> 213 2 115.666 . 29.048397663600 . . . . . . . . . . . 27700 4 >> 213 3 29.394 . 168.905409682000 . . . . . . . . . . . 27700 4 >> 214 1 7.999 . 28.712802553800 . . . . . . . . . . . 27700 4 >> 214 2 115.669 . 28.384861265700 . . . . . . . . . . . 27700 4 >> 214 3 58.239 . 170.843059004000 . . . . . . . . . . . 27700 4 >> 215 1 8.379 . 22.120739771400 . . . . . . . . . . . 27700 4 >> 215 2 110.146 . 23.542973845100 . . . . . . . . . . . 27700 4 >> 215 3 29.909 . 156.765199425000 . . . . . . . . . . . 27700 4 >> 216 1 8.379 . 21.981083911300 . . . . . . . . . . . 27700 4 >> 216 2 110.144 . 23.688800344600 . . . . . . . . . . . 27700 4 >> 216 3 57.421 . 156.153205246000 . . . . . . . . . . . 27700 4 >> 217 1 8.345 . 22.117847993500 . . . . . . . . . . . 27700 4 >> 217 2 118.943 . 23.363574538700 . . . . . . . . . . . 27700 4 >> 217 3 54.744 . 149.229398141000 . . . . . . . . . . . 27700 4 >> 218 1 8.345 . 22.183678465900 . . . . . . . . . . . 27700 4 >> 218 2 118.948 . 22.673954652400 . . . . . . . . . . . 27700 4 >> 218 3 42.395 . 160.299116951000 . . . . . . . . . . . 27700 4 >> 220 1 6.736 . 20.989544315400 . . . . . . . . . . . 27700 4 >> 220 2 117.579 . 31.118892920900 . . . . . . . . . . . 27700 4 >> 220 3 56.700 . 146.018422168000 . . . . . . . . . . . 27700 4 >> 221 1 6.739 . 40.961523034300 . . . . . . . . . . . 27700 4 >> 221 2 117.562 . 38.899347866200 . . . . . . . . . . . 27700 4 >> 221 3 30.789 . 202.019876461000 . . . . . . . . . . . 27700 4 >> 222 1 7.675 . 24.829825309900 . . . . . . . . . . . 27700 4 >> 222 2 114.259 . 24.442552900400 . . . . . . . . . . . 27700 4 >> 222 3 28.255 . 143.965151796000 . . . . . . . . . . . 27700 4 >> 223 1 7.678 . 25.297272695300 . . . . . . . . . . . 27700 4 >> 223 2 114.259 . 28.500558323100 . . . . . . . . . . . 27700 4 >> 223 3 58.859 . 171.356376597000 . . . . . . . . . . . 27700 4 >> 224 1 9.241 . 21.005023832200 . . . . . . . . . . . 27700 4 >> 224 2 128.485 . 24.319366524500 . . . . . . . . . . . 27700 4 >> 224 3 57.783 . 161.801692235000 . . . . . . . . . . . 27700 4 >> 225 1 9.253 . 57.008508677900 . . . . . . . . . . . 27700 4 >> 225 2 128.482 . 31.502655928400 . . . . . . . . . . . 27700 4 >> 225 3 30.183 . 147.384943372000 . . . . . . . . . . . 27700 4 >> 226 1 8.364 . 23.004943377400 . . . . . . . . . . . 27700 4 >> 226 2 110.324 . 39.743488748100 . . . . . . . . . . . 27700 4 >> 226 3 32.973 . 150.535616986000 . . . . . . . . . . . 27700 4 >> 227 1 8.186 . 21.467027871000 . . . . . . . . . . . 27700 4 >> 227 2 122.341 . 74.859353450600 . . . . . . . . . . . 27700 4 >> 227 3 52.088 . 154.708938854000 . . . . . . . . . . . 27700 4 >> 228 1 8.186 . 19.476293973200 . . . . . . . . . . . 27700 4 >> 228 2 122.341 . 78.080018636900 . . . . . . . . . . . 27700 4 >> 228 3 19.181 . 147.322149181000 . . . . . . . . . . . 27700 4 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.411 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 4 >> 1 2 1 . . 120.007 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 4 >> 1 3 2 . . 56.745 . . 1 1 1 113 SER CA . . . . . . . . . . 256 . 27700 4 >> 2 1 1 . . 8.413 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 4 >> 2 2 1 . . 119.995 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 4 >> 2 3 2 . . 65.151 . . 1 1 1 113 SER CB . . . . . . . . . . 257 . 27700 4 >> 3 1 1 . . 7.719 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 4 >> 3 2 1 . . 119.938 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 4 >> 3 3 2 . . 67.054 . . 1 1 1 101 THR CA . . . . . . . . . . 302 . 27700 4 >> 4 1 1 . . 7.724 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 4 >> 4 2 1 . . 119.956 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 4 >> 4 3 2 . . 68.171 . . 1 1 1 101 THR CB . . . . . . . . . . 303 . 27700 4 >> 5 1 1 . . 7.565 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 4 >> 5 2 1 . . 118.896 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 4 >> 5 3 2 . . 68.579 . . 1 1 1 52 VAL CA . . . . . . . . . . 341 . 27700 4 >> 6 1 1 . . 7.562 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 4 >> 6 2 1 . . 118.916 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 4 >> 6 3 2 . . 31.419 . . 1 1 1 52 VAL CB . . . . . . . . . . 532 . 27700 4 >> 7 1 1 . . 7.470 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 4 >> 7 2 1 . . 117.828 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 4 >> 7 3 2 . . 66.343 . . 1 1 1 93 ILE CA . . . . . . . . . . 545 . 27700 4 >> 8 1 1 . . 7.469 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 4 >> 8 2 1 . . 117.831 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 4 >> 8 3 2 . . 37.793 . . 1 1 1 93 ILE CB . . . . . . . . . . 461 . 27700 4 >> 9 1 1 . . 8.426 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 4 >> 9 2 1 . . 124.070 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 4 >> 9 3 2 . . 58.537 . . 1 1 1 39 SER CA . . . . . . . . . . 319 . 27700 4 >> 10 1 1 . . 8.426 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 4 >> 10 2 1 . . 124.070 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 4 >> 10 3 2 . . 63.759 . . 1 1 1 39 SER CB . . . . . . . . . . 320 . 27700 4 >> 11 1 1 . . 8.415 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 4 >> 11 2 1 . . 126.795 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 4 >> 11 3 3 . . 58.383 . . 1 1 1 27 SER CA . . . . . . . . . . 233 . 27700 4 >> 12 1 1 . . 8.415 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 4 >> 12 2 1 . . 126.795 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 4 >> 12 3 1 . . 63.778 . . 1 1 1 27 SER CB . . . . . . . . . . 510 . 27700 4 >> 13 1 1 . . 7.363 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 4 >> 13 2 1 . . 120.662 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 4 >> 13 3 1 . . 56.934 . . 1 1 1 76 LYS CA . . . . . . . . . . 236 . 27700 4 >> 14 1 1 . . 7.363 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 4 >> 14 2 1 . . 120.676 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 4 >> 14 3 2 . . 33.326 . . 1 1 1 76 LYS CB . . . . . . . . . . 540 . 27700 4 >> 15 1 1 . . 9.099 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 4 >> 15 2 1 . . 119.851 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 4 >> 15 3 2 . . 51.920 . . 1 1 1 102 LEU CA . . . . . . . . . . 221 . 27700 4 >> 16 1 1 . . 9.101 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 4 >> 16 2 1 . . 119.837 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 4 >> 16 3 2 . . 45.573 . . 1 1 1 102 LEU CB . . . . . . . . . . 222 . 27700 4 >> 17 1 1 . . 9.149 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 4 >> 17 2 1 . . 126.019 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 4 >> 17 3 1 . . 41.106 . . 1 1 1 81 ASP CB . . . . . . . . . . 243 . 27700 4 >> 18 1 1 . . 9.151 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 4 >> 18 2 1 . . 126.000 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 4 >> 18 3 1 . . 53.275 . . 1 1 1 81 ASP CA . . . . . . . . . . 339 . 27700 4 >> 19 1 1 . . 7.234 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 4 >> 19 2 1 . . 117.732 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 4 >> 19 3 1 . . 68.676 . . 1 1 1 72 THR CB . . . . . . . . . . 247 . 27700 4 >> 20 1 1 . . 7.235 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 4 >> 20 2 1 . . 117.752 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 4 >> 20 3 1 . . 67.142 . . 1 1 1 72 THR CA . . . . . . . . . . 278 . 27700 4 >> 21 1 1 . . 8.509 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 >> 21 2 1 . . 126.691 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 >> 21 3 1 . . 61.628 . . 1 1 1 13 THR CA . . . . . . . . . . 250 . 27700 4 >> 22 1 1 . . 8.509 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 >> 22 2 1 . . 126.691 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 >> 22 3 1 . . 70.076 . . 1 1 1 13 THR CB . . . . . . . . . . 251 . 27700 4 >> 23 1 1 . . 8.508 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 >> 23 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 >> 24 1 1 . . 8.508 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 >> 24 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 >> 25 1 1 . . 7.748 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 4 >> 25 2 1 . . 114.493 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 4 >> 25 3 1 . . 44.831 . . 1 1 1 112 GLY CA . . . . . . . . . . 255 . 27700 4 >> 26 1 1 . . 8.201 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 >> 26 2 1 . . 119.567 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 >> 26 3 1 . . 30.406 . . 1 1 1 57 ARG CB . . . . . . . . . . 466 . 27700 4 >> 27 1 1 . . 8.201 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 >> 27 2 1 . . 119.572 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 >> 27 3 1 . . 59.547 . . 1 1 1 57 ARG CA . . . . . . . . . . 465 . 27700 4 >> 28 1 1 . . 8.200 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 >> 28 2 1 . . 119.567 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 >> 29 1 1 . . 8.202 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 >> 29 2 1 . . 119.567 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 >> 30 1 1 . . 7.807 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 4 >> 30 2 1 . . 113.504 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 4 >> 30 3 2 . . 51.442 . . 1 1 1 99 ASN CA . . . . . . . . . . 297 . 27700 4 >> 31 1 1 . . 7.808 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 4 >> 31 2 1 . . 113.504 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 4 >> 31 3 2 . . 37.607 . . 1 1 1 99 ASN CB . . . . . . . . . . 296 . 27700 4 >> 32 1 1 . . 8.577 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 4 >> 32 2 1 . . 117.651 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 4 >> 32 3 2 . . 32.030 . . 1 1 1 53 VAL CB . . . . . . . . . . 226 . 27700 4 >> 33 1 1 . . 8.577 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 4 >> 33 2 1 . . 117.661 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 4 >> 33 3 2 . . 67.913 . . 1 1 1 53 VAL CA . . . . . . . . . . 227 . 27700 4 >> 34 1 1 . . 8.420 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 >> 34 2 1 . . 116.565 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 >> 34 3 1 . . 32.102 . . 1 . . . . . . . . . . . . . . . 269 . 27700 4 >> 35 1 1 . . 8.420 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 >> 35 2 1 . . 116.564 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 >> 35 3 1 . . 63.449 . . 1 . . . . . . . . . . . . . . . 270 . 27700 4 >> 36 1 1 . . 8.415 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 >> 36 2 1 . . 116.582 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 >> 37 1 1 . . 8.360 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 4 >> 37 2 1 . . 126.461 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 4 >> 37 3 1 . . 30.505 . . 1 1 1 7 GLU CB . . . . . . . . . . 272 . 27700 4 >> 38 1 1 . . 8.360 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 4 >> 38 2 1 . . 126.461 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 4 >> 38 3 1 . . 56.237 . . 1 1 1 7 GLU CA . . . . . . . . . . 273 . 27700 4 >> 39 1 1 . . 7.933 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 4 >> 39 2 1 . . 114.422 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 4 >> 39 3 1 . . 60.691 . . 1 1 1 71 TYR CA . . . . . . . . . . 277 . 27700 4 >> 40 1 1 . . 7.933 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 4 >> 40 2 1 . . 114.409 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 4 >> 40 3 1 . . 38.043 . . 1 1 1 71 TYR CB . . . . . . . . . . 431 . 27700 4 >> 41 1 1 . . 8.646 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 4 >> 41 2 1 . . 119.123 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 4 >> 41 3 1 . . 47.595 . . 1 1 1 60 GLY CA . . . . . . . . . . 280 . 27700 4 >> 42 1 1 . . 8.301 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 >> 42 2 1 . . 123.967 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 >> 42 3 1 . . 19.200 . . 1 1 1 8 ALA CB . . . . . . . . . . 284 . 27700 4 >> 43 1 1 . . 8.301 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 >> 43 2 1 . . 123.967 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 >> 43 3 1 . . 52.056 . . 1 1 1 8 ALA CA . . . . . . . . . . 275 . 27700 4 >> 44 1 1 . . 8.300 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 >> 44 2 1 . . 123.983 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 >> 45 1 1 . . 8.803 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 4 >> 45 2 1 . . 126.117 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 4 >> 45 3 1 . . 45.690 . . 1 1 1 109 GLY CA . . . . . . . . . . 500 . 27700 4 >> 46 1 1 . . 7.683 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 46 2 1 . . 114.337 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 46 3 1 . . 53.256 . . 1 . . . . . . . . . . . . . . . 295 . 27700 4 >> 47 1 1 . . 7.683 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 47 2 1 . . 114.204 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 47 3 1 . . 38.809 . . 1 . . . . . . . . . . . . . . . 294 . 27700 4 >> 48 1 1 . . 7.682 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 48 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 49 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 49 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 50 1 1 . . 8.250 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 >> 50 2 1 . . 119.122 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 >> 50 3 2 . . 32.142 . . 1 1 1 90 LYS CB . . . . . . . . . . 489 . 27700 4 >> 51 1 1 . . 8.248 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 >> 51 2 1 . . 119.115 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 >> 51 3 2 . . 60.839 . . 1 1 1 90 LYS CA . . . . . . . . . . 488 . 27700 4 >> 52 1 1 . . 8.248 . . 1 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 >> 52 2 1 . . 119.133 . . 1 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 >> 53 1 1 . . 8.331 . . 1 1 1 55 THR H . . . . . . . . . . 47 . 27700 4 >> 53 2 1 . . 117.426 . . 1 1 1 55 THR N . . . . . . . . . . 48 . 27700 4 >> 53 3 1 . . 58.835 . . 1 1 1 54 GLU CA . . . . . . . . . . 265 . 27700 4 >> 54 1 1 . . 8.330 . . 1 1 1 55 THR H . . . . . . . . . . 47 . 27700 4 >> 54 2 1 . . 117.420 . . 1 1 1 55 THR N . . . . . . . . . . 48 . 27700 4 >> 54 3 1 . . 29.392 . . 1 1 1 54 GLU CB . . . . . . . . . . 266 . 27700 4 >> 55 1 1 . . 8.806 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 4 >> 55 2 1 . . 119.045 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 4 >> 55 3 2 . . 39.840 . . 1 1 1 100 ASP CB . . . . . . . . . . 263 . 27700 4 >> 56 1 1 . . 8.805 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 4 >> 56 2 1 . . 119.050 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 4 >> 56 3 2 . . 56.310 . . 1 1 1 100 ASP CA . . . . . . . . . . 262 . 27700 4 >> 57 1 1 . . 7.687 . . 1 . . . . . . . . . . . . . . . 51 . 27700 4 >> 57 2 1 . . 113.392 . . 1 . . . . . . . . . . . . . . . 52 . 27700 4 >> 57 3 1 . . 38.705 . . 1 . . . . . . . . . . . . . . . 306 . 27700 4 >> 58 1 1 . . 7.687 . . 1 . . . . . . . . . . . . . . . 51 . 27700 4 >> 58 2 1 . . 113.394 . . 1 . . . . . . . . . . . . . . . 52 . 27700 4 >> 58 3 1 . . 53.127 . . 1 . . . . . . . . . . . . . . . 305 . 27700 4 >> 59 1 1 . . 8.309 . . 1 1 1 26 GLY H . . . . . . . . . . 53 . 27700 4 >> 59 2 1 . . 109.371 . . 1 1 1 26 GLY N . . . . . . . . . . 54 . 27700 4 >> 59 3 1 . . 45.208 . . 1 1 1 25 GLY CA . . . . . . . . . . 308 . 27700 4 >> 60 1 1 . . 7.423 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 4 >> 60 2 1 . . 117.234 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 4 >> 60 3 2 . . 29.151 . . 1 1 1 86 ARG CB . . . . . . . . . . 421 . 27700 4 >> 61 1 1 . . 7.424 . . 1 1 1 87 THR H . . . . . . . . . . 55 . 27700 4 >> 61 2 1 . . 117.232 . . 1 1 1 87 THR N . . . . . . . . . . 56 . 27700 4 >> 61 3 2 . . 61.012 . . 1 1 1 86 ARG CA . . . . . . . . . . 420 . 27700 4 >> 62 1 1 . . 8.485 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 >> 62 2 1 . . 126.809 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 >> 62 3 2 . . 33.091 . . 1 1 1 23 LYS CB . . . . . . . . . . 316 . 27700 4 >> 63 1 1 . . 8.485 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 >> 63 2 1 . . 126.810 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 >> 63 3 2 . . 56.247 . . 1 1 1 23 LYS CA . . . . . . . . . . 315 . 27700 4 >> 64 1 1 . . 8.482 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 >> 64 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 >> 65 1 1 . . 8.486 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 >> 65 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 >> 66 1 1 . . 8.465 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 4 >> 66 2 1 . . 125.474 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 4 >> 66 3 1 . . 61.837 . . 1 1 1 22 THR CA . . . . . . . . . . 398 . 27700 4 >> 67 1 1 . . 8.465 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 4 >> 67 2 1 . . 125.473 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 4 >> 67 3 1 . . 69.861 . . 1 1 1 22 THR CB . . . . . . . . . . 317 . 27700 4 >> 68 1 1 . . 8.405 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 4 >> 68 2 1 . . 117.732 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 4 >> 68 3 1 . . 53.149 . . 1 1 1 38 ASN CA . . . . . . . . . . 453 . 27700 4 >> 69 1 1 . . 8.405 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 4 >> 69 2 1 . . 117.730 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 4 >> 69 3 1 . . 38.819 . . 1 1 1 38 ASN CB . . . . . . . . . . 452 . 27700 4 >> 70 1 1 . . 8.092 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 4 >> 70 2 1 . . 123.815 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 4 >> 70 3 1 . . 52.323 . . 1 . . . . . . . . . . . . . . . 321 . 27700 4 >> 71 1 1 . . 8.092 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 4 >> 71 2 1 . . 123.822 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 4 >> 71 3 1 . . 38.463 . . 1 . . . . . . . . . . . . . . . 322 . 27700 4 >> 72 1 1 . . 8.604 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 4 >> 72 2 1 . . 125.270 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 4 >> 72 3 1 . . 32.689 . . 1 1 1 3 VAL CB . . . . . . . . . . 325 . 27700 4 >> 73 1 1 . . 8.604 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 4 >> 73 2 1 . . 125.270 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 4 >> 73 3 1 . . 62.525 . . 1 1 1 3 VAL CA . . . . . . . . . . 326 . 27700 4 >> 74 1 1 . . 7.178 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 4 >> 74 2 1 . . 125.077 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 4 >> 74 3 1 . . 29.021 . . 1 1 1 79 TRP CB . . . . . . . . . . 332 . 27700 4 >> 75 1 1 . . 7.179 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 4 >> 75 2 1 . . 125.075 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 4 >> 75 3 1 . . 53.515 . . 1 1 1 79 TRP CA . . . . . . . . . . 333 . 27700 4 >> 76 1 1 . . 8.150 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 4 >> 76 2 1 . . 118.909 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 4 >> 76 3 1 . . 59.095 . . 1 1 1 58 ARG CA . . . . . . . . . . 260 . 27700 4 >> 77 1 1 . . 8.150 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 4 >> 77 2 1 . . 118.913 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 4 >> 77 3 2 . . 30.196 . . 1 1 1 58 ARG CB . . . . . . . . . . 259 . 27700 4 >> 78 1 1 . . 7.087 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 4 >> 78 2 1 . . 127.524 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 4 >> 78 3 1 . . 40.070 . . 1 1 1 80 PHE CB . . . . . . . . . . 334 . 27700 4 >> 79 1 1 . . 7.091 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 4 >> 79 2 1 . . 127.532 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 4 >> 79 3 1 . . 60.410 . . 1 1 1 80 PHE CA . . . . . . . . . . 338 . 27700 4 >> 80 1 1 . . 8.362 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 4 >> 80 2 1 . . 123.673 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 4 >> 80 3 2 . . 57.610 . . 1 1 1 51 LEU CA . . . . . . . . . . 411 . 27700 4 >> 81 1 1 . . 8.362 . . 1 1 1 52 VAL H . . . . . . . . . . 75 . 27700 4 >> 81 2 1 . . 123.706 . . 1 1 1 52 VAL N . . . . . . . . . . 76 . 27700 4 >> 81 3 2 . . 41.929 . . 1 1 1 51 LEU CB . . . . . . . . . . 410 . 27700 4 >> 82 1 1 . . 8.282 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 4 >> 82 2 1 . . 123.678 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 4 >> 82 3 1 . . 32.940 . . 1 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 4 >> 83 1 1 . . 8.281 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 4 >> 83 2 1 . . 123.679 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 4 >> 83 3 1 . . 56.307 . . 1 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 4 >> 84 1 1 . . 8.285 . . 1 1 1 92 SER H . . . . . . . . . . 81 . 27700 4 >> 84 2 1 . . 118.536 . . 1 1 1 92 SER N . . . . . . . . . . 82 . 27700 4 >> 84 3 2 . . 37.385 . . 1 1 1 91 TYR CB . . . . . . . . . . 299 . 27700 4 >> 85 1 1 . . 8.286 . . 1 1 1 92 SER H . . . . . . . . . . 81 . 27700 4 >> 85 2 1 . . 118.560 . . 1 1 1 92 SER N . . . . . . . . . . 82 . 27700 4 >> 85 3 2 . . 60.447 . . 1 1 1 91 TYR CA . . . . . . . . . . 300 . 27700 4 >> 86 1 1 . . 8.429 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 4 >> 86 2 1 . . 123.785 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 4 >> 86 3 1 . . 32.945 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 >> 87 1 1 . . 8.429 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 4 >> 87 2 1 . . 123.784 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 4 >> 87 3 1 . . 56.470 . . 1 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 4 >> 88 1 1 . . 8.041 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 4 >> 88 2 1 . . 111.906 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 4 >> 88 3 1 . . 44.919 . . 1 1 1 107 GLY CA . . . . . . . . . . 349 . 27700 4 >> 89 1 1 . . 8.620 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 4 >> 89 2 1 . . 113.486 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 4 >> 89 3 1 . . 44.799 . . 1 1 1 64 GLY CA . . . . . . . . . . 485 . 27700 4 >> 90 1 1 . . 8.569 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 4 >> 90 2 1 . . 127.673 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 4 >> 90 3 2 . . 54.963 . . 1 1 1 104 GLN CA . . . . . . . . . . 367 . 27700 4 >> 91 1 1 . . 8.571 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 4 >> 91 2 1 . . 127.675 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 4 >> 91 3 2 . . 29.341 . . 1 1 1 104 GLN CB . . . . . . . . . . 368 . 27700 4 >> 92 1 1 . . 8.228 . . 1 1 1 49 SER H . . . . . . . . . . 93 . 27700 4 >> 92 2 1 . . 118.374 . . 1 1 1 49 SER N . . . . . . . . . . 94 . 27700 4 >> 92 3 1 . . 37.877 . . 1 . . . . . . . . . . . . . . . 358 . 27700 4 >> 93 1 1 . . 8.228 . . 1 1 1 49 SER H . . . . . . . . . . 93 . 27700 4 >> 93 2 1 . . 118.388 . . 1 1 1 49 SER N . . . . . . . . . . 94 . 27700 4 >> 93 3 1 . . 63.833 . . 1 . . . . . . . . . . . . . . . 357 . 27700 4 >> 94 1 1 . . 7.305 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 4 >> 94 2 1 . . 111.404 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 4 >> 94 3 1 . . 54.800 . . 1 1 1 74 ALA CA . . . . . . . . . . 450 . 27700 4 >> 95 1 1 . . 7.304 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 4 >> 95 2 1 . . 111.405 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 4 >> 95 3 1 . . 18.699 . . 1 1 1 74 ALA CB . . . . . . . . . . 361 . 27700 4 >> 96 1 1 . . 8.212 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 4 >> 96 2 1 . . 108.079 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 4 >> 96 3 1 . . 39.463 . . 1 1 1 111 ASN CB . . . . . . . . . . 408 . 27700 4 >> 97 1 1 . . 8.212 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 4 >> 97 2 1 . . 108.078 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 4 >> 97 3 1 . . 52.836 . . 1 1 1 111 ASN CA . . . . . . . . . . 409 . 27700 4 >> 98 1 1 . . 8.522 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 >> 98 2 1 . . 124.062 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 >> 98 3 1 . . 56.128 . . 1 1 1 36 ARG CA . . . . . . . . . . 530 . 27700 4 >> 99 1 1 . . 8.522 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 >> 99 2 1 . . 124.060 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 >> 99 3 1 . . 30.836 . . 1 1 1 36 ARG CB . . . . . . . . . . 346 . 27700 4 >> 100 1 1 . . 8.524 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 >> 100 2 1 . . 124.075 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 >> 101 1 1 . . 8.986 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 4 >> 101 2 1 . . 125.006 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 4 >> 101 3 2 . . 53.366 . . 1 1 1 103 LEU CA . . . . . . . . . . 241 . 27700 4 >> 102 1 1 . . 8.985 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 4 >> 102 2 1 . . 125.002 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 4 >> 102 3 2 . . 44.576 . . 1 1 1 103 LEU CB . . . . . . . . . . 240 . 27700 4 >> 103 1 1 . . 8.442 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 4 >> 103 2 1 . . 123.473 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 4 >> 103 3 1 . . 32.944 . . 1 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 4 >> 104 1 1 . . 8.442 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 4 >> 104 2 1 . . 123.474 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 4 >> 104 3 1 . . 56.352 . . 1 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 4 >> 105 1 1 . . 8.306 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 >> 105 2 1 . . 123.282 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 >> 105 3 1 . . 32.958 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 >> 106 1 1 . . 8.327 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 >> 106 2 1 . . 123.493 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 >> 106 3 3 . . 32.857 . . 1 1 1 40 LYS CB . . . . . . . . . . 562 . 27700 4 >> 107 1 1 . . 8.326 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 >> 107 2 1 . . 123.443 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 >> 107 3 3 . . 56.407 . . 1 1 1 40 LYS CA . . . . . . . . . . 563 . 27700 4 >> 108 1 1 . . 8.188 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 4 >> 108 2 1 . . 121.943 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 4 >> 108 3 1 . . 52.362 . . 1 . . . . . . . . . . . . . . . 372 . 27700 4 >> 109 1 1 . . 8.188 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 4 >> 109 2 1 . . 121.945 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 4 >> 109 3 1 . . 19.026 . . 1 . . . . . . . . . . . . . . . 373 . 27700 4 >> 110 1 1 . . 8.074 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 4 >> 110 2 1 . . 109.996 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 4 >> 110 3 1 . . 52.726 . . 1 1 1 84 ASN CA . . . . . . . . . . 515 . 27700 4 >> 111 1 1 . . 8.072 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 4 >> 111 2 1 . . 109.996 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 4 >> 111 3 1 . . 41.387 . . 1 1 1 84 ASN CB . . . . . . . . . . 376 . 27700 4 >> 112 1 1 . . 9.387 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 4 >> 112 2 1 . . 121.675 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 4 >> 112 3 2 . . 56.759 . . 1 1 1 66 SER CA . . . . . . . . . . 480 . 27700 4 >> 113 1 1 . . 9.392 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 4 >> 113 2 1 . . 121.632 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 4 >> 113 3 2 . . 65.512 . . 1 1 1 66 SER CB . . . . . . . . . . 479 . 27700 4 >> 114 1 1 . . 8.460 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 4 >> 114 2 1 . . 120.507 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 4 >> 114 3 2 . . 53.220 . . 1 1 1 14 ALA CA . . . . . . . . . . 252 . 27700 4 >> 115 1 1 . . 8.460 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 4 >> 115 2 1 . . 120.508 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 4 >> 115 3 2 . . 18.929 . . 1 1 1 14 ALA CB . . . . . . . . . . 253 . 27700 4 >> 116 1 1 . . 8.307 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 >> 116 2 1 . . 123.279 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 >> 116 3 1 . . 56.347 . . 1 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 4 >> 117 1 1 . . 8.305 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 >> 117 2 1 . . 123.207 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 >> 117 3 1 . . 32.975 . . 1 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 4 >> 118 1 1 . . 8.301 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 >> 118 2 1 . . 123.162 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 >> 119 1 1 . . 8.345 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 >> 119 2 1 . . 118.840 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 >> 119 3 1 . . 32.727 . . 1 1 1 11 VAL CB . . . . . . . . . . 394 . 27700 4 >> 120 1 1 . . 8.345 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 >> 120 2 1 . . 118.841 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 >> 120 3 1 . . 62.309 . . 1 1 1 11 VAL CA . . . . . . . . . . 388 . 27700 4 >> 121 1 1 . . 8.346 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 >> 121 2 1 . . 118.797 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 >> 122 1 1 . . 8.375 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 >> 122 2 1 . . 121.602 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 >> 122 3 1 . . 62.873 . . 1 1 1 10 PRO CA . . . . . . . . . . 393 . 27700 4 >> 123 1 1 . . 8.375 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 >> 123 2 1 . . 121.601 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 >> 123 3 1 . . 32.044 . . 1 1 1 10 PRO CB . . . . . . . . . . 392 . 27700 4 >> 124 1 1 . . 8.380 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 >> 124 2 1 . . 121.624 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 >> 125 1 1 . . 8.372 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 >> 125 2 1 . . 121.624 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 >> 126 1 1 . . 8.385 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 4 >> 126 2 1 . . 120.507 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 4 >> 126 3 1 . . 62.224 . . 1 1 1 21 VAL CA . . . . . . . . . . 384 . 27700 4 >> 127 1 1 . . 8.385 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 4 >> 127 2 1 . . 120.506 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 4 >> 127 3 1 . . 32.854 . . 1 1 1 21 VAL CB . . . . . . . . . . 397 . 27700 4 >> 128 1 1 . . 8.189 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 4 >> 128 2 1 . . 123.620 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 4 >> 128 3 1 . . 19.049 . . 1 1 1 28 ALA CB . . . . . . . . . . 232 . 27700 4 >> 129 1 1 . . 8.189 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 4 >> 129 2 1 . . 123.619 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 4 >> 129 3 1 . . 52.553 . . 1 1 1 28 ALA CA . . . . . . . . . . 399 . 27700 4 >> 130 1 1 . . 8.425 . . 1 1 1 7 GLU H . . . . . . . . . . 125 . 27700 4 >> 130 2 1 . . 123.107 . . 1 1 1 7 GLU N . . . . . . . . . . 126 . 27700 4 >> 130 3 1 . . 30.361 . . 1 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 4 >> 131 1 1 . . 8.425 . . 1 1 1 7 GLU H . . . . . . . . . . 125 . 27700 4 >> 131 2 1 . . 123.106 . . 1 1 1 7 GLU N . . . . . . . . . . 126 . 27700 4 >> 131 3 1 . . 56.468 . . 1 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 4 >> 132 1 1 . . 8.503 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 4 >> 132 2 1 . . 120.484 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 4 >> 132 3 1 . . 56.275 . . 1 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 4 >> 133 1 1 . . 8.504 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 4 >> 133 2 1 . . 120.486 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 4 >> 133 3 1 . . 33.109 . . 1 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 4 >> 134 1 1 . . 8.458 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 4 >> 134 2 1 . . 123.077 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 4 >> 134 3 2 . . 42.593 . . 1 1 1 96 LEU CB . . . . . . . . . . 467 . 27700 4 >> 135 1 1 . . 8.469 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 4 >> 135 2 1 . . 123.077 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 4 >> 135 3 2 . . 56.073 . . 1 1 1 96 LEU CA . . . . . . . . . . 468 . 27700 4 >> 136 1 1 . . 8.279 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 4 >> 136 2 1 . . 118.857 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 4 >> 136 3 2 . . 27.366 . . 1 1 1 82 GLN CB . . . . . . . . . . 245 . 27700 4 >> 137 1 1 . . 8.279 . . 1 1 1 83 GLN H . . . . . . . . . . 133 . 27700 4 >> 137 2 1 . . 118.850 . . 1 1 1 83 GLN N . . . . . . . . . . 134 . 27700 4 >> 137 3 2 . . 58.023 . . 1 1 1 82 GLN CA . . . . . . . . . . 244 . 27700 4 >> 138 1 1 . . 8.122 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 4 >> 138 2 1 . . 116.326 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 4 >> 138 3 2 . . 53.093 . . 1 1 1 110 ALA CA . . . . . . . . . . 289 . 27700 4 >> 139 1 1 . . 8.121 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 4 >> 139 2 1 . . 116.326 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 4 >> 139 3 2 . . 19.047 . . 1 1 1 110 ALA CB . . . . . . . . . . 288 . 27700 4 >> 140 1 1 . . 7.741 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 4 >> 140 2 1 . . 120.418 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 4 >> 140 3 1 . . 28.066 . . 1 1 1 50 GLN CB . . . . . . . . . . 438 . 27700 4 >> 141 1 1 . . 7.740 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 4 >> 141 2 1 . . 120.406 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 4 >> 141 3 1 . . 58.745 . . 1 1 1 50 GLN CA . . . . . . . . . . 437 . 27700 4 >> 142 1 1 . . 8.408 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 >> 142 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 >> 142 3 1 . . 42.429 . . 1 1 1 5 LEU CB . . . . . . . . . . 424 . 27700 4 >> 143 1 1 . . 8.408 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 >> 143 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 >> 143 3 1 . . 55.088 . . 1 1 1 5 LEU CA . . . . . . . . . . 413 . 27700 4 >> 144 1 1 . . 8.411 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 >> 144 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 >> 145 1 1 . . 8.404 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 >> 145 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 >> 146 1 1 . . 8.812 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 4 >> 146 2 1 . . 121.400 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 4 >> 146 3 2 . . 34.857 . . 1 1 1 88 TYR CB . . . . . . . . . . 428 . 27700 4 >> 147 1 1 . . 8.810 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 4 >> 147 2 1 . . 121.350 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 4 >> 147 3 2 . . 57.828 . . 1 1 1 88 TYR CA . . . . . . . . . . 427 . 27700 4 >> 148 1 1 . . 7.487 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 4 >> 148 2 1 . . 105.016 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 4 >> 148 3 1 . . 42.227 . . 1 1 1 59 LEU CB . . . . . . . . . . 336 . 27700 4 >> 149 1 1 . . 7.487 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 4 >> 149 2 1 . . 105.015 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 4 >> 149 3 1 . . 57.203 . . 1 1 1 59 LEU CA . . . . . . . . . . 337 . 27700 4 >> 150 1 1 . . 8.075 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 4 >> 150 2 1 . . 120.383 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 4 >> 150 3 1 . . 45.564 . . 1 1 1 16 GLY CA . . . . . . . . . . 517 . 27700 4 >> 151 1 1 . . 8.973 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 4 >> 151 2 1 . . 122.468 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 4 >> 151 3 2 . . 48.148 . . 1 1 1 85 GLY CA . . . . . . . . . . 377 . 27700 4 >> 152 1 1 . . 8.329 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 4 >> 152 2 1 . . 124.014 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 4 >> 152 3 1 . . 30.062 . . 1 1 1 4 GLU CB . . . . . . . . . . 329 . 27700 4 >> 153 1 1 . . 8.329 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 4 >> 153 2 1 . . 124.013 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 4 >> 153 3 1 . . 56.505 . . 1 1 1 4 GLU CA . . . . . . . . . . 423 . 27700 4 >> 154 1 1 . . 7.430 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 4 >> 154 2 1 . . 121.331 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 4 >> 154 3 2 . . 67.846 . . 1 1 1 87 THR CB . . . . . . . . . . 310 . 27700 4 >> 155 1 1 . . 7.432 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 4 >> 155 2 1 . . 121.338 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 4 >> 155 3 2 . . 66.588 . . 1 1 1 87 THR CA . . . . . . . . . . 309 . 27700 4 >> 156 1 1 . . 8.385 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 >> 156 2 1 . . 124.461 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 >> 156 3 1 . . 63.551 . . 1 1 1 33 SER CB . . . . . . . . . . 429 . 27700 4 >> 157 1 1 . . 8.385 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 >> 157 2 1 . . 124.460 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 >> 157 3 1 . . 58.587 . . 1 1 1 33 SER CA . . . . . . . . . . 271 . 27700 4 >> 158 1 1 . . 8.385 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 >> 158 2 1 . . 124.361 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 >> 159 1 1 . . 9.312 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 4 >> 159 2 1 . . 120.233 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 4 >> 159 3 1 . . 38.886 . . 1 1 1 70 ILE CB . . . . . . . . . . 444 . 27700 4 >> 160 1 1 . . 9.313 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 4 >> 160 2 1 . . 120.224 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 4 >> 160 3 1 . . 65.399 . . 1 1 1 70 ILE CA . . . . . . . . . . 430 . 27700 4 >> 161 1 1 . . 8.438 . . 1 1 1 46 GLY H . . . . . . . . . . 157 . 27700 4 >> 161 2 1 . . 109.822 . . 1 1 1 46 GLY N . . . . . . . . . . 158 . 27700 4 >> 161 3 1 . . 63.826 . . 1 . . . . . . . . . . . . . . . 433 . 27700 4 >> 162 1 1 . . 8.432 . . 1 1 1 46 GLY H . . . . . . . . . . 157 . 27700 4 >> 162 2 1 . . 109.785 . . 1 1 1 46 GLY N . . . . . . . . . . 158 . 27700 4 >> 162 3 1 . . 32.034 . . 1 . . . . . . . . . . . . . . . 434 . 27700 4 >> 163 1 1 . . 7.897 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 4 >> 163 2 1 . . 121.146 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 4 >> 163 3 1 . . 62.423 . . 1 1 1 49 SER CA . . . . . . . . . . 359 . 27700 4 >> 164 1 1 . . 8.194 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 >> 164 2 1 . . 125.079 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 >> 164 3 1 . . 32.670 . . 1 1 1 17 MET CB . . . . . . . . . . 440 . 27700 4 >> 165 1 1 . . 8.194 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 >> 165 2 1 . . 125.079 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 >> 165 3 1 . . 55.651 . . 1 1 1 17 MET CA . . . . . . . . . . 418 . 27700 4 >> 166 1 1 . . 8.192 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 >> 166 2 1 . . 125.162 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 >> 166 3 1 . . 52.432 . . 1 . . . . . . . . . . . . . . . 441 . 27700 4 >> 167 1 1 . . 8.534 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 >> 167 2 1 . . 120.260 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 >> 167 3 1 . . 58.667 . . 1 1 1 69 LYS CA . . . . . . . . . . 443 . 27700 4 >> 168 1 1 . . 8.533 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 >> 168 2 1 . . 120.316 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 >> 168 3 1 . . 32.644 . . 1 1 1 69 LYS CB . . . . . . . . . . 496 . 27700 4 >> 169 1 1 . . 8.529 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 >> 169 2 1 . . 120.269 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 >> 170 1 1 . . 9.083 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 4 >> 170 2 1 . . 122.294 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 4 >> 170 3 2 . . 53.417 . . 1 1 1 115 LYS CA . . . . . . . . . . 476 . 27700 4 >> 171 1 1 . . 9.083 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 4 >> 171 2 1 . . 122.295 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 4 >> 171 3 2 . . 37.408 . . 1 1 1 115 LYS CB . . . . . . . . . . 477 . 27700 4 >> 172 1 1 . . 9.036 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 4 >> 172 2 1 . . 125.170 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 4 >> 172 3 1 . . 57.284 . . 1 1 1 73 GLU CA . . . . . . . . . . 248 . 27700 4 >> 173 1 1 . . 9.036 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 4 >> 173 2 1 . . 125.173 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 4 >> 173 3 1 . . 30.020 . . 1 1 1 73 GLU CB . . . . . . . . . . 449 . 27700 4 >> 174 1 1 . . 8.625 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 4 >> 174 2 1 . . 121.087 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 4 >> 174 3 1 . . 33.026 . . 1 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 >> 175 1 1 . . 8.625 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 4 >> 175 2 1 . . 121.084 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 4 >> 175 3 1 . . 56.579 . . 1 1 1 37 LYS CA . . . . . . . . . . 365 . 27700 4 >> 176 1 1 . . 8.077 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 4 >> 176 2 1 . . 128.919 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 4 >> 176 3 1 . . 55.635 . . 1 1 1 118 ARG CA . . . . . . . . . . 323 . 27700 4 >> 177 1 1 . . 8.077 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 4 >> 177 2 1 . . 128.919 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 4 >> 177 3 1 . . 31.002 . . 1 1 1 118 ARG CB . . . . . . . . . . 324 . 27700 4 >> 178 1 1 . . 8.587 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 4 >> 178 2 1 . . 120.170 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 4 >> 178 3 2 . . 58.918 . . 1 1 1 67 LEU CA . . . . . . . . . . 378 . 27700 4 >> 179 1 1 . . 8.587 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 4 >> 179 2 1 . . 120.162 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 4 >> 179 3 2 . . 40.635 . . 1 1 1 67 LEU CB . . . . . . . . . . 379 . 27700 4 >> 180 1 1 . . 8.441 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 4 >> 180 2 1 . . 120.979 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 4 >> 180 3 1 . . 38.465 . . 1 1 1 56 ILE CB . . . . . . . . . . 463 . 27700 4 >> 181 1 1 . . 8.441 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 4 >> 181 2 1 . . 120.994 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 4 >> 181 3 1 . . 67.061 . . 1 1 1 56 ILE CA . . . . . . . . . . 464 . 27700 4 >> 182 1 1 . . 8.325 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 4 >> 182 2 1 . . 120.169 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 4 >> 182 3 2 . . 55.055 . . 1 1 1 95 ALA CA . . . . . . . . . . 470 . 27700 4 >> 183 1 1 . . 8.327 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 4 >> 183 2 1 . . 120.173 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 4 >> 183 3 2 . . 18.110 . . 1 1 1 95 ALA CB . . . . . . . . . . 471 . 27700 4 >> 184 1 1 . . 7.608 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 4 >> 184 2 1 . . 122.088 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 4 >> 184 3 2 . . 60.030 . . 1 1 1 94 LYS CA . . . . . . . . . . 229 . 27700 4 >> 185 1 1 . . 7.609 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 4 >> 185 2 1 . . 122.071 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 4 >> 185 3 2 . . 32.156 . . 1 1 1 94 LYS CB . . . . . . . . . . 230 . 27700 4 >> 186 1 1 . . 8.173 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 4 >> 186 2 1 . . 121.028 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 4 >> 186 3 1 . . 18.923 . . 1 1 1 18 ALA CB . . . . . . . . . . 442 . 27700 4 >> 187 1 1 . . 8.173 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 4 >> 187 2 1 . . 121.026 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 4 >> 187 3 2 . . 52.766 . . 1 1 1 18 ALA CA . . . . . . . . . . 525 . 27700 4 >> 188 1 1 . . 8.211 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 4 >> 188 2 1 . . 116.977 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 4 >> 188 3 1 . . 61.554 . . 1 1 1 12 THR CA . . . . . . . . . . 389 . 27700 4 >> 189 1 1 . . 8.211 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 4 >> 189 2 1 . . 116.976 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 4 >> 189 3 1 . . 69.894 . . 1 1 1 12 THR CB . . . . . . . . . . 473 . 27700 4 >> 190 1 1 . . 8.834 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 4 >> 190 2 1 . . 119.999 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 4 >> 190 3 2 . . 57.605 . . 1 1 1 114 PHE CA . . . . . . . . . . 219 . 27700 4 >> 191 1 1 . . 8.834 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 4 >> 191 2 1 . . 119.993 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 4 >> 191 3 2 . . 42.928 . . 1 1 1 114 PHE CB . . . . . . . . . . 220 . 27700 4 >> 192 1 1 . . 8.775 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 4 >> 192 2 1 . . 121.930 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 4 >> 192 3 2 . . 57.236 . . 1 1 1 65 SER CA . . . . . . . . . . 351 . 27700 4 >> 193 1 1 . . 8.775 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 4 >> 193 2 1 . . 121.934 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 4 >> 193 3 2 . . 66.743 . . 1 1 1 65 SER CB . . . . . . . . . . 352 . 27700 4 >> 194 1 1 . . 7.966 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 4 >> 194 2 1 . . 121.001 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 4 >> 194 3 1 . . 65.242 . . 1 1 1 97 VAL CA . . . . . . . . . . 482 . 27700 4 >> 195 1 1 . . 7.967 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 4 >> 195 2 1 . . 121.038 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 4 >> 195 3 1 . . 32.213 . . 1 1 1 97 VAL CB . . . . . . . . . . 548 . 27700 4 >> 196 1 1 . . 7.024 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 4 >> 196 2 1 . . 104.609 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 4 >> 196 3 1 . . 38.441 . . 1 1 1 63 ASN CB . . . . . . . . . . 505 . 27700 4 >> 197 1 1 . . 7.021 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 4 >> 197 2 1 . . 104.580 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 4 >> 197 3 1 . . 51.775 . . 1 1 1 63 ASN CA . . . . . . . . . . 504 . 27700 4 >> 198 1 1 . . 8.033 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 4 >> 198 2 1 . . 120.052 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 4 >> 198 3 1 . . 42.201 . . 1 1 1 89 LEU CB . . . . . . . . . . 415 . 27700 4 >> 199 1 1 . . 8.033 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 4 >> 199 2 1 . . 120.037 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 4 >> 199 3 1 . . 58.317 . . 1 1 1 89 LEU CA . . . . . . . . . . 416 . 27700 4 >> 200 1 1 . . 8.309 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 4 >> 200 2 1 . . 121.937 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 4 >> 200 3 1 . . 38.685 . . 1 1 1 43 ASN CB . . . . . . . . . . 403 . 27700 4 >> 201 1 1 . . 8.309 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 4 >> 201 2 1 . . 121.937 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 4 >> 201 3 1 . . 53.104 . . 1 1 1 43 ASN CA . . . . . . . . . . 492 . 27700 4 >> 202 1 1 . . 7.869 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 4 >> 202 2 1 . . 120.632 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 4 >> 202 3 2 . . 55.821 . . 1 1 1 68 ALA CA . . . . . . . . . . 458 . 27700 4 >> 203 1 1 . . 7.868 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 4 >> 203 2 1 . . 120.624 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 4 >> 203 3 2 . . 18.218 . . 1 1 1 68 ALA CB . . . . . . . . . . 459 . 27700 4 >> 204 1 1 . . 8.482 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 4 >> 204 2 1 . . 109.469 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 4 >> 204 3 2 . . 19.112 . . 1 1 1 24 ALA CB . . . . . . . . . . 313 . 27700 4 >> 205 1 1 . . 8.482 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 4 >> 205 2 1 . . 109.469 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 4 >> 205 3 2 . . 52.634 . . 1 1 1 24 ALA CA . . . . . . . . . . 312 . 27700 4 >> 206 1 1 . . 8.677 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 4 >> 206 2 1 . . 112.665 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 4 >> 206 3 1 . . 70.121 . . 1 1 1 108 THR CB . . . . . . . . . . 350 . 27700 4 >> 207 1 1 . . 8.677 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 4 >> 207 2 1 . . 112.663 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 4 >> 207 3 1 . . 61.298 . . 1 1 1 108 THR CA . . . . . . . . . . 499 . 27700 4 >> 208 1 1 . . 8.698 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 4 >> 208 2 1 . . 115.000 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 4 >> 208 3 1 . . 59.545 . . 1 1 1 62 ARG CA . . . . . . . . . . 503 . 27700 4 >> 209 1 1 . . 8.698 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 4 >> 209 2 1 . . 114.989 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 4 >> 209 3 1 . . 30.092 . . 1 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 4 >> 210 1 1 . . 8.038 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 4 >> 210 2 1 . . 117.069 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 4 >> 210 3 1 . . 42.415 . . 1 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 4 >> 211 1 1 . . 8.038 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 4 >> 211 2 1 . . 117.066 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 4 >> 211 3 1 . . 55.012 . . 1 1 1 30 LEU CA . . . . . . . . . . 512 . 27700 4 >> 212 1 1 . . 8.362 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 4 >> 212 2 1 . . 116.442 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 4 >> 212 3 2 . . 45.142 . . 1 1 1 26 GLY CA . . . . . . . . . . 526 . 27700 4 >> 213 1 1 . . 8.001 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 4 >> 213 2 1 . . 115.666 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 4 >> 213 3 1 . . 29.394 . . 1 1 1 83 GLN CB . . . . . . . . . . 514 . 27700 4 >> 214 1 1 . . 7.999 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 4 >> 214 2 1 . . 115.669 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 4 >> 214 3 1 . . 58.239 . . 1 1 1 83 GLN CA . . . . . . . . . . 406 . 27700 4 >> 215 1 1 . . 8.379 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 4 >> 215 2 1 . . 110.146 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 4 >> 215 3 1 . . 29.909 . . 1 1 1 15 GLU CB . . . . . . . . . . 381 . 27700 4 >> 216 1 1 . . 8.379 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 4 >> 216 2 1 . . 110.144 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 4 >> 216 3 1 . . 57.421 . . 1 1 1 15 GLU CA . . . . . . . . . . 382 . 27700 4 >> 217 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . 386 . 27700 4 >> 217 2 1 . . 118.943 . . 1 . . . . . . . . . . . . . . . 385 . 27700 4 >> 217 3 1 . . 54.744 . . 1 . . . . . . . . . . . . . . . 520 . 27700 4 >> 218 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . 386 . 27700 4 >> 218 2 1 . . 118.948 . . 1 . . . . . . . . . . . . . . . 385 . 27700 4 >> 218 3 1 . . 42.395 . . 1 . . . . . . . . . . . . . . . 521 . 27700 4 >> 220 1 1 . . 6.736 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 4 >> 220 2 1 . . 117.579 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 4 >> 220 3 1 . . 56.700 . . 1 1 1 75 LYS CA . . . . . . . . . . 363 . 27700 4 >> 221 1 1 . . 6.739 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 4 >> 221 2 1 . . 117.562 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 4 >> 221 3 1 . . 30.789 . . 1 1 1 75 LYS CB . . . . . . . . . . 362 . 27700 4 >> 222 1 1 . . 7.675 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 222 2 1 . . 114.259 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 222 3 1 . . 28.255 . . 1 1 1 98 GLN CB . . . . . . . . . . 483 . 27700 4 >> 223 1 1 . . 7.678 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 >> 223 2 1 . . 114.259 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 >> 223 3 1 . . 58.859 . . 1 1 1 98 GLN CA . . . . . . . . . . 484 . 27700 4 >> 224 1 1 . . 9.241 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 4 >> 224 2 1 . . 128.485 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 4 >> 224 3 2 . . 57.783 . . 1 1 1 61 GLU CA . . . . . . . . . . 281 . 27700 4 >> 225 1 1 . . 9.253 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 4 >> 225 2 1 . . 128.482 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 4 >> 225 3 1 . . 30.183 . . 1 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 4 >> 226 1 1 . . 8.364 . . 1 1 1 107 GLY H . . . . . . . . . . 552 . 27700 4 >> 226 2 1 . . 110.324 . . 1 1 1 107 GLY N . . . . . . . . . . 553 . 27700 4 >> 226 3 1 . . 32.973 . . 1 1 1 106 LYS CB . . . . . . . . . . 555 . 27700 4 >> 227 1 1 . . 8.186 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 4 >> 227 2 1 . . 122.341 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 4 >> 227 3 1 . . 52.088 . . 1 1 1 29 ALA CA . . . . . . . . . . 528 . 27700 4 >> 228 1 1 . . 8.186 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 4 >> 228 2 1 . . 122.341 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 4 >> 228 3 1 . . 19.181 . . 1 1 1 29 ALA CB . . . . . . . . . . 529 . 27700 4 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNCACO (H[N[ca[CO]]])' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $NGH1x_low_ionic_strength _Sample_conditions_label $CondSet15 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 >> _Spectral_peak_list.Entry_ID 27700 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength >> _Spectral_peak_list.Sample_condition_list_ID 5 >> _Spectral_peak_list.Sample_condition_list_label $CondSet15 >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name 'HNCACO (H[N[ca[CO]]])' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 5180.54496951 . . . . . . . 27700 5 >> 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 5 >> 3 . . C 13 13C . . 3584.22939068 . . . . . . . 27700 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27700 5 >> 2 1.0 . . 27700 5 >> 3 1.0 . . 27700 5 >> 4 1.0 . . 27700 5 >> 5 1.0 . . 27700 5 >> 6 1.0 . . 27700 5 >> 7 1.0 . . 27700 5 >> 8 1.0 . . 27700 5 >> 9 1.0 . . 27700 5 >> 10 1.0 . . 27700 5 >> 11 1.0 . . 27700 5 >> 12 1.0 . . 27700 5 >> 13 1.0 . . 27700 5 >> 14 1.0 . . 27700 5 >> 15 1.0 . . 27700 5 >> 16 1.0 . . 27700 5 >> 17 1.0 . . 27700 5 >> 18 1.0 . . 27700 5 >> 19 1.0 . . 27700 5 >> 20 1.0 . . 27700 5 >> 21 1.0 . . 27700 5 >> 22 1.0 . . 27700 5 >> 23 1.0 . . 27700 5 >> 24 1.0 . . 27700 5 >> 25 1.0 . . 27700 5 >> 26 1.0 . . 27700 5 >> 27 1.0 . . 27700 5 >> 28 1.0 . . 27700 5 >> 29 1.0 . . 27700 5 >> 30 1.0 . . 27700 5 >> 31 1.0 . . 27700 5 >> 32 1.0 . . 27700 5 >> 33 1.0 . . 27700 5 >> 34 1.0 . . 27700 5 >> 35 1.0 . . 27700 5 >> 36 1.0 . . 27700 5 >> 37 1.0 . . 27700 5 >> 38 1.0 . . 27700 5 >> 39 1.0 . . 27700 5 >> 40 1.0 . . 27700 5 >> 41 1.0 . . 27700 5 >> 42 1.0 . . 27700 5 >> 43 1.0 . . 27700 5 >> 44 1.0 . . 27700 5 >> 45 1.0 . . 27700 5 >> 46 1.0 . . 27700 5 >> 47 1.0 . . 27700 5 >> 48 1.0 . . 27700 5 >> 49 1.0 . . 27700 5 >> 50 1.0 . . 27700 5 >> 51 1.0 . . 27700 5 >> 52 1.0 . . 27700 5 >> 53 1.0 . . 27700 5 >> 54 1.0 . . 27700 5 >> 55 1.0 . . 27700 5 >> 56 1.0 . . 27700 5 >> 57 1.0 . . 27700 5 >> 58 1.0 . . 27700 5 >> 59 1.0 . . 27700 5 >> 60 1.0 . . 27700 5 >> 61 1.0 . . 27700 5 >> 62 1.0 . . 27700 5 >> 63 1.0 . . 27700 5 >> 64 1.0 . . 27700 5 >> 65 1.0 . . 27700 5 >> 66 1.0 . . 27700 5 >> 67 1.0 . . 27700 5 >> 68 1.0 . . 27700 5 >> 69 1.0 . . 27700 5 >> 70 1.0 . . 27700 5 >> 71 1.0 . . 27700 5 >> 72 1.0 . . 27700 5 >> 73 1.0 . . 27700 5 >> 74 1.0 . . 27700 5 >> 75 1.0 . . 27700 5 >> 76 1.0 . . 27700 5 >> 77 1.0 . . 27700 5 >> 78 1.0 . . 27700 5 >> 79 1.0 . . 27700 5 >> 80 1.0 . . 27700 5 >> 81 1.0 . . 27700 5 >> 82 1.0 . . 27700 5 >> 83 1.0 . . 27700 5 >> 84 1.0 . . 27700 5 >> 85 1.0 . . 27700 5 >> 86 1.0 . . 27700 5 >> 87 1.0 . . 27700 5 >> 88 1.0 . . 27700 5 >> 89 1.0 . . 27700 5 >> 90 1.0 . . 27700 5 >> 91 1.0 . . 27700 5 >> 92 1.0 . . 27700 5 >> 93 1.0 . . 27700 5 >> 94 1.0 . . 27700 5 >> 95 1.0 . . 27700 5 >> 96 1.0 . . 27700 5 >> 97 1.0 . . 27700 5 >> 98 1.0 . . 27700 5 >> 99 1.0 . . 27700 5 >> 100 1.0 . . 27700 5 >> 101 1.0 . . 27700 5 >> 102 1.0 . . 27700 5 >> 103 1.0 . . 27700 5 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 56402.0 . height 27700 5 >> 1 756479.0 . volume 27700 5 >> 2 72009.5 . height 27700 5 >> 2 1022846.0 . volume 27700 5 >> 3 86258.0 . height 27700 5 >> 3 1265306.5 . volume 27700 5 >> 4 159715.5 . height 27700 5 >> 4 2291135.5 . volume 27700 5 >> 5 857164.5 . height 27700 5 >> 5 13230299.0 . volume 27700 5 >> 6 3392116.5 . height 27700 5 >> 6 37526948.0 . volume 27700 5 >> 7 259561.5 . height 27700 5 >> 7 3434113.0 . volume 27700 5 >> 8 67410.0 . height 27700 5 >> 8 1027345.5 . volume 27700 5 >> 9 69228.5 . height 27700 5 >> 9 1043548.0 . volume 27700 5 >> 10 141596.0 . height 27700 5 >> 10 2066336.0 . volume 27700 5 >> 11 3129236.5 . height 27700 5 >> 11 34441431.0 . volume 27700 5 >> 12 54553.5 . height 27700 5 >> 12 840525.5 . volume 27700 5 >> 13 188391.0 . height 27700 5 >> 13 2594674.5 . volume 27700 5 >> 14 198178.5 . height 27700 5 >> 14 2642995.0 . volume 27700 5 >> 15 151974.5 . height 27700 5 >> 15 2178508.5 . volume 27700 5 >> 16 575619.0 . height 27700 5 >> 16 7430309.5 . volume 27700 5 >> 17 3446722.0 . height 27700 5 >> 17 36517365.5 . volume 27700 5 >> 18 63609.5 . height 27700 5 >> 18 1031003.5 . volume 27700 5 >> 19 176574.0 . height 27700 5 >> 19 2556935.5 . volume 27700 5 >> 20 2661370.0 . height 27700 5 >> 20 31051138.0 . volume 27700 5 >> 21 125947.0 . height 27700 5 >> 21 1787983.0 . volume 27700 5 >> 22 253217.0 . height 27700 5 >> 22 3365515.0 . volume 27700 5 >> 23 206507.0 . height 27700 5 >> 23 3121696.0 . volume 27700 5 >> 24 48617.0 . height 27700 5 >> 24 774878.5 . volume 27700 5 >> 25 2223141.0 . height 27700 5 >> 25 23551958.5 . volume 27700 5 >> 26 3690835.5 . height 27700 5 >> 26 40800367.5 . volume 27700 5 >> 27 2494327.5 . height 27700 5 >> 27 32080543.0 . volume 27700 5 >> 28 115439.0 . height 27700 5 >> 28 1697422.5 . volume 27700 5 >> 29 4136874.0 . height 27700 5 >> 29 44120144.5 . volume 27700 5 >> 30 127073.5 . height 27700 5 >> 30 1804205.5 . volume 27700 5 >> 31 102711.5 . height 27700 5 >> 31 1468830.0 . volume 27700 5 >> 32 128616.5 . height 27700 5 >> 32 1758692.0 . volume 27700 5 >> 33 82653.0 . height 27700 5 >> 33 1188232.0 . volume 27700 5 >> 34 152452.0 . height 27700 5 >> 34 2123710.0 . volume 27700 5 >> 35 137029.5 . height 27700 5 >> 35 1926902.0 . volume 27700 5 >> 36 137669.5 . height 27700 5 >> 36 1919752.5 . volume 27700 5 >> 37 753171.5 . height 27700 5 >> 37 10849059.0 . volume 27700 5 >> 38 191424.5 . height 27700 5 >> 38 2381012.5 . volume 27700 5 >> 39 3460668.0 . height 27700 5 >> 39 36400871.0 . volume 27700 5 >> 40 3405515.5 . height 27700 5 >> 40 39077413.0 . volume 27700 5 >> 41 1821911.0 . height 27700 5 >> 41 18840052.0 . volume 27700 5 >> 42 2442630.5 . height 27700 5 >> 42 30651826.5 . volume 27700 5 >> 43 1976667.5 . height 27700 5 >> 43 21132855.5 . volume 27700 5 >> 44 2968868.5 . height 27700 5 >> 44 33049117.0 . volume 27700 5 >> 45 369006.5 . height 27700 5 >> 45 4937765.0 . volume 27700 5 >> 46 100571.5 . height 27700 5 >> 46 1409480.5 . volume 27700 5 >> 47 544951.0 . height 27700 5 >> 47 7225218.0 . volume 27700 5 >> 48 2651471.0 . height 27700 5 >> 48 34690441.0 . volume 27700 5 >> 49 3035656.5 . height 27700 5 >> 49 34198919.5 . volume 27700 5 >> 50 117828.5 . height 27700 5 >> 50 1741164.0 . volume 27700 5 >> 51 2893726.5 . height 27700 5 >> 51 30532322.5 . volume 27700 5 >> 52 123116.0 . height 27700 5 >> 52 1747441.5 . volume 27700 5 >> 53 1448956.5 . height 27700 5 >> 53 17284277.0 . volume 27700 5 >> 54 120555.0 . height 27700 5 >> 54 1843810.0 . volume 27700 5 >> 55 3845372.5 . height 27700 5 >> 55 40885226.0 . volume 27700 5 >> 56 129704.5 . height 27700 5 >> 56 1844555.5 . volume 27700 5 >> 57 150671.0 . height 27700 5 >> 57 2041774.0 . volume 27700 5 >> 58 499508.0 . height 27700 5 >> 58 5839579.0 . volume 27700 5 >> 59 3413883.5 . height 27700 5 >> 59 34836127.0 . volume 27700 5 >> 60 179276.5 . height 27700 5 >> 60 2449220.0 . volume 27700 5 >> 61 211495.0 . height 27700 5 >> 61 3064343.5 . volume 27700 5 >> 62 2960726.0 . height 27700 5 >> 62 36074811.0 . volume 27700 5 >> 63 2021542.5 . height 27700 5 >> 63 23561956.0 . volume 27700 5 >> 64 140342.0 . height 27700 5 >> 64 1992058.5 . volume 27700 5 >> 65 126506.0 . height 27700 5 >> 65 1747097.5 . volume 27700 5 >> 66 311549.0 . height 27700 5 >> 66 4264600.0 . volume 27700 5 >> 67 159986.5 . height 27700 5 >> 67 2326811.0 . volume 27700 5 >> 68 1890354.5 . height 27700 5 >> 68 19711269.5 . volume 27700 5 >> 69 259602.0 . height 27700 5 >> 69 3402583.0 . volume 27700 5 >> 70 72887.5 . height 27700 5 >> 70 1065463.0 . volume 27700 5 >> 71 76860.0 . height 27700 5 >> 71 1018247.0 . volume 27700 5 >> 72 776471.0 . height 27700 5 >> 72 10274037.0 . volume 27700 5 >> 73 167795.0 . height 27700 5 >> 73 2383474.5 . volume 27700 5 >> 74 77465.5 . height 27700 5 >> 74 1113995.5 . volume 27700 5 >> 75 1558697.5 . height 27700 5 >> 75 19149889.5 . volume 27700 5 >> 76 1068071.5 . height 27700 5 >> 76 12498058.5 . volume 27700 5 >> 77 1939722.5 . height 27700 5 >> 77 23178199.0 . volume 27700 5 >> 78 139802.0 . height 27700 5 >> 78 1292961.5 . volume 27700 5 >> 79 1609263.0 . height 27700 5 >> 79 23526543.5 . volume 27700 5 >> 80 136269.5 . height 27700 5 >> 80 1984120.0 . volume 27700 5 >> 81 125872.0 . height 27700 5 >> 81 1749468.5 . volume 27700 5 >> 82 82816.5 . height 27700 5 >> 82 1301372.0 . volume 27700 5 >> 83 61568.0 . height 27700 5 >> 83 855140.0 . volume 27700 5 >> 84 56605.5 . height 27700 5 >> 84 812459.0 . volume 27700 5 >> 85 100869.5 . height 27700 5 >> 85 1586178.5 . volume 27700 5 >> 86 75595.5 . height 27700 5 >> 86 1023866.5 . volume 27700 5 >> 87 38086.5 . height 27700 5 >> 87 594422.5 . volume 27700 5 >> 88 45075.0 . height 27700 5 >> 88 548730.0 . volume 27700 5 >> 89 161791.0 . height 27700 5 >> 89 2336437.0 . volume 27700 5 >> 90 41381.0 . height 27700 5 >> 90 652678.5 . volume 27700 5 >> 91 46225.5 . height 27700 5 >> 91 763476.5 . volume 27700 5 >> 92 63969.5 . height 27700 5 >> 92 1014044.0 . volume 27700 5 >> 93 83464.0 . height 27700 5 >> 93 1232246.5 . volume 27700 5 >> 94 79204.0 . height 27700 5 >> 94 1233507.0 . volume 27700 5 >> 95 170664.5 . height 27700 5 >> 95 2344747.5 . volume 27700 5 >> 96 1859971.0 . height 27700 5 >> 96 23354856.5 . volume 27700 5 >> 97 86166.0 . height 27700 5 >> 97 1196254.0 . volume 27700 5 >> 98 35221.5 . height 27700 5 >> 98 586393.5 . volume 27700 5 >> 99 26304.0 . height 27700 5 >> 99 464519.5 . volume 27700 5 >> 100 40196.5 . height 27700 5 >> 100 760803.5 . volume 27700 5 >> 101 3951114.0 . height 27700 5 >> 101 47176050.0 . volume 27700 5 >> 102 1666065.5 . height 27700 5 >> 102 20122908.5 . volume 27700 5 >> 103 41340.0 . height 27700 5 >> 103 547639.5 . volume 27700 5 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.411 . 24.8531947230 . . . . . . . . . . . 27700 5 >> 1 2 120.000 . 24.8397450307 . . . . . . . . . . . 27700 5 >> 1 3 174.079 . 34.8180852911 . . . . . . . . . . . 27700 5 >> 2 1 7.722 . 27.2353929354 . . . . . . . . . . . 27700 5 >> 2 2 119.929 . 24.4035567940 . . . . . . . . . . . 27700 5 >> 2 3 174.898 . 38.6039415995 . . . . . . . . . . . 27700 5 >> 3 1 7.566 . 28.5339064714 . . . . . . . . . . . 27700 5 >> 3 2 118.910 . 24.7772479594 . . . . . . . . . . . 27700 5 >> 3 3 177.647 . 43.4577678694 . . . . . . . . . . . 27700 5 >> 4 1 7.470 . 25.8496530899 . . . . . . . . . . . 27700 5 >> 4 2 117.833 . 23.5126722348 . . . . . . . . . . . 27700 5 >> 4 3 179.323 . 43.3553290624 . . . . . . . . . . . 27700 5 >> 5 1 8.426 . 24.8228699514 . . . . . . . . . . . 27700 5 >> 5 2 124.056 . 52.0413800652 . . . . . . . . . . . 27700 5 >> 5 3 176.718 . 37.3720054558 . . . . . . . . . . . 27700 5 >> 6 1 8.416 . 21.6924335535 . . . . . . . . . . . 27700 5 >> 6 2 126.803 . 21.5898973277 . . . . . . . . . . . 27700 5 >> 6 3 177.548 . 32.5095268988 . . . . . . . . . . . 27700 5 >> 7 1 7.364 . 24.7709089663 . . . . . . . . . . . 27700 5 >> 7 2 120.652 . 24.1445296765 . . . . . . . . . . . 27700 5 >> 7 3 177.183 . 38.0540406832 . . . . . . . . . . . 27700 5 >> 8 1 9.101 . 26.8871691532 . . . . . . . . . . . 27700 5 >> 8 2 119.828 . 24.3546610137 . . . . . . . . . . . 27700 5 >> 8 3 175.619 . 47.0148192512 . . . . . . . . . . . 27700 5 >> 9 1 9.148 . 24.5887899726 . . . . . . . . . . . 27700 5 >> 9 2 125.998 . 27.9502225432 . . . . . . . . . . . 27700 5 >> 9 3 178.356 . 41.8363719858 . . . . . . . . . . . 27700 5 >> 10 1 7.237 . 28.5645719708 . . . . . . . . . . . 27700 5 >> 10 2 117.751 . 25.5170548878 . . . . . . . . . . . 27700 5 >> 10 3 178.725 . 39.9245369819 . . . . . . . . . . . 27700 5 >> 11 1 8.508 . 22.0777966627 . . . . . . . . . . . 27700 5 >> 11 2 126.703 . 20.9561460353 . . . . . . . . . . . 27700 5 >> 11 3 178.469 . 32.7232704368 . . . . . . . . . . . 27700 5 >> 12 1 7.750 . 26.8800138700 . . . . . . . . . . . 27700 5 >> 12 2 114.496 . 26.1833459776 . . . . . . . . . . . 27700 5 >> 12 3 172.290 . 43.5976999208 . . . . . . . . . . . 27700 5 >> 13 1 8.201 . 23.9816130843 . . . . . . . . . . . 27700 5 >> 13 2 119.569 . 23.2891117748 . . . . . . . . . . . 27700 5 >> 13 3 178.853 . 46.2142156444 . . . . . . . . . . . 27700 5 >> 14 1 7.808 . 25.8193283183 . . . . . . . . . . . 27700 5 >> 14 2 113.497 . 24.1545154345 . . . . . . . . . . . 27700 5 >> 14 3 175.787 . 38.3050638288 . . . . . . . . . . . 27700 5 >> 15 1 8.578 . 27.0929687270 . . . . . . . . . . . 27700 5 >> 15 2 117.659 . 25.0026161859 . . . . . . . . . . . 27700 5 >> 15 3 179.576 . 42.3836024431 . . . . . . . . . . . 27700 5 >> 16 1 8.420 . 23.0141165780 . . . . . . . . . . . 27700 5 >> 16 2 116.566 . 23.3427421817 . . . . . . . . . . . 27700 5 >> 16 3 174.926 . 36.2921786565 . . . . . . . . . . . 27700 5 >> 17 1 8.360 . 20.6642875039 . . . . . . . . . . . 27700 5 >> 17 2 126.464 . 20.3457665815 . . . . . . . . . . . 27700 5 >> 17 3 177.411 . 32.4317631328 . . . . . . . . . . . 27700 5 >> 18 1 7.938 . 25.8970142501 . . . . . . . . . . . 27700 5 >> 18 2 114.441 . 23.6753712218 . . . . . . . . . . . 27700 5 >> 18 3 175.259 . 85.8153066328 . . . . . . . . . . . 27700 5 >> 19 1 8.646 . 26.0731705078 . . . . . . . . . . . 27700 5 >> 19 2 119.122 . 24.8690997156 . . . . . . . . . . . 27700 5 >> 19 3 179.264 . 40.4900333787 . . . . . . . . . . . 27700 5 >> 20 1 8.302 . 20.5549138893 . . . . . . . . . . . 27700 5 >> 20 2 123.965 . 23.8693187445 . . . . . . . . . . . 27700 5 >> 20 3 175.321 . 30.4148188629 . . . . . . . . . . . 27700 5 >> 21 1 8.803 . 29.1502830095 . . . . . . . . . . . 27700 5 >> 21 2 126.121 . 25.7897263383 . . . . . . . . . . . 27700 5 >> 21 3 177.675 . 38.4596299954 . . . . . . . . . . . 27700 5 >> 22 1 7.679 . 25.6922368596 . . . . . . . . . . . 27700 5 >> 22 2 114.372 . 23.7413116579 . . . . . . . . . . . 27700 5 >> 22 3 175.254 . 39.7289525651 . . . . . . . . . . . 27700 5 >> 23 1 7.679 . 26.0459122861 . . . . . . . . . . . 27700 5 >> 23 2 114.239 . 26.5772669113 . . . . . . . . . . . 27700 5 >> 23 3 175.247 . 39.6261933029 . . . . . . . . . . . 27700 5 >> 24 1 8.806 . 24.5755015895 . . . . . . . . . . . 27700 5 >> 24 2 119.066 . 26.6122170641 . . . . . . . . . . . 27700 5 >> 24 3 175.452 . 50.9602621892 . . . . . . . . . . . 27700 5 >> 25 1 8.310 . 22.4042138675 . . . . . . . . . . . 27700 5 >> 25 2 109.371 . 18.4438670735 . . . . . . . . . . . 27700 5 >> 25 3 174.340 . 33.2343962885 . . . . . . . . . . . 27700 5 >> 26 1 8.485 . 21.8842632887 . . . . . . . . . . . 27700 5 >> 26 2 126.811 . 20.8604635358 . . . . . . . . . . . 27700 5 >> 26 3 178.286 . 33.0170209263 . . . . . . . . . . . 27700 5 >> 27 1 8.465 . 22.0973885096 . . . . . . . . . . . 27700 5 >> 27 2 125.477 . 23.9047854020 . . . . . . . . . . . 27700 5 >> 27 3 176.230 . 34.9369741255 . . . . . . . . . . . 27700 5 >> 28 1 8.406 . 27.6139414892 . . . . . . . . . . . 27700 5 >> 28 2 117.743 . 25.8710327898 . . . . . . . . . . . 27700 5 >> 28 3 174.602 . 41.1998413797 . . . . . . . . . . . 27700 5 >> 29 1 8.604 . 20.5225447511 . . . . . . . . . . . 27700 5 >> 29 2 125.277 . 21.7303005276 . . . . . . . . . . . 27700 5 >> 29 3 176.359 . 30.9437833807 . . . . . . . . . . . 27700 5 >> 30 1 7.177 . 27.4568659867 . . . . . . . . . . . 27700 5 >> 30 2 125.083 . 25.0077812331 . . . . . . . . . . . 27700 5 >> 30 3 175.010 . 40.5723903342 . . . . . . . . . . . 27700 5 >> 31 1 8.149 . 25.1886412138 . . . . . . . . . . . 27700 5 >> 31 2 118.901 . 26.0080787090 . . . . . . . . . . . 27700 5 >> 31 3 179.466 . 39.2630108796 . . . . . . . . . . . 27700 5 >> 32 1 8.042 . 25.4203360982 . . . . . . . . . . . 27700 5 >> 32 2 111.903 . 25.5952192689 . . . . . . . . . . . 27700 5 >> 32 3 175.248 . 36.2201830820 . . . . . . . . . . . 27700 5 >> 33 1 8.568 . 29.2243912998 . . . . . . . . . . . 27700 5 >> 33 2 127.696 . 24.0402387650 . . . . . . . . . . . 27700 5 >> 33 3 175.633 . 39.7849253856 . . . . . . . . . . . 27700 5 >> 34 1 7.304 . 24.2659504094 . . . . . . . . . . . 27700 5 >> 34 2 111.393 . 24.6083509158 . . . . . . . . . . . 27700 5 >> 34 3 176.014 . 42.1373861238 . . . . . . . . . . . 27700 5 >> 35 1 8.213 . 26.7747289887 . . . . . . . . . . . 27700 5 >> 35 2 108.074 . 23.1666140719 . . . . . . . . . . . 27700 5 >> 35 3 172.785 . 45.4110483969 . . . . . . . . . . . 27700 5 >> 36 1 8.985 . 24.4439806698 . . . . . . . . . . . 27700 5 >> 36 2 125.017 . 24.7576207801 . . . . . . . . . . . 27700 5 >> 36 3 175.249 . 37.6532581972 . . . . . . . . . . . 27700 5 >> 37 1 8.442 . 24.0989938015 . . . . . . . . . . . 27700 5 >> 37 2 123.485 . 25.0780258752 . . . . . . . . . . . 27700 5 >> 37 3 176.292 . 40.0883963458 . . . . . . . . . . . 27700 5 >> 38 1 8.176 . 27.2798579095 . . . . . . . . . . . 27700 5 >> 38 2 121.926 . 21.5129381243 . . . . . . . . . . . 27700 5 >> 38 3 174.772 . 36.7196657324 . . . . . . . . . . . 27700 5 >> 39 1 8.460 . 20.0514886074 . . . . . . . . . . . 27700 5 >> 39 2 120.507 . 19.1714500568 . . . . . . . . . . . 27700 5 >> 39 3 177.584 . 32.8915093535 . . . . . . . . . . . 27700 5 >> 40 1 8.307 . 21.2569834619 . . . . . . . . . . . 27700 5 >> 40 2 123.301 . 21.0640955219 . . . . . . . . . . . 27700 5 >> 40 3 176.383 . 38.9870990562 . . . . . . . . . . . 27700 5 >> 41 1 8.345 . 22.2985882585 . . . . . . . . . . . 27700 5 >> 41 2 118.848 . 20.0772271688 . . . . . . . . . . . 27700 5 >> 41 3 174.678 . 30.9504061190 . . . . . . . . . . . 27700 5 >> 42 1 8.375 . 22.2771224089 . . . . . . . . . . . 27700 5 >> 42 2 121.610 . 23.7815990261 . . . . . . . . . . . 27700 5 >> 42 3 176.673 . 40.3468967766 . . . . . . . . . . . 27700 5 >> 43 1 8.386 . 22.4904179936 . . . . . . . . . . . 27700 5 >> 43 2 120.506 . 19.7923748153 . . . . . . . . . . . 27700 5 >> 43 3 174.325 . 31.6838209774 . . . . . . . . . . . 27700 5 >> 44 1 8.425 . 20.1770467911 . . . . . . . . . . . 27700 5 >> 44 2 123.108 . 22.7524633700 . . . . . . . . . . . 27700 5 >> 44 3 175.844 . 32.3827335057 . . . . . . . . . . . 27700 5 >> 45 1 8.504 . 28.1602984703 . . . . . . . . . . . 27700 5 >> 45 2 120.484 . 22.5738388207 . . . . . . . . . . . 27700 5 >> 45 3 174.687 . 42.0172154690 . . . . . . . . . . . 27700 5 >> 46 1 8.460 . 25.1731381002 . . . . . . . . . . . 27700 5 >> 46 2 123.067 . 24.9828168383 . . . . . . . . . . . 27700 5 >> 46 3 180.628 . 40.2280613513 . . . . . . . . . . . 27700 5 >> 47 1 8.122 . 25.2644531429 . . . . . . . . . . . 27700 5 >> 47 2 116.322 . 23.2079344495 . . . . . . . . . . . 27700 5 >> 47 3 174.732 . 40.0872213439 . . . . . . . . . . . 27700 5 >> 48 1 8.409 . 20.5194782011 . . . . . . . . . . . 27700 5 >> 48 2 122.804 . 25.7533557976 . . . . . . . . . . . 27700 5 >> 48 3 176.344 . 31.5373730061 . . . . . . . . . . . 27700 5 >> 49 1 8.075 . 22.0398055162 . . . . . . . . . . . 27700 5 >> 49 2 120.386 . 18.7950041995 . . . . . . . . . . . 27700 5 >> 49 3 176.455 . 35.3246179533 . . . . . . . . . . . 27700 5 >> 50 1 8.974 . 27.2253414661 . . . . . . . . . . . 27700 5 >> 50 2 122.462 . 25.8181771400 . . . . . . . . . . . 27700 5 >> 50 3 178.020 . 43.9221072795 . . . . . . . . . . . 27700 5 >> 51 1 8.329 . 20.5484400617 . . . . . . . . . . . 27700 5 >> 51 2 124.015 . 19.5565904103 . . . . . . . . . . . 27700 5 >> 51 3 177.304 . 32.4929700530 . . . . . . . . . . . 27700 5 >> 52 1 7.431 . 24.9228735523 . . . . . . . . . . . 27700 5 >> 52 2 121.346 . 24.4348053296 . . . . . . . . . . . 27700 5 >> 52 3 180.412 . 43.6722591359 . . . . . . . . . . . 27700 5 >> 53 1 8.386 . 23.9294817353 . . . . . . . . . . . 27700 5 >> 53 2 124.461 . 21.9259697326 . . . . . . . . . . . 27700 5 >> 53 3 176.622 . 34.0902249873 . . . . . . . . . . . 27700 5 >> 54 1 7.898 . 26.8827396922 . . . . . . . . . . . 27700 5 >> 54 2 121.151 . 25.1714271455 . . . . . . . . . . . 27700 5 >> 54 3 177.783 . 42.2991091205 . . . . . . . . . . . 27700 5 >> 55 1 8.193 . 21.2557909147 . . . . . . . . . . . 27700 5 >> 55 2 125.079 . 19.6070357047 . . . . . . . . . . . 27700 5 >> 55 3 177.893 . 33.8991269416 . . . . . . . . . . . 27700 5 >> 56 1 9.083 . 24.8831787669 . . . . . . . . . . . 27700 5 >> 56 2 122.289 . 23.9194197024 . . . . . . . . . . . 27700 5 >> 56 3 177.162 . 41.4580213554 . . . . . . . . . . . 27700 5 >> 57 1 9.036 . 26.2932806480 . . . . . . . . . . . 27700 5 >> 57 2 125.172 . 23.4458709576 . . . . . . . . . . . 27700 5 >> 57 3 177.231 . 41.5654806253 . . . . . . . . . . . 27700 5 >> 58 1 8.626 . 26.1776035697 . . . . . . . . . . . 27700 5 >> 58 2 121.084 . 20.5862425711 . . . . . . . . . . . 27700 5 >> 58 3 175.368 . 35.6839549157 . . . . . . . . . . . 27700 5 >> 59 1 8.077 . 20.8702574416 . . . . . . . . . . . 27700 5 >> 59 2 128.919 . 20.5806471033 . . . . . . . . . . . 27700 5 >> 59 3 181.479 . 30.2489833593 . . . . . . . . . . . 27700 5 >> 60 1 8.588 . 24.7675016886 . . . . . . . . . . . 27700 5 >> 60 2 120.163 . 24.2750332026 . . . . . . . . . . . 27700 5 >> 60 3 180.248 . 41.9899233780 . . . . . . . . . . . 27700 5 >> 61 1 7.608 . 24.6465433298 . . . . . . . . . . . 27700 5 >> 61 2 122.078 . 25.0856012777 . . . . . . . . . . . 27700 5 >> 61 3 180.238 . 42.3423705563 . . . . . . . . . . . 27700 5 >> 62 1 8.173 . 21.0307402218 . . . . . . . . . . . 27700 5 >> 62 2 121.024 . 23.8694048286 . . . . . . . . . . . 27700 5 >> 62 3 176.650 . 32.6239293621 . . . . . . . . . . . 27700 5 >> 63 1 8.211 . 21.6944779201 . . . . . . . . . . . 27700 5 >> 63 2 116.977 . 19.3646228224 . . . . . . . . . . . 27700 5 >> 63 3 174.556 . 43.7237455853 . . . . . . . . . . . 27700 5 >> 64 1 8.833 . 28.0270739118 . . . . . . . . . . . 27700 5 >> 64 2 119.999 . 25.0341229739 . . . . . . . . . . . 27700 5 >> 64 3 175.618 . 41.4126235524 . . . . . . . . . . . 27700 5 >> 65 1 8.033 . 26.2493267655 . . . . . . . . . . . 27700 5 >> 65 2 120.052 . 24.1298953761 . . . . . . . . . . . 27700 5 >> 65 3 179.225 . 39.0425377849 . . . . . . . . . . . 27700 5 >> 66 1 8.309 . 25.9195022830 . . . . . . . . . . . 27700 5 >> 66 2 121.934 . 25.0246537207 . . . . . . . . . . . 27700 5 >> 66 3 173.749 . 35.2680042226 . . . . . . . . . . . 27700 5 >> 67 1 7.868 . 25.3869447766 . . . . . . . . . . . 27700 5 >> 67 2 120.634 . 24.6309910394 . . . . . . . . . . . 27700 5 >> 67 3 179.145 . 44.5048014323 . . . . . . . . . . . 27700 5 >> 68 1 8.482 . 22.2520789177 . . . . . . . . . . . 27700 5 >> 68 2 109.472 . 20.1953345816 . . . . . . . . . . . 27700 5 >> 68 3 174.790 . 31.5379070979 . . . . . . . . . . . 27700 5 >> 69 1 8.678 . 27.7861793775 . . . . . . . . . . . 27700 5 >> 69 2 112.662 . 22.9600121836 . . . . . . . . . . . 27700 5 >> 69 3 174.620 . 39.7885572099 . . . . . . . . . . . 27700 5 >> 70 1 8.698 . 31.3231040065 . . . . . . . . . . . 27700 5 >> 70 2 114.984 . 25.3631364810 . . . . . . . . . . . 27700 5 >> 70 3 174.835 . 39.5937205216 . . . . . . . . . . . 27700 5 >> 71 1 8.038 . 20.8315848396 . . . . . . . . . . . 27700 5 >> 71 2 117.060 . 25.1851145206 . . . . . . . . . . . 27700 5 >> 71 3 172.751 . 36.7329112091 . . . . . . . . . . . 27700 5 >> 72 1 8.362 . 23.0839657711 . . . . . . . . . . . 27700 5 >> 72 2 116.445 . 23.2728418761 . . . . . . . . . . . 27700 5 >> 72 3 174.569 . 42.7933576714 . . . . . . . . . . . 27700 5 >> 73 1 8.184 . 21.5472835230 . . . . . . . . . . . 27700 5 >> 73 2 122.303 . 29.5259062780 . . . . . . . . . . . 27700 5 >> 73 3 176.555 . 35.9213053112 . . . . . . . . . . . 27700 5 >> 74 1 7.999 . 25.7039919677 . . . . . . . . . . . 27700 5 >> 74 2 115.673 . 24.9668051920 . . . . . . . . . . . 27700 5 >> 74 3 174.844 . 44.8583702033 . . . . . . . . . . . 27700 5 >> 75 1 8.380 . 22.7110392255 . . . . . . . . . . . 27700 5 >> 75 2 110.144 . 23.0466128084 . . . . . . . . . . . 27700 5 >> 75 3 174.752 . 34.0272021550 . . . . . . . . . . . 27700 5 >> 76 1 8.346 . 21.9193582491 . . . . . . . . . . . 27700 5 >> 76 2 118.949 . 22.4170796379 . . . . . . . . . . . 27700 5 >> 76 3 172.746 . 32.3279356871 . . . . . . . . . . . 27700 5 >> 77 1 8.431 . 22.7871918824 . . . . . . . . . . . 27700 5 >> 77 2 123.777 . 21.8410907902 . . . . . . . . . . . 27700 5 >> 77 3 176.486 . 35.4640159128 . . . . . . . . . . . 27700 5 >> 78 1 8.189 . 21.8236137454 . . . . . . . . . . . 27700 5 >> 78 2 123.629 . 16.8444241216 . . . . . . . . . . . 27700 5 >> 78 3 177.625 . 33.5770695868 . . . . . . . . . . . 27700 5 >> 79 1 8.327 . 24.1685022668 . . . . . . . . . . . 27700 5 >> 79 2 123.477 . 25.0855151936 . . . . . . . . . . . 27700 5 >> 79 3 176.693 . 41.4730827441 . . . . . . . . . . . 27700 5 >> 80 1 8.442 . 24.6630686267 . . . . . . . . . . . 27700 5 >> 80 2 120.993 . 26.7756047241 . . . . . . . . . . . 27700 5 >> 80 3 178.580 . 37.9695473606 . . . . . . . . . . . 27700 5 >> 81 1 7.488 . 24.6267811191 . . . . . . . . . . . 27700 5 >> 81 2 105.024 . 25.3591766115 . . . . . . . . . . . 27700 5 >> 81 3 175.088 . 37.6408672675 . . . . . . . . . . . 27700 5 >> 82 1 7.025 . 28.7104034569 . . . . . . . . . . . 27700 5 >> 82 2 104.621 . 26.9550040304 . . . . . . . . . . . 27700 5 >> 82 3 171.964 . 39.8257299991 . . . . . . . . . . . 27700 5 >> 83 1 8.774 . 28.6800786853 . . . . . . . . . . . 27700 5 >> 83 2 121.919 . 23.8523601728 . . . . . . . . . . . 27700 5 >> 83 3 174.553 . 39.0013058980 . . . . . . . . . . . 27700 5 >> 84 1 9.389 . 27.6861757767 . . . . . . . . . . . 27700 5 >> 84 2 121.666 . 25.6444593856 . . . . . . . . . . . 27700 5 >> 84 3 177.727 . 37.4379123838 . . . . . . . . . . . 27700 5 >> 85 1 8.530 . 29.3339352782 . . . . . . . . . . . 27700 5 >> 85 2 120.277 . 25.4431947127 . . . . . . . . . . . 27700 5 >> 85 3 177.421 . 62.3253083998 . . . . . . . . . . . 27700 5 >> 86 1 9.315 . 29.4577898230 . . . . . . . . . . . 27700 5 >> 86 2 120.231 . 25.2397779369 . . . . . . . . . . . 27700 5 >> 86 3 175.437 . 33.8802200919 . . . . . . . . . . . 27700 5 >> 87 1 6.735 . 23.8690025559 . . . . . . . . . . . 27700 5 >> 87 2 117.562 . 30.1401164751 . . . . . . . . . . . 27700 5 >> 87 3 177.658 . 45.9651152293 . . . . . . . . . . . 27700 5 >> 88 1 7.087 . 20.9513506511 . . . . . . . . . . . 27700 5 >> 88 2 127.514 . 22.1736337462 . . . . . . . . . . . 27700 5 >> 88 3 175.726 . 37.3539531530 . . . . . . . . . . . 27700 5 >> 90 1 8.075 . 28.3383287308 . . . . . . . . . . . 27700 5 >> 90 2 110.016 . 30.0097851172 . . . . . . . . . . . 27700 5 >> 90 3 175.133 . 33.0154186509 . . . . . . . . . . . 27700 5 >> 92 1 8.811 . 25.7218801757 . . . . . . . . . . . 27700 5 >> 92 2 121.359 . 28.1941849396 . . . . . . . . . . . 27700 5 >> 92 3 178.089 . 40.3389922180 . . . . . . . . . . . 27700 5 >> 93 1 8.540 . 29.2066734557 . . . . . . . . . . . 27700 5 >> 93 2 122.186 . 24.6632725844 . . . . . . . . . . . 27700 5 >> 93 3 176.601 . 41.0558502307 . . . . . . . . . . . 27700 5 >> 94 1 8.328 . 29.1492608262 . . . . . . . . . . . 27700 5 >> 94 2 120.186 . 26.8390487206 . . . . . . . . . . . 27700 5 >> 94 3 179.955 . 40.8586101293 . . . . . . . . . . . 27700 5 >> 95 1 7.965 . 25.5302208044 . . . . . . . . . . . 27700 5 >> 95 2 121.000 . 24.6514790599 . . . . . . . . . . . 27700 5 >> 95 3 177.079 . 40.1107213830 . . . . . . . . . . . 27700 5 >> 96 1 8.523 . 23.5347486124 . . . . . . . . . . . 27700 5 >> 96 2 124.057 . 23.0991241217 . . . . . . . . . . . 27700 5 >> 96 3 176.474 . 35.5137932685 . . . . . . . . . . . 27700 5 >> 97 1 7.740 . 29.4968031529 . . . . . . . . . . . 27700 5 >> 97 2 120.428 . 24.9404634512 . . . . . . . . . . . 27700 5 >> 97 3 180.492 . 37.2650268685 . . . . . . . . . . . 27700 5 >> 98 1 8.621 . 30.8844170011 . . . . . . . . . . . 27700 5 >> 98 2 113.501 . 25.2445125635 . . . . . . . . . . . 27700 5 >> 98 3 173.627 . 44.5908970303 . . . . . . . . . . . 27700 5 >> 99 1 9.240 . 33.0947180528 . . . . . . . . . . . 27700 5 >> 99 2 128.485 . 29.2079545803 . . . . . . . . . . . 27700 5 >> 99 3 177.090 . 46.9914260304 . . . . . . . . . . . 27700 5 >> 101 1 8.282 . 20.8111411733 . . . . . . . . . . . 27700 5 >> 101 2 123.677 . 19.9320893423 . . . . . . . . . . . 27700 5 >> 101 3 176.568 . 44.3975557990 . . . . . . . . . . . 27700 5 >> 102 1 8.093 . 24.3633985519 . . . . . . . . . . . 27700 5 >> 102 2 123.825 . 23.1071299449 . . . . . . . . . . . 27700 5 >> 102 3 174.785 . 34.1624341985 . . . . . . . . . . . 27700 5 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.411 . . 1 1 1 114 PHE H . . . . . . . . . . 1 . 27700 5 >> 1 2 1 . . 120.000 . . 1 1 1 114 PHE N . . . . . . . . . . 2 . 27700 5 >> 2 1 1 . . 7.722 . . 1 1 1 102 LEU H . . . . . . . . . . 3 . 27700 5 >> 2 2 1 . . 119.929 . . 1 1 1 102 LEU N . . . . . . . . . . 4 . 27700 5 >> 2 3 1 . . 174.898 . . 1 1 1 102 LEU C . . . . . . . . . . 223 . 27700 5 >> 3 1 1 . . 7.566 . . 1 1 1 53 VAL H . . . . . . . . . . 5 . 27700 5 >> 3 2 1 . . 118.910 . . 1 1 1 53 VAL N . . . . . . . . . . 6 . 27700 5 >> 3 3 1 . . 177.647 . . 1 1 1 53 VAL C . . . . . . . . . . 225 . 27700 5 >> 4 1 1 . . 7.470 . . 1 1 1 94 LYS H . . . . . . . . . . 7 . 27700 5 >> 4 2 1 . . 117.833 . . 1 1 1 94 LYS N . . . . . . . . . . 8 . 27700 5 >> 4 3 1 . . 179.323 . . 1 1 1 94 LYS C . . . . . . . . . . 228 . 27700 5 >> 5 1 1 . . 8.426 . . 1 1 1 40 LYS H . . . . . . . . . . 9 . 27700 5 >> 5 2 1 . . 124.056 . . 1 1 1 40 LYS N . . . . . . . . . . 10 . 27700 5 >> 5 3 1 . . 176.718 . . 1 1 1 34 LYS C . . . . . . . . . . 231 . 27700 5 >> 6 1 1 . . 8.416 . . 1 1 1 28 ALA H . . . . . . . . . . 11 . 27700 5 >> 6 2 1 . . 126.803 . . 1 1 1 28 ALA N . . . . . . . . . . 12 . 27700 5 >> 6 3 1 . . 177.548 . . 1 1 1 28 ALA C . . . . . . . . . . 234 . 27700 5 >> 7 1 1 . . 7.364 . . 1 1 1 77 VAL H . . . . . . . . . . 13 . 27700 5 >> 7 2 1 . . 120.652 . . 1 1 1 77 VAL N . . . . . . . . . . 14 . 27700 5 >> 7 3 1 . . 177.183 . . 1 1 1 77 VAL C . . . . . . . . . . 235 . 27700 5 >> 8 1 1 . . 9.101 . . 1 1 1 103 LEU H . . . . . . . . . . 15 . 27700 5 >> 8 2 1 . . 119.828 . . 1 1 1 103 LEU N . . . . . . . . . . 16 . 27700 5 >> 8 3 1 . . 175.619 . . 1 1 1 103 LEU C . . . . . . . . . . 239 . 27700 5 >> 9 1 1 . . 9.148 . . 1 1 1 82 GLN H . . . . . . . . . . 17 . 27700 5 >> 9 2 1 . . 125.998 . . 1 1 1 82 GLN N . . . . . . . . . . 18 . 27700 5 >> 9 3 1 . . 178.356 . . 1 1 1 82 GLN C . . . . . . . . . . 242 . 27700 5 >> 10 1 1 . . 7.237 . . 1 1 1 73 GLU H . . . . . . . . . . 19 . 27700 5 >> 10 2 1 . . 117.751 . . 1 1 1 73 GLU N . . . . . . . . . . 20 . 27700 5 >> 10 3 1 . . 178.725 . . 1 1 1 73 GLU C . . . . . . . . . . 246 . 27700 5 >> 11 1 1 . . 8.508 . . 1 1 1 14 ALA H . . . . . . . . . . 21 . 27700 5 >> 11 2 1 . . 126.703 . . 1 1 1 14 ALA N . . . . . . . . . . 22 . 27700 5 >> 11 3 1 . . 178.469 . . 1 1 1 14 ALA C . . . . . . . . . . 249 . 27700 5 >> 12 1 1 . . 7.750 . . 1 1 1 113 SER H . . . . . . . . . . 23 . 27700 5 >> 12 2 1 . . 114.496 . . 1 1 1 113 SER N . . . . . . . . . . 24 . 27700 5 >> 12 3 1 . . 172.290 . . 1 1 1 113 SER C . . . . . . . . . . 254 . 27700 5 >> 13 1 1 . . 8.201 . . 1 1 1 58 ARG H . . . . . . . . . . 25 . 27700 5 >> 13 2 1 . . 119.569 . . 1 1 1 58 ARG N . . . . . . . . . . 26 . 27700 5 >> 13 3 1 . . 178.853 . . 1 1 1 58 ARG C . . . . . . . . . . 258 . 27700 5 >> 14 1 1 . . 7.808 . . 1 1 1 100 ASP H . . . . . . . . . . 27 . 27700 5 >> 14 2 1 . . 113.497 . . 1 1 1 100 ASP N . . . . . . . . . . 28 . 27700 5 >> 14 3 1 . . 175.787 . . 1 1 1 100 ASP C . . . . . . . . . . 261 . 27700 5 >> 15 1 1 . . 8.578 . . 1 1 1 54 GLU H . . . . . . . . . . 29 . 27700 5 >> 15 2 1 . . 117.659 . . 1 1 1 54 GLU N . . . . . . . . . . 30 . 27700 5 >> 15 3 1 . . 179.576 . . 1 1 1 54 GLU C . . . . . . . . . . 264 . 27700 5 >> 16 1 1 . . 8.420 . . 1 1 1 33 SER H . . . . . . . . . . 31 . 27700 5 >> 16 2 1 . . 116.566 . . 1 1 1 33 SER N . . . . . . . . . . 32 . 27700 5 >> 16 3 1 . . 174.926 . . 1 1 1 33 SER C . . . . . . . . . . 268 . 27700 5 >> 17 1 1 . . 8.360 . . 1 1 1 8 ALA H . . . . . . . . . . 33 . 27700 5 >> 17 2 1 . . 126.464 . . 1 1 1 8 ALA N . . . . . . . . . . 34 . 27700 5 >> 17 3 1 . . 177.411 . . 1 1 1 8 ALA C . . . . . . . . . . 274 . 27700 5 >> 18 1 1 . . 7.938 . . 1 1 1 72 THR H . . . . . . . . . . 35 . 27700 5 >> 18 2 1 . . 114.441 . . 1 1 1 72 THR N . . . . . . . . . . 36 . 27700 5 >> 18 3 1 . . 175.259 . . 1 1 1 72 THR C . . . . . . . . . . 276 . 27700 5 >> 19 1 1 . . 8.646 . . 1 1 1 61 GLU H . . . . . . . . . . 37 . 27700 5 >> 19 2 1 . . 119.122 . . 1 1 1 61 GLU N . . . . . . . . . . 38 . 27700 5 >> 19 3 1 . . 179.264 . . 1 1 1 61 GLU C . . . . . . . . . . 279 . 27700 5 >> 20 1 1 . . 8.302 . . 1 1 1 9 LEU H . . . . . . . . . . 39 . 27700 5 >> 20 2 1 . . 123.965 . . 1 1 1 9 LEU N . . . . . . . . . . 40 . 27700 5 >> 20 3 1 . . 175.321 . . 1 1 1 9 LEU C . . . . . . . . . . 283 . 27700 5 >> 21 1 1 . . 8.803 . . 1 1 1 110 ALA H . . . . . . . . . . 41 . 27700 5 >> 21 2 1 . . 126.121 . . 1 1 1 110 ALA N . . . . . . . . . . 42 . 27700 5 >> 21 3 1 . . 177.675 . . 1 1 1 110 ALA C . . . . . . . . . . 287 . 27700 5 >> 22 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 5 >> 22 2 1 . . 114.372 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 5 >> 23 1 1 . . 7.679 . . 1 1 1 99 ASN H . . . . . . . . . . 43 . 27700 5 >> 23 2 1 . . 114.239 . . 1 1 1 99 ASN N . . . . . . . . . . 44 . 27700 5 >> 23 3 1 . . 175.247 . . 1 1 1 99 ASN C . . . . . . . . . . 292 . 27700 5 >> 24 1 1 . . 8.806 . . 1 1 1 101 THR H . . . . . . . . . . 49 . 27700 5 >> 24 2 1 . . 119.066 . . 1 1 1 101 THR N . . . . . . . . . . 50 . 27700 5 >> 24 3 1 . . 175.452 . . 1 1 1 101 THR C . . . . . . . . . . 301 . 27700 5 >> 25 1 1 . . 8.310 . . 1 1 1 26 GLY H . . . . . . . . . . 53 . 27700 5 >> 25 2 1 . . 109.371 . . 1 1 1 26 GLY N . . . . . . . . . . 54 . 27700 5 >> 25 3 1 . . 174.340 . . 1 1 1 26 GLY C . . . . . . . . . . 307 . 27700 5 >> 26 1 1 . . 8.485 . . 1 1 1 24 ALA H . . . . . . . . . . 57 . 27700 5 >> 26 2 1 . . 126.811 . . 1 1 1 24 ALA N . . . . . . . . . . 58 . 27700 5 >> 26 3 1 . . 178.286 . . 1 1 1 24 ALA C . . . . . . . . . . 311 . 27700 5 >> 27 1 1 . . 8.465 . . 1 1 1 23 LYS H . . . . . . . . . . 59 . 27700 5 >> 27 2 1 . . 125.477 . . 1 1 1 23 LYS N . . . . . . . . . . 60 . 27700 5 >> 27 3 1 . . 176.230 . . 1 1 1 23 LYS C . . . . . . . . . . 314 . 27700 5 >> 28 1 1 . . 8.406 . . 1 1 1 39 SER H . . . . . . . . . . 61 . 27700 5 >> 28 2 1 . . 117.743 . . 1 1 1 39 SER N . . . . . . . . . . 62 . 27700 5 >> 28 3 1 . . 174.602 . . 1 1 1 39 SER C . . . . . . . . . . 318 . 27700 5 >> 29 1 1 . . 8.604 . . 1 1 1 4 GLU H . . . . . . . . . . 63 . 27700 5 >> 29 2 1 . . 125.277 . . 1 1 1 4 GLU N . . . . . . . . . . 64 . 27700 5 >> 29 3 1 . . 176.359 . . 1 1 1 4 GLU C . . . . . . . . . . 328 . 27700 5 >> 30 1 1 . . 7.177 . . 1 1 1 80 PHE H . . . . . . . . . . 65 . 27700 5 >> 30 2 1 . . 125.083 . . 1 1 1 80 PHE N . . . . . . . . . . 66 . 27700 5 >> 30 3 1 . . 175.010 . . 1 1 1 80 PHE C . . . . . . . . . . 331 . 27700 5 >> 31 1 1 . . 8.149 . . 1 1 1 59 LEU H . . . . . . . . . . 69 . 27700 5 >> 31 2 1 . . 118.901 . . 1 1 1 59 LEU N . . . . . . . . . . 70 . 27700 5 >> 31 3 1 . . 179.466 . . 1 1 1 59 LEU C . . . . . . . . . . 335 . 27700 5 >> 32 1 1 . . 8.042 . . 1 1 1 108 THR H . . . . . . . . . . 85 . 27700 5 >> 32 2 1 . . 111.903 . . 1 1 1 108 THR N . . . . . . . . . . 86 . 27700 5 >> 32 3 1 . . 175.248 . . 1 1 1 108 THR C . . . . . . . . . . 348 . 27700 5 >> 33 1 1 . . 8.568 . . 1 1 1 105 VAL H . . . . . . . . . . 91 . 27700 5 >> 33 2 1 . . 127.696 . . 1 1 1 105 VAL N . . . . . . . . . . 92 . 27700 5 >> 33 3 1 . . 175.633 . . 1 1 1 105 VAL C . . . . . . . . . . 353 . 27700 5 >> 34 1 1 . . 7.304 . . 1 1 1 75 LYS H . . . . . . . . . . 95 . 27700 5 >> 34 2 1 . . 111.393 . . 1 1 1 75 LYS N . . . . . . . . . . 96 . 27700 5 >> 34 3 1 . . 176.014 . . 1 1 1 75 LYS C . . . . . . . . . . 360 . 27700 5 >> 35 1 1 . . 8.213 . . 1 1 1 112 GLY H . . . . . . . . . . 97 . 27700 5 >> 35 2 1 . . 108.074 . . 1 1 1 112 GLY N . . . . . . . . . . 98 . 27700 5 >> 35 3 1 . . 172.785 . . 1 1 1 112 GLY C . . . . . . . . . . 364 . 27700 5 >> 36 1 1 . . 8.985 . . 1 1 1 104 GLN H . . . . . . . . . . 101 . 27700 5 >> 36 2 1 . . 125.017 . . 1 1 1 104 GLN N . . . . . . . . . . 102 . 27700 5 >> 36 3 1 . . 175.249 . . 1 1 1 104 GLN C . . . . . . . . . . 366 . 27700 5 >> 37 1 1 . . 8.442 . . 1 1 1 42 LYS H . . . . . . . . . . 103 . 27700 5 >> 37 2 1 . . 123.485 . . 1 1 1 42 LYS N . . . . . . . . . . 104 . 27700 5 >> 37 3 1 . . 176.292 . . 1 1 1 42 LYS C . . . . . . . . . . 369 . 27700 5 >> 38 1 1 . . 8.176 . . 1 1 1 117 ASN H . . . . . . . . . . 107 . 27700 5 >> 38 2 1 . . 121.926 . . 1 1 1 117 ASN N . . . . . . . . . . 108 . 27700 5 >> 38 3 1 . . 174.772 . . 1 1 1 117 ASN C . . . . . . . . . . 371 . 27700 5 >> 39 1 1 . . 8.460 . . 1 1 1 15 GLU H . . . . . . . . . . 113 . 27700 5 >> 39 2 1 . . 120.507 . . 1 1 1 15 GLU N . . . . . . . . . . 114 . 27700 5 >> 39 3 1 . . 177.584 . . 1 1 1 15 GLU C . . . . . . . . . . 380 . 27700 5 >> 40 1 1 . . 8.307 . . 1 1 1 21 VAL H . . . . . . . . . . 115 . 27700 5 >> 40 2 1 . . 123.301 . . 1 1 1 21 VAL N . . . . . . . . . . 116 . 27700 5 >> 40 3 1 . . 176.383 . . 1 1 1 21 VAL C . . . . . . . . . . 396 . 27700 5 >> 41 1 1 . . 8.345 . . 1 1 1 12 THR H . . . . . . . . . . 117 . 27700 5 >> 41 2 1 . . 118.848 . . 1 1 1 12 THR N . . . . . . . . . . 118 . 27700 5 >> 41 3 1 . . 174.678 . . 1 1 1 12 THR C . . . . . . . . . . 387 . 27700 5 >> 42 1 1 . . 8.375 . . 1 1 1 11 VAL H . . . . . . . . . . 119 . 27700 5 >> 42 2 1 . . 121.610 . . 1 1 1 11 VAL N . . . . . . . . . . 120 . 27700 5 >> 42 3 1 . . 176.673 . . 1 1 1 11 VAL C . . . . . . . . . . 390 . 27700 5 >> 43 1 1 . . 8.386 . . 1 1 1 22 THR H . . . . . . . . . . 121 . 27700 5 >> 43 2 1 . . 120.506 . . 1 1 1 22 THR N . . . . . . . . . . 122 . 27700 5 >> 43 3 1 . . 174.325 . . 1 1 1 22 THR C . . . . . . . . . . 395 . 27700 5 >> 44 1 1 . . 8.425 . . 1 1 1 7 GLU H . . . . . . . . . . 125 . 27700 5 >> 44 2 1 . . 123.108 . . 1 1 1 7 GLU N . . . . . . . . . . 126 . 27700 5 >> 44 3 1 . . 175.844 . . 1 1 1 7 GLU C . . . . . . . . . . 400 . 27700 5 >> 45 1 1 . . 8.504 . . 1 1 1 43 ASN H . . . . . . . . . . 129 . 27700 5 >> 45 2 1 . . 120.484 . . 1 1 1 43 ASN N . . . . . . . . . . 130 . 27700 5 >> 45 3 1 . . 174.687 . . 1 1 1 43 ASN C . . . . . . . . . . 491 . 27700 5 >> 46 1 1 . . 8.460 . . 1 1 1 97 VAL H . . . . . . . . . . 131 . 27700 5 >> 46 2 1 . . 123.067 . . 1 1 1 97 VAL N . . . . . . . . . . 132 . 27700 5 >> 46 3 1 . . 180.628 . . 1 1 1 97 VAL C . . . . . . . . . . 404 . 27700 5 >> 47 1 1 . . 8.122 . . 1 1 1 111 ASN H . . . . . . . . . . 135 . 27700 5 >> 47 2 1 . . 116.322 . . 1 1 1 111 ASN N . . . . . . . . . . 136 . 27700 5 >> 47 3 1 . . 174.732 . . 1 1 1 111 ASN C . . . . . . . . . . 407 . 27700 5 >> 48 1 1 . . 8.409 . . 1 1 1 6 GLU H . . . . . . . . . . 139 . 27700 5 >> 48 2 1 . . 122.804 . . 1 1 1 6 GLU N . . . . . . . . . . 140 . 27700 5 >> 48 3 1 . . 176.344 . . 1 1 1 6 GLU C . . . . . . . . . . 412 . 27700 5 >> 49 1 1 . . 8.075 . . 1 1 1 17 MET H . . . . . . . . . . 145 . 27700 5 >> 49 2 1 . . 120.386 . . 1 1 1 17 MET N . . . . . . . . . . 146 . 27700 5 >> 49 3 1 . . 176.455 . . 1 1 1 17 MET C . . . . . . . . . . 417 . 27700 5 >> 50 1 1 . . 8.974 . . 1 1 1 86 ARG H . . . . . . . . . . 147 . 27700 5 >> 50 2 1 . . 122.462 . . 1 1 1 86 ARG N . . . . . . . . . . 148 . 27700 5 >> 50 3 1 . . 178.020 . . 1 1 1 86 ARG C . . . . . . . . . . 419 . 27700 5 >> 51 1 1 . . 8.329 . . 1 1 1 5 LEU H . . . . . . . . . . 149 . 27700 5 >> 51 2 1 . . 124.015 . . 1 1 1 5 LEU N . . . . . . . . . . 150 . 27700 5 >> 51 3 1 . . 177.304 . . 1 1 1 5 LEU C . . . . . . . . . . 422 . 27700 5 >> 52 1 1 . . 7.431 . . 1 1 1 88 TYR H . . . . . . . . . . 151 . 27700 5 >> 52 2 1 . . 121.346 . . 1 1 1 88 TYR N . . . . . . . . . . 152 . 27700 5 >> 52 3 1 . . 180.412 . . 1 1 1 88 TYR C . . . . . . . . . . 426 . 27700 5 >> 53 1 1 . . 8.386 . . 1 1 1 34 LYS H . . . . . . . . . . 153 . 27700 5 >> 53 2 1 . . 124.461 . . 1 1 1 34 LYS N . . . . . . . . . . 154 . 27700 5 >> 53 3 1 . . 176.622 . . 1 1 1 34 LYS C . . . . . . . . . . 231 . 27700 5 >> 54 1 1 . . 7.898 . . 1 1 1 50 GLN H . . . . . . . . . . 159 . 27700 5 >> 54 2 1 . . 121.151 . . 1 1 1 50 GLN N . . . . . . . . . . 160 . 27700 5 >> 54 3 1 . . 177.783 . . 1 1 1 50 GLN C . . . . . . . . . . 531 . 27700 5 >> 55 1 1 . . 8.193 . . 1 1 1 18 ALA H . . . . . . . . . . 71 . 27700 5 >> 55 2 1 . . 125.079 . . 1 1 1 18 ALA N . . . . . . . . . . 72 . 27700 5 >> 55 3 1 . . 177.893 . . 1 1 1 18 ALA C . . . . . . . . . . 439 . 27700 5 >> 56 1 1 . . 9.083 . . 1 1 1 116 LEU H . . . . . . . . . . 163 . 27700 5 >> 56 2 1 . . 122.289 . . 1 1 1 116 LEU N . . . . . . . . . . 164 . 27700 5 >> 56 3 1 . . 177.162 . . 1 1 1 116 LEU C . . . . . . . . . . 445 . 27700 5 >> 57 1 1 . . 9.036 . . 1 1 1 74 ALA H . . . . . . . . . . 165 . 27700 5 >> 57 2 1 . . 125.172 . . 1 1 1 74 ALA N . . . . . . . . . . 166 . 27700 5 >> 57 3 1 . . 177.231 . . 1 1 1 74 ALA C . . . . . . . . . . 448 . 27700 5 >> 58 1 1 . . 8.626 . . 1 1 1 38 ASN H . . . . . . . . . . 167 . 27700 5 >> 58 2 1 . . 121.084 . . 1 1 1 38 ASN N . . . . . . . . . . 168 . 27700 5 >> 58 3 1 . . 175.368 . . 1 1 1 38 ASN C . . . . . . . . . . 451 . 27700 5 >> 59 1 1 . . 8.077 . . 1 1 1 119 LYS H . . . . . . . . . . 169 . 27700 5 >> 59 2 1 . . 128.919 . . 1 1 1 119 LYS N . . . . . . . . . . 170 . 27700 5 >> 59 3 1 . . 181.479 . . 1 1 1 119 LYS C . . . . . . . . . . 454 . 27700 5 >> 60 1 1 . . 8.588 . . 1 1 1 68 ALA H . . . . . . . . . . 171 . 27700 5 >> 60 2 1 . . 120.163 . . 1 1 1 68 ALA N . . . . . . . . . . 172 . 27700 5 >> 60 3 1 . . 180.248 . . 1 1 1 68 ALA C . . . . . . . . . . 457 . 27700 5 >> 61 1 1 . . 7.608 . . 1 1 1 95 ALA H . . . . . . . . . . 179 . 27700 5 >> 61 2 1 . . 122.078 . . 1 1 1 95 ALA N . . . . . . . . . . 180 . 27700 5 >> 61 3 1 . . 180.238 . . 1 1 1 95 ALA C . . . . . . . . . . 469 . 27700 5 >> 62 1 1 . . 8.173 . . 1 1 1 19 LYS H . . . . . . . . . . 181 . 27700 5 >> 62 2 1 . . 121.024 . . 1 1 1 19 LYS N . . . . . . . . . . 182 . 27700 5 >> 62 3 1 . . 176.650 . . 1 1 1 41 LYS C . . . . . . . . . . 342 . 27700 5 >> 63 1 1 . . 8.211 . . 1 1 1 13 THR H . . . . . . . . . . 183 . 27700 5 >> 63 2 1 . . 116.977 . . 1 1 1 13 THR N . . . . . . . . . . 184 . 27700 5 >> 63 3 1 . . 174.556 . . 1 1 1 13 THR C . . . . . . . . . . 472 . 27700 5 >> 64 1 1 . . 8.833 . . 1 1 1 115 LYS H . . . . . . . . . . 185 . 27700 5 >> 64 2 1 . . 119.999 . . 1 1 1 115 LYS N . . . . . . . . . . 186 . 27700 5 >> 64 3 1 . . 175.618 . . 1 1 1 115 LYS C . . . . . . . . . . 475 . 27700 5 >> 65 1 1 . . 8.033 . . 1 1 1 90 LYS H . . . . . . . . . . 193 . 27700 5 >> 65 2 1 . . 120.052 . . 1 1 1 90 LYS N . . . . . . . . . . 194 . 27700 5 >> 65 3 1 . . 179.225 . . 1 1 1 90 LYS C . . . . . . . . . . 487 . 27700 5 >> 66 1 1 . . 8.309 . . 1 1 1 44 GLN H . . . . . . . . . . 195 . 27700 5 >> 66 2 1 . . 121.934 . . 1 1 1 44 GLN N . . . . . . . . . . 196 . 27700 5 >> 66 3 1 . . 173.749 . . 1 1 1 44 GLN C . . . . . . . . . . 490 . 27700 5 >> 67 1 1 . . 7.868 . . 1 1 1 69 LYS H . . . . . . . . . . 197 . 27700 5 >> 67 2 1 . . 120.634 . . 1 1 1 69 LYS N . . . . . . . . . . 198 . 27700 5 >> 67 3 1 . . 179.145 . . 1 1 1 69 LYS C . . . . . . . . . . 495 . 27700 5 >> 68 1 1 . . 8.482 . . 1 1 1 25 GLY H . . . . . . . . . . 199 . 27700 5 >> 68 2 1 . . 109.472 . . 1 1 1 25 GLY N . . . . . . . . . . 200 . 27700 5 >> 68 3 1 . . 174.790 . . 1 1 1 25 GLY C . . . . . . . . . . 497 . 27700 5 >> 69 1 1 . . 8.678 . . 1 1 1 109 GLY H . . . . . . . . . . 209 . 27700 5 >> 69 2 1 . . 112.662 . . 1 1 1 109 GLY N . . . . . . . . . . 210 . 27700 5 >> 69 3 1 . . 174.620 . . 1 1 1 109 GLY C . . . . . . . . . . 498 . 27700 5 >> 70 1 1 . . 8.698 . . 1 1 1 63 ASN H . . . . . . . . . . 211 . 27700 5 >> 70 2 1 . . 114.984 . . 1 1 1 63 ASN N . . . . . . . . . . 212 . 27700 5 >> 70 3 1 . . 174.835 . . 1 1 1 63 ASN C . . . . . . . . . . 502 . 27700 5 >> 71 1 1 . . 8.038 . . 1 1 1 31 SER H . . . . . . . . . . 207 . 27700 5 >> 71 2 1 . . 117.060 . . 1 1 1 31 SER N . . . . . . . . . . 208 . 27700 5 >> 71 3 1 . . 172.751 . . 1 1 1 31 SER C . . . . . . . . . . 506 . 27700 5 >> 72 1 1 . . 8.362 . . 1 1 1 27 SER H . . . . . . . . . . 213 . 27700 5 >> 72 2 1 . . 116.445 . . 1 1 1 27 SER N . . . . . . . . . . 214 . 27700 5 >> 72 3 1 . . 174.569 . . 1 1 1 27 SER C . . . . . . . . . . 509 . 27700 5 >> 73 1 1 . . 8.184 . . 1 1 1 30 LEU H . . . . . . . . . . 203 . 27700 5 >> 73 2 1 . . 122.303 . . 1 1 1 30 LEU N . . . . . . . . . . 204 . 27700 5 >> 73 3 1 . . 176.555 . . 1 1 1 30 LEU C . . . . . . . . . . 511 . 27700 5 >> 74 1 1 . . 7.999 . . 1 1 1 84 ASN H . . . . . . . . . . 215 . 27700 5 >> 74 2 1 . . 115.673 . . 1 1 1 84 ASN N . . . . . . . . . . 216 . 27700 5 >> 74 3 1 . . 174.844 . . 1 1 1 84 ASN C . . . . . . . . . . 513 . 27700 5 >> 75 1 1 . . 8.380 . . 1 1 1 16 GLY H . . . . . . . . . . 217 . 27700 5 >> 75 2 1 . . 110.144 . . 1 1 1 16 GLY N . . . . . . . . . . 218 . 27700 5 >> 75 3 1 . . 174.752 . . 1 1 1 16 GLY C . . . . . . . . . . 516 . 27700 5 >> 76 1 1 . . 8.346 . . 1 . . . . . . . . . . . . . . . 386 . 27700 5 >> 76 2 1 . . 118.949 . . 1 . . . . . . . . . . . . . . . 385 . 27700 5 >> 76 3 1 . . 172.746 . . 1 . . . . . . . . . . . . . . . 519 . 27700 5 >> 77 1 2 . . 8.431 . . 1 1 1 36 ARG H . . . . . . . . . . 83 . 27700 5 >> 77 2 2 . . 123.777 . . 1 1 1 36 ARG N . . . . . . . . . . 84 . 27700 5 >> 77 3 1 . . 176.486 . . 1 1 1 36 ARG C . . . . . . . . . . 524 . 27700 5 >> 78 1 1 . . 8.189 . . 1 1 1 29 ALA H . . . . . . . . . . 123 . 27700 5 >> 78 2 1 . . 123.629 . . 1 1 1 29 ALA N . . . . . . . . . . 124 . 27700 5 >> 78 3 1 . . 177.625 . . 1 1 1 29 ALA C . . . . . . . . . . 527 . 27700 5 >> 79 1 1 . . 8.327 . . 1 1 1 41 LYS H . . . . . . . . . . 105 . 27700 5 >> 79 2 1 . . 123.477 . . 1 1 1 41 LYS N . . . . . . . . . . 106 . 27700 5 >> 79 3 1 . . 176.693 . . 1 1 1 41 LYS C . . . . . . . . . . 342 . 27700 5 >> 80 1 1 . . 8.442 . . 1 1 1 57 ARG H . . . . . . . . . . 175 . 27700 5 >> 80 2 1 . . 120.993 . . 1 1 1 57 ARG N . . . . . . . . . . 176 . 27700 5 >> 80 3 1 . . 178.580 . . 1 1 1 57 ARG C . . . . . . . . . . 533 . 27700 5 >> 81 1 1 . . 7.488 . . 1 1 1 60 GLY H . . . . . . . . . . 143 . 27700 5 >> 81 2 1 . . 105.024 . . 1 1 1 60 GLY N . . . . . . . . . . 144 . 27700 5 >> 81 3 1 . . 175.088 . . 1 1 1 60 GLY C . . . . . . . . . . 534 . 27700 5 >> 82 1 1 . . 7.025 . . 1 1 1 64 GLY H . . . . . . . . . . 191 . 27700 5 >> 82 2 1 . . 104.621 . . 1 1 1 64 GLY N . . . . . . . . . . 192 . 27700 5 >> 82 3 1 . . 171.964 . . 1 1 1 64 GLY C . . . . . . . . . . 535 . 27700 5 >> 83 1 1 . . 8.774 . . 1 1 1 66 SER H . . . . . . . . . . 187 . 27700 5 >> 83 2 1 . . 121.919 . . 1 1 1 66 SER N . . . . . . . . . . 188 . 27700 5 >> 83 3 1 . . 174.553 . . 1 1 1 66 SER C . . . . . . . . . . 536 . 27700 5 >> 84 1 1 . . 9.389 . . 1 1 1 67 LEU H . . . . . . . . . . 111 . 27700 5 >> 84 2 1 . . 121.666 . . 1 1 1 67 LEU N . . . . . . . . . . 112 . 27700 5 >> 84 3 1 . . 177.727 . . 1 1 1 67 LEU C . . . . . . . . . . 537 . 27700 5 >> 85 1 1 . . 8.530 . . 1 1 1 70 ILE H . . . . . . . . . . 161 . 27700 5 >> 85 2 1 . . 120.277 . . 1 1 1 70 ILE N . . . . . . . . . . 162 . 27700 5 >> 85 3 1 . . 177.421 . . 1 1 1 70 ILE C . . . . . . . . . . 538 . 27700 5 >> 86 1 1 . . 9.315 . . 1 1 1 71 TYR H . . . . . . . . . . 155 . 27700 5 >> 86 2 1 . . 120.231 . . 1 1 1 71 TYR N . . . . . . . . . . 156 . 27700 5 >> 86 3 1 . . 175.437 . . 1 1 1 71 TYR C . . . . . . . . . . 539 . 27700 5 >> 87 1 1 . . 6.735 . . 1 1 1 76 LYS H . . . . . . . . . . 205 . 27700 5 >> 87 2 1 . . 117.562 . . 1 1 1 76 LYS N . . . . . . . . . . 206 . 27700 5 >> 87 3 1 . . 177.658 . . 1 1 1 76 LYS C . . . . . . . . . . 541 . 27700 5 >> 88 1 1 . . 7.087 . . 1 1 1 81 ASP H . . . . . . . . . . 73 . 27700 5 >> 88 2 1 . . 127.514 . . 1 1 1 81 ASP N . . . . . . . . . . 74 . 27700 5 >> 88 3 1 . . 175.726 . . 1 1 1 81 ASP C . . . . . . . . . . 542 . 27700 5 >> 90 1 1 . . 8.075 . . 1 1 1 85 GLY H . . . . . . . . . . 109 . 27700 5 >> 90 2 1 . . 110.016 . . 1 1 1 85 GLY N . . . . . . . . . . 110 . 27700 5 >> 90 3 1 . . 175.133 . . 1 1 1 85 GLY C . . . . . . . . . . 544 . 27700 5 >> 92 1 1 . . 8.811 . . 1 1 1 89 LEU H . . . . . . . . . . 141 . 27700 5 >> 92 2 1 . . 121.359 . . 1 1 1 89 LEU N . . . . . . . . . . 142 . 27700 5 >> 92 3 1 . . 178.089 . . 1 1 1 89 LEU C . . . . . . . . . . 486 . 27700 5 >> 93 1 1 . . 8.540 . . 1 1 1 93 ILE H . . . . . . . . . . 173 . 27700 5 >> 93 2 1 . . 122.186 . . 1 1 1 93 ILE N . . . . . . . . . . 174 . 27700 5 >> 93 3 1 . . 176.601 . . 1 1 1 93 ILE C . . . . . . . . . . 546 . 27700 5 >> 94 1 1 . . 8.328 . . 1 1 1 96 LEU H . . . . . . . . . . 177 . 27700 5 >> 94 2 1 . . 120.186 . . 1 1 1 96 LEU N . . . . . . . . . . 178 . 27700 5 >> 94 3 1 . . 179.955 . . 1 1 1 96 LEU C . . . . . . . . . . 547 . 27700 5 >> 95 1 1 . . 7.965 . . 1 1 1 98 GLN H . . . . . . . . . . 189 . 27700 5 >> 95 2 1 . . 121.000 . . 1 1 1 98 GLN N . . . . . . . . . . 190 . 27700 5 >> 95 3 1 . . 177.079 . . 1 1 1 98 GLN C . . . . . . . . . . 549 . 27700 5 >> 95 3 2 . . 177.079 . . 1 . . . . . . . . . . . . . . . 550 . 27700 5 >> 96 1 1 . . 8.523 . . 1 1 1 37 LYS H . . . . . . . . . . 99 . 27700 5 >> 96 2 1 . . 124.057 . . 1 1 1 37 LYS N . . . . . . . . . . 100 . 27700 5 >> 96 3 1 . . 176.474 . . 1 1 1 37 LYS C . . . . . . . . . . 551 . 27700 5 >> 97 1 1 . . 7.740 . . 1 1 1 51 LEU H . . . . . . . . . . 137 . 27700 5 >> 97 2 1 . . 120.428 . . 1 1 1 51 LEU N . . . . . . . . . . 138 . 27700 5 >> 97 3 1 . . 180.492 . . 1 1 1 51 LEU C . . . . . . . . . . 340 . 27700 5 >> 98 1 1 . . 8.621 . . 1 1 1 65 SER H . . . . . . . . . . 89 . 27700 5 >> 98 2 1 . . 113.501 . . 1 1 1 65 SER N . . . . . . . . . . 90 . 27700 5 >> 98 3 1 . . 173.627 . . 1 1 1 65 SER C . . . . . . . . . . 478 . 27700 5 >> 99 1 1 . . 9.240 . . 1 1 1 62 ARG H . . . . . . . . . . 77 . 27700 5 >> 99 2 1 . . 128.485 . . 1 1 1 62 ARG N . . . . . . . . . . 78 . 27700 5 >> 99 3 1 . . 177.090 . . 1 1 1 62 ARG C . . . . . . . . . . 501 . 27700 5 >> 101 1 1 . . 8.282 . . 1 1 1 20 LYS H . . . . . . . . . . 79 . 27700 5 >> 101 2 1 . . 123.677 . . 1 1 1 20 LYS N . . . . . . . . . . 80 . 27700 5 >> 101 3 1 . . 176.568 . . 1 1 1 20 LYS C . . . . . . . . . . 383 . 27700 5 >> 102 1 1 . . 8.093 . . 1 1 1 118 ARG H . . . . . . . . . . 67 . 27700 5 >> 102 2 1 . . 123.825 . . 1 1 1 118 ARG N . . . . . . . . . . 68 . 27700 5 >> 102 3 1 . . 174.785 . . 1 1 1 118 ARG C . . . . . . . . . . 559 . 27700 5 >> >> stop_ >> >>save_ >> ; save_