data_50012 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 15N labelled IMP13 metallo beta-lactamase (apo-state) ; _BMRB_accession_number 50012 _BMRB_flat_file_name bmr50012.str _Entry_type original _Submission_date 2019-09-11 _Accession_date 2019-09-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Softley Charlotte . . 2 Zak Krzysztof M. . 3 Bostock Mark J. . 4 Fino Roberto . . 5 Zhou Richard X. . 6 Kolonko Marta . . 7 Mejdi-Nitiu Ramona . . 8 Meyer Hannelore . . 9 Sattler Michael . . 10 Popowicz Grzegorz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count spectral_peak_list 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50013 'IMP13 metallo beta-lactamase bound to hydrolysed ertapenem' stop_ _Original_release_date 2019-09-11 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and molecular recognition mechanism of IMP-13 beta-lactamase ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Softley Charlotte . . 2 Zak Krzysztof M. . 3 Bostock Mark J. . 4 Fino Roberto . . 5 Zhou Richard X. . 6 Kolonko Marta . . 7 Mejdi-Nitiu Ramona . . 8 Meyer Hannelore . . 9 Sattler Michael . . 10 Popowicz Grzegorz . . stop_ _Journal_abbreviation 'Antimicrobial Agents and Chemotherapy' _Journal_name_full 'Antimicrobial Agents and Chemotherapy' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name IMP13 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IMP13 $entity_1 zinc_1 $entity_ZN zinc_2 $entity_ZN stop_ _System_molecular_weight 25272.7907 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25272.7907 _Mol_thiol_state 'all free' loop_ _Biological_function 'Metallo beta-lactamase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 228 _Mol_residue_sequence ; MGALPDLKIEKLEEGVFVHT SFEEVNGWGVVTKHGLVVLV NTDAYLIDTPFTATDTEKLV NWFVERGYEIKGTISSHFHS DSTGGIEWLNSQSIPTYASE LTNELLKKSGKVQAKYSFSE VSYWLVKNKIEVFYPGPGHT QDNLVVWLPESKILFGGCFI KPHGLGNLGDANLEAWPKSA KILMSKYGKAKLVVSSHSEK GDASLMKRTWEQALKGLKES KKTSSPSN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ALA 4 LEU 5 PRO 6 ASP 7 LEU 8 LYS 9 ILE 10 GLU 11 LYS 12 LEU 13 GLU 14 GLU 15 GLY 16 VAL 17 PHE 18 VAL 19 HIS 20 THR 21 SER 22 PHE 23 GLU 24 GLU 25 VAL 26 ASN 27 GLY 28 TRP 29 GLY 30 VAL 31 VAL 32 THR 33 LYS 34 HIS 35 GLY 36 LEU 37 VAL 38 VAL 39 LEU 40 VAL 41 ASN 42 THR 43 ASP 44 ALA 45 TYR 46 LEU 47 ILE 48 ASP 49 THR 50 PRO 51 PHE 52 THR 53 ALA 54 THR 55 ASP 56 THR 57 GLU 58 LYS 59 LEU 60 VAL 61 ASN 62 TRP 63 PHE 64 VAL 65 GLU 66 ARG 67 GLY 68 TYR 69 GLU 70 ILE 71 LYS 72 GLY 73 THR 74 ILE 75 SER 76 SER 77 HIS 78 PHE 79 HIS 80 SER 81 ASP 82 SER 83 THR 84 GLY 85 GLY 86 ILE 87 GLU 88 TRP 89 LEU 90 ASN 91 SER 92 GLN 93 SER 94 ILE 95 PRO 96 THR 97 TYR 98 ALA 99 SER 100 GLU 101 LEU 102 THR 103 ASN 104 GLU 105 LEU 106 LEU 107 LYS 108 LYS 109 SER 110 GLY 111 LYS 112 VAL 113 GLN 114 ALA 115 LYS 116 TYR 117 SER 118 PHE 119 SER 120 GLU 121 VAL 122 SER 123 TYR 124 TRP 125 LEU 126 VAL 127 LYS 128 ASN 129 LYS 130 ILE 131 GLU 132 VAL 133 PHE 134 TYR 135 PRO 136 GLY 137 PRO 138 GLY 139 HIS 140 THR 141 GLN 142 ASP 143 ASN 144 LEU 145 VAL 146 VAL 147 TRP 148 LEU 149 PRO 150 GLU 151 SER 152 LYS 153 ILE 154 LEU 155 PHE 156 GLY 157 GLY 158 CYS 159 PHE 160 ILE 161 LYS 162 PRO 163 HIS 164 GLY 165 LEU 166 GLY 167 ASN 168 LEU 169 GLY 170 ASP 171 ALA 172 ASN 173 LEU 174 GLU 175 ALA 176 TRP 177 PRO 178 LYS 179 SER 180 ALA 181 LYS 182 ILE 183 LEU 184 MET 185 SER 186 LYS 187 TYR 188 GLY 189 LYS 190 ALA 191 LYS 192 LEU 193 VAL 194 VAL 195 SER 196 SER 197 HIS 198 SER 199 GLU 200 LYS 201 GLY 202 ASP 203 ALA 204 SER 205 LEU 206 MET 207 LYS 208 ARG 209 THR 210 TRP 211 GLU 212 GLN 213 ALA 214 LEU 215 LYS 216 GLY 217 LEU 218 LYS 219 GLU 220 SER 221 LYS 222 LYS 223 THR 224 SER 225 SER 226 PRO 227 SER 228 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pETM-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.55 mM 0.5 0.6 '[U-100% 15N; U-100% 13C]' HEPES 50 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 50012 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' >> _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 . aliased 6410.2565 Hz . . . . . . 50012 1 >> 2 . . N 15 15N . aliased 2838.1860 Hz . . . . . . 50012 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50012 1 >> 2 1.0 . . 50012 1 >> 3 1.0 . . 50012 1 >> 4 1.0 . . 50012 1 >> 5 1.0 . . 50012 1 >> 6 1.0 . . 50012 1 >> 7 1.0 . . 50012 1 >> 8 1.0 . . 50012 1 >> 9 1.0 . . 50012 1 >> 10 1.0 . . 50012 1 >> 11 1.0 . . 50012 1 >> 12 1.0 . . 50012 1 >> 13 1.0 . . 50012 1 >> 14 1.0 . . 50012 1 >> 15 1.0 . . 50012 1 >> 16 1.0 . . 50012 1 >> 17 1.0 . . 50012 1 >> 18 1.0 . . 50012 1 >> 19 1.0 . . 50012 1 >> 20 1.0 . . 50012 1 >> 21 1.0 . . 50012 1 >> 22 1.0 . . 50012 1 >> 23 1.0 . . 50012 1 >> 24 1.0 . . 50012 1 >> 25 1.0 . . 50012 1 >> 26 1.0 . . 50012 1 >> 27 1.0 . . 50012 1 >> 28 1.0 . . 50012 1 >> 29 1.0 . . 50012 1 >> 30 1.0 . . 50012 1 >> 31 1.0 . . 50012 1 >> 32 1.0 . . 50012 1 >> 33 1.0 . . 50012 1 >> 34 1.0 . . 50012 1 >> 35 1.0 . . 50012 1 >> 36 1.0 . . 50012 1 >> 37 1.0 . . 50012 1 >> 38 1.0 . . 50012 1 >> 39 1.0 . . 50012 1 >> 40 1.0 . . 50012 1 >> 41 1.0 . . 50012 1 >> 42 1.0 . . 50012 1 >> 43 1.0 . . 50012 1 >> 44 1.0 . . 50012 1 >> 45 1.0 . . 50012 1 >> 46 1.0 . . 50012 1 >> 47 1.0 . . 50012 1 >> 48 1.0 . . 50012 1 >> 49 1.0 . . 50012 1 >> 50 1.0 . . 50012 1 >> 51 1.0 . . 50012 1 >> 52 1.0 . . 50012 1 >> 53 1.0 . . 50012 1 >> 54 1.0 . . 50012 1 >> 55 1.0 . . 50012 1 >> 56 1.0 . . 50012 1 >> 57 1.0 . . 50012 1 >> 58 1.0 . . 50012 1 >> 59 1.0 . . 50012 1 >> 60 1.0 . . 50012 1 >> 61 1.0 . . 50012 1 >> 62 1.0 . . 50012 1 >> 63 1.0 . . 50012 1 >> 64 1.0 . . 50012 1 >> 65 1.0 . . 50012 1 >> 66 1.0 . . 50012 1 >> 67 1.0 . . 50012 1 >> 68 1.0 . . 50012 1 >> 69 1.0 . . 50012 1 >> 70 1.0 . . 50012 1 >> 71 1.0 . . 50012 1 >> 72 1.0 . . 50012 1 >> 73 1.0 . . 50012 1 >> 74 1.0 . . 50012 1 >> 75 1.0 . . 50012 1 >> 76 1.0 . . 50012 1 >> 77 1.0 . . 50012 1 >> 78 1.0 . . 50012 1 >> 79 1.0 . . 50012 1 >> 80 1.0 . . 50012 1 >> 81 1.0 . . 50012 1 >> 82 1.0 . . 50012 1 >> 83 1.0 . . 50012 1 >> 84 1.0 . . 50012 1 >> 85 1.0 . . 50012 1 >> 86 1.0 . . 50012 1 >> 87 1.0 . . 50012 1 >> 88 1.0 . . 50012 1 >> 89 1.0 . . 50012 1 >> 90 1.0 . . 50012 1 >> 91 1.0 . . 50012 1 >> 92 1.0 . . 50012 1 >> 93 1.0 . . 50012 1 >> 94 1.0 . . 50012 1 >> 95 1.0 . . 50012 1 >> 96 1.0 . . 50012 1 >> 97 1.0 . . 50012 1 >> 98 1.0 . . 50012 1 >> 99 1.0 . . 50012 1 >> 100 1.0 . . 50012 1 >> 101 1.0 . . 50012 1 >> 102 1.0 . . 50012 1 >> 103 1.0 . . 50012 1 >> 104 1.0 . . 50012 1 >> 105 1.0 . . 50012 1 >> 106 1.0 . . 50012 1 >> 107 1.0 . . 50012 1 >> 108 1.0 . . 50012 1 >> 109 1.0 . . 50012 1 >> 110 1.0 . . 50012 1 >> 111 1.0 . . 50012 1 >> 112 1.0 . . 50012 1 >> 113 1.0 . . 50012 1 >> 114 1.0 . . 50012 1 >> 115 1.0 . . 50012 1 >> 116 1.0 . . 50012 1 >> 117 1.0 . . 50012 1 >> 118 1.0 . . 50012 1 >> 119 1.0 . . 50012 1 >> 120 1.0 . . 50012 1 >> 121 1.0 . . 50012 1 >> 122 1.0 . . 50012 1 >> 123 1.0 . . 50012 1 >> 124 1.0 . . 50012 1 >> 125 1.0 . . 50012 1 >> 126 1.0 . . 50012 1 >> 127 1.0 . . 50012 1 >> 128 1.0 . . 50012 1 >> 129 1.0 . . 50012 1 >> 130 1.0 . . 50012 1 >> 131 1.0 . . 50012 1 >> 132 1.0 . . 50012 1 >> 133 1.0 . . 50012 1 >> 134 1.0 . . 50012 1 >> 135 1.0 . . 50012 1 >> 136 1.0 . . 50012 1 >> 137 1.0 . . 50012 1 >> 138 1.0 . . 50012 1 >> 139 1.0 . . 50012 1 >> 140 1.0 . . 50012 1 >> 141 1.0 . . 50012 1 >> 142 1.0 . . 50012 1 >> 143 1.0 . . 50012 1 >> 144 1.0 . . 50012 1 >> 145 1.0 . . 50012 1 >> 146 1.0 . . 50012 1 >> 147 1.0 . . 50012 1 >> 148 1.0 . . 50012 1 >> 149 1.0 . . 50012 1 >> 150 1.0 . . 50012 1 >> 151 1.0 . . 50012 1 >> 152 1.0 . . 50012 1 >> 153 1.0 . . 50012 1 >> 154 1.0 . . 50012 1 >> 155 1.0 . . 50012 1 >> 156 1.0 . . 50012 1 >> 157 1.0 . . 50012 1 >> 158 1.0 . . 50012 1 >> 159 1.0 . . 50012 1 >> 160 1.0 . . 50012 1 >> 161 1.0 . . 50012 1 >> 162 1.0 . . 50012 1 >> 163 1.0 . . 50012 1 >> 164 1.0 . . 50012 1 >> 165 1.0 . . 50012 1 >> 166 1.0 . . 50012 1 >> 167 1.0 . . 50012 1 >> 168 1.0 . . 50012 1 >> 169 1.0 . . 50012 1 >> 170 1.0 . . 50012 1 >> 171 1.0 . . 50012 1 >> 172 1.0 . . 50012 1 >> 173 1.0 . . 50012 1 >> 174 1.0 . . 50012 1 >> 175 1.0 . . 50012 1 >> 176 1.0 . . 50012 1 >> 177 1.0 . . 50012 1 >> 178 1.0 . . 50012 1 >> 179 1.0 . . 50012 1 >> 180 1.0 . . 50012 1 >> 181 1.0 . . 50012 1 >> 182 1.0 . . 50012 1 >> 183 1.0 . . 50012 1 >> 184 1.0 . . 50012 1 >> 185 1.0 . . 50012 1 >> 186 1.0 . . 50012 1 >> 187 1.0 . . 50012 1 >> 188 1.0 . . 50012 1 >> 189 1.0 . . 50012 1 >> 190 1.0 . . 50012 1 >> 191 1.0 . . 50012 1 >> 192 1.0 . . 50012 1 >> 193 1.0 . . 50012 1 >> 194 1.0 . . 50012 1 >> 195 1.0 . . 50012 1 >> 196 1.0 . . 50012 1 >> 197 1.0 . . 50012 1 >> 198 1.0 . . 50012 1 >> 199 1.0 . . 50012 1 >> 200 1.0 . . 50012 1 >> 201 1.0 . . 50012 1 >> 202 1.0 . . 50012 1 >> 203 1.0 . . 50012 1 >> 204 1.0 . . 50012 1 >> 205 1.0 . . 50012 1 >> 206 1.0 . . 50012 1 >> 207 1.0 . . 50012 1 >> 208 1.0 . . 50012 1 >> 209 1.0 . . 50012 1 >> 210 1.0 . . 50012 1 >> 211 1.0 . . 50012 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 18047964.0 . height 50012 1 >> 1 156220347.0 . volume 50012 1 >> 2 43552728.0 . height 50012 1 >> 2 375305712.0 . volume 50012 1 >> 3 37760664.0 . height 50012 1 >> 3 326127592.0 . volume 50012 1 >> 4 83740968.0 . height 50012 1 >> 4 718180224.0 . volume 50012 1 >> 5 78283176.0 . height 50012 1 >> 5 672221152.0 . volume 50012 1 >> 6 102079392.0 . height 50012 1 >> 6 875442968.0 . volume 50012 1 >> 7 36977276.0 . height 50012 1 >> 7 319183962.0 . volume 50012 1 >> 8 20970258.0 . height 50012 1 >> 8 181265496.0 . volume 50012 1 >> 9 180167504.0 . height 50012 1 >> 9 1537099472.0 . volume 50012 1 >> 10 48170216.0 . height 50012 1 >> 10 418069580.0 . volume 50012 1 >> 11 47284236.0 . height 50012 1 >> 11 407702680.0 . volume 50012 1 >> 12 118428224.0 . height 50012 1 >> 12 1014162992.0 . volume 50012 1 >> 13 65162816.0 . height 50012 1 >> 13 559948896.0 . volume 50012 1 >> 14 76651160.0 . height 50012 1 >> 14 657692624.0 . volume 50012 1 >> 15 35754452.0 . height 50012 1 >> 15 307637632.0 . volume 50012 1 >> 16 13456115.0 . height 50012 1 >> 16 117745303.0 . volume 50012 1 >> 17 73335072.0 . height 50012 1 >> 17 635611936.0 . volume 50012 1 >> 18 44191520.0 . height 50012 1 >> 18 380576832.0 . volume 50012 1 >> 19 56427484.0 . height 50012 1 >> 19 492950748.0 . volume 50012 1 >> 20 56406112.0 . height 50012 1 >> 20 485230224.0 . volume 50012 1 >> 21 13649669.0 . height 50012 1 >> 21 118952943.0 . volume 50012 1 >> 22 39072192.0 . height 50012 1 >> 22 337298800.0 . volume 50012 1 >> 23 50143908.0 . height 50012 1 >> 23 431757616.0 . volume 50012 1 >> 24 57346632.0 . height 50012 1 >> 24 492388916.0 . volume 50012 1 >> 25 67820440.0 . height 50012 1 >> 25 580947504.0 . volume 50012 1 >> 26 47833808.0 . height 50012 1 >> 26 412143536.0 . volume 50012 1 >> 27 40733512.0 . height 50012 1 >> 27 351330560.0 . volume 50012 1 >> 28 55740624.0 . height 50012 1 >> 28 479312416.0 . volume 50012 1 >> 29 514775136.0 . height 50012 1 >> 29 4321270656.0 . volume 50012 1 >> 30 70207904.0 . height 50012 1 >> 30 603705760.0 . volume 50012 1 >> 31 54971112.0 . height 50012 1 >> 31 474965024.0 . volume 50012 1 >> 32 86351976.0 . height 50012 1 >> 32 739527288.0 . volume 50012 1 >> 33 72615504.0 . height 50012 1 >> 33 623224596.0 . volume 50012 1 >> 34 48329080.0 . height 50012 1 >> 34 415107580.0 . volume 50012 1 >> 35 51418616.0 . height 50012 1 >> 35 443009992.0 . volume 50012 1 >> 36 63012112.0 . height 50012 1 >> 36 542172588.0 . volume 50012 1 >> 37 56709404.0 . height 50012 1 >> 37 488460196.0 . volume 50012 1 >> 38 72833088.0 . height 50012 1 >> 38 624876720.0 . volume 50012 1 >> 39 53004628.0 . height 50012 1 >> 39 456069072.0 . volume 50012 1 >> 40 41859440.0 . height 50012 1 >> 40 359596556.0 . volume 50012 1 >> 41 88646128.0 . height 50012 1 >> 41 759949208.0 . volume 50012 1 >> 42 49930952.0 . height 50012 1 >> 42 433735744.0 . volume 50012 1 >> 43 36980696.0 . height 50012 1 >> 43 319117388.0 . volume 50012 1 >> 44 87993360.0 . height 50012 1 >> 44 754026232.0 . volume 50012 1 >> 45 90202984.0 . height 50012 1 >> 45 783958000.0 . volume 50012 1 >> 46 47241764.0 . height 50012 1 >> 46 407348232.0 . volume 50012 1 >> 47 43404972.0 . height 50012 1 >> 47 374725800.0 . volume 50012 1 >> 48 70510872.0 . height 50012 1 >> 48 610504196.0 . volume 50012 1 >> 49 52960528.0 . height 50012 1 >> 49 457002620.0 . volume 50012 1 >> 50 57353020.0 . height 50012 1 >> 50 493753272.0 . volume 50012 1 >> 51 86691512.0 . height 50012 1 >> 51 743140880.0 . volume 50012 1 >> 52 45463364.0 . height 50012 1 >> 52 391446132.0 . volume 50012 1 >> 53 38408948.0 . height 50012 1 >> 53 331575360.0 . volume 50012 1 >> 54 57965040.0 . height 50012 1 >> 54 500353800.0 . volume 50012 1 >> 55 50567152.0 . height 50012 1 >> 55 435021204.0 . volume 50012 1 >> 56 72527056.0 . height 50012 1 >> 56 626488648.0 . volume 50012 1 >> 57 52079636.0 . height 50012 1 >> 57 448209444.0 . volume 50012 1 >> 58 55940800.0 . height 50012 1 >> 58 486429732.0 . volume 50012 1 >> 59 66361900.0 . height 50012 1 >> 59 571236620.0 . volume 50012 1 >> 60 154301456.0 . height 50012 1 >> 60 1325782016.0 . volume 50012 1 >> 61 49367492.0 . height 50012 1 >> 61 425643912.0 . volume 50012 1 >> 62 46310540.0 . height 50012 1 >> 62 399614928.0 . volume 50012 1 >> 63 99555928.0 . height 50012 1 >> 63 854288312.0 . volume 50012 1 >> 64 68992544.0 . height 50012 1 >> 64 592849968.0 . volume 50012 1 >> 65 62136268.0 . height 50012 1 >> 65 536099036.0 . volume 50012 1 >> 66 44627760.0 . height 50012 1 >> 66 382715848.0 . volume 50012 1 >> 67 87219192.0 . height 50012 1 >> 67 757875560.0 . volume 50012 1 >> 68 54626028.0 . height 50012 1 >> 68 469041084.0 . volume 50012 1 >> 69 60720240.0 . height 50012 1 >> 69 521961900.0 . volume 50012 1 >> 70 66753564.0 . 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24489566.0 . height 50012 1 >> 211 213919392.0 . volume 50012 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 6.148 . 34.9248835978 . . . . . . . . . . . 50012 1 >> 1 2 131.668 . 23.3990108904 . . . . . . . . . . . 50012 1 >> 2 1 9.091 . 33.0230751137 . . . . . . . . . . . 50012 1 >> 2 2 131.154 . 21.9420317163 . . . . . . . . . . . 50012 1 >> 3 1 9.824 . 33.7813149804 . . . . . . . . . . . 50012 1 >> 3 2 131.037 . 22.5159800729 . . . . . . . . . . . 50012 1 >> 4 1 10.462 . 28.6919952399 . . . . . . . . . . . 50012 1 >> 4 2 130.754 . 22.0297458782 . . . . . . . . . . . 50012 1 >> 5 1 10.138 . 28.1842095090 . . . . . . . . . . . 50012 1 >> 5 2 130.494 . 22.9293658375 . . . . . . . . . . . 50012 1 >> 6 1 10.010 . 28.7005920638 . . . . . . . . . . . 50012 1 >> 6 2 130.484 . 21.8434061495 . . . . . . . . . . . 50012 1 >> 7 1 8.921 . 32.8461715822 . . . . . . . . . . . 50012 1 >> 7 2 130.162 . 23.3278435780 . . . . . . . . . . . 50012 1 >> 8 1 9.717 . 34.6356482342 . . . . . . . . . . . 50012 1 >> 8 2 130.119 . 23.6341876146 . . . . . . . . . . . 50012 1 >> 9 1 10.059 . 26.2042654478 . . . . . . . . . . . 50012 1 >> 9 2 129.201 . 21.0345665415 . . . . . . . . . . . 50012 1 >> 10 1 9.225 . 33.6781530938 . . . . . . . . . . . 50012 1 >> 10 2 128.631 . 26.5877103787 . . . . . . . . . . . 50012 1 >> 11 1 7.122 . 32.0176288001 . . . . . . . . . . . 50012 1 >> 11 2 128.579 . 22.7607254225 . . . . . . . . . . . 50012 1 >> 12 1 9.722 . 27.4941711118 . . . . . . . . . . . 50012 1 >> 12 2 128.486 . 21.8014099283 . . . . . . . . . . . 50012 1 >> 13 1 8.458 . 29.6831135137 . . . . . . . . . . . 50012 1 >> 13 2 128.324 . 22.2474241769 . . . . . . . . . . . 50012 1 >> 14 1 10.305 . 28.8948802836 . . . . . . . . . . . 50012 1 >> 14 2 128.130 . 21.9255800244 . . . . . . . . . . . 50012 1 >> 15 1 10.248 . 31.5081237044 . . . . . . . . . . . 50012 1 >> 15 2 127.822 . 21.7977727933 . . . . . . . . . . . 50012 1 >> 16 1 8.944 . 38.5548447236 . . . . . . . . . . . 50012 1 >> 16 2 127.612 . 30.1283343945 . . . . . . . . . . . 50012 1 >> 17 1 8.538 . 29.6628632174 . . . . . . . . . . . 50012 1 >> 17 2 127.566 . 40.7417479883 . . . . . . . . . . . 50012 1 >> 18 1 8.870 . 31.2169779355 . . . . . . . . . . . 50012 1 >> 18 2 127.336 . 22.8900551753 . . . . . . . . . . . 50012 1 >> 19 1 8.546 . 32.6950585223 . . . . . . . . . . . 50012 1 >> 19 2 127.321 . 44.3155714337 . . . . . . . . . . . 50012 1 >> 20 1 9.012 . 30.3007475498 . . . . . . . . . . . 50012 1 >> 20 2 127.255 . 22.9053226837 . . . . . . . . . . . 50012 1 >> 21 1 9.344 . 38.1762023915 . . . . . . . . . . . 50012 1 >> 21 2 126.910 . 26.6915378944 . . . . . . . . . . . 50012 1 >> 22 1 8.757 . 34.0678757766 . . . . . . . . . . . 50012 1 >> 22 2 126.718 . 22.9234660663 . . . . . . . . . . . 50012 1 >> 23 1 9.502 . 33.3430680028 . . . . . . . . . . . 50012 1 >> 23 2 126.508 . 21.7359837911 . . . . . . . . . . . 50012 1 >> 24 1 8.900 . 31.4876823677 . . . . . . . . . . . 50012 1 >> 24 2 126.470 . 21.3279902905 . . . . . . . . . . . 50012 1 >> 25 1 8.840 . 29.2821194396 . . . . . . . . . . . 50012 1 >> 25 2 126.369 . 21.2917035254 . . . . . . . . . . . 50012 1 >> 26 1 9.236 . 32.8794126345 . . . . . . . . . . . 50012 1 >> 26 2 126.073 . 22.1713403884 . . . . . . . . . . . 50012 1 >> 27 1 7.712 . 36.8375813922 . . . . . . . . . . . 50012 1 >> 27 2 126.019 . 21.7565378329 . . . . . . . . . . . 50012 1 >> 28 1 8.930 . 32.6228452017 . . . . . . . . . . . 50012 1 >> 28 2 125.795 . 22.2037785573 . . . . . . . . . . . 50012 1 >> 29 1 7.964 . 23.5090656393 . . . . . . . . . . . 50012 1 >> 29 2 125.798 . 17.6847229426 . . . . . . . . . . . 50012 1 >> 30 1 8.862 . 31.0169584998 . . . . . . . . . . . 50012 1 >> 30 2 125.636 . 21.9465992812 . . . . . . . . . . . 50012 1 >> 31 1 8.226 . 33.7721450350 . . . . . . . . . . . 50012 1 >> 31 2 125.620 . 22.8323262307 . . . . . . . . . . . 50012 1 >> 32 1 8.581 . 28.7114813741 . . . . . . . . . . . 50012 1 >> 32 2 125.576 . 21.1181783535 . . . . . . . . . . . 50012 1 >> 33 1 9.345 . 30.9053908298 . . . . . . . . . . . 50012 1 >> 33 2 125.405 . 21.2826529802 . . . . . . . . . . . 50012 1 >> 34 1 8.514 . 31.3891054538 . . . . . . . . . . . 50012 1 >> 34 2 124.811 . 21.6925073405 . . . . . . . . . . . 50012 1 >> 35 1 9.397 . 32.2873780296 . . . . . . . . . . . 50012 1 >> 35 2 124.663 . 22.2338483592 . . . . . . . . . . . 50012 1 >> 36 1 9.064 . 30.6702199364 . . . . . . . . . . . 50012 1 >> 36 2 124.636 . 22.4634107849 . . . . . . . . . . . 50012 1 >> 37 1 9.181 . 30.9472287060 . . . . . . . . . . . 50012 1 >> 37 2 124.392 . 22.4652293524 . . . . . . . . . . . 50012 1 >> 38 1 8.834 . 30.3177501570 . . . . . . . . . . . 50012 1 >> 38 2 124.134 . 21.4671318492 . . . . . . . . . . . 50012 1 >> 39 1 7.007 . 31.2691320004 . . . . . . . . . . . 50012 1 >> 39 2 123.776 . 22.1319662878 . . . . . . . . . . . 50012 1 >> 40 1 8.231 . 31.3925441833 . . . . . . . . . . . 50012 1 >> 40 2 123.649 . 21.1762456362 . . . . . . . . . . . 50012 1 >> 41 1 8.377 . 29.9903066872 . . . . . . . . . . . 50012 1 >> 41 2 123.541 . 21.4179036503 . . . . . . . . . . . 50012 1 >> 42 1 8.464 . 34.0136202659 . . . . . . . . . . . 50012 1 >> 42 2 123.479 . 55.2099325578 . . . . . . . . . . . 50012 1 >> 43 1 9.472 . 33.9960445371 . . . . . . . . . . . 50012 1 >> 43 2 123.354 . 22.6958913771 . . . . . . . . . . . 50012 1 >> 44 1 8.054 . 29.2135358890 . . . . . . . . . . . 50012 1 >> 44 2 123.303 . 21.4686543708 . . . . . . . . . . . 50012 1 >> 45 1 8.115 . 30.3127831032 . . . . . . . . . . . 50012 1 >> 45 2 123.194 . 30.4401975719 . . . . . . . . . . . 50012 1 >> 46 1 9.246 . 31.5566479993 . . . . . . . . . . . 50012 1 >> 46 2 123.143 . 22.6843032959 . . . . . . . . . . . 50012 1 >> 47 1 8.678 . 34.3341862766 . . . . . . . . . . . 50012 1 >> 47 2 123.137 . 22.4674285503 . . . . . . . . . . . 50012 1 >> 48 1 8.457 . 32.7817909233 . . . . . . . . . . . 50012 1 >> 48 2 123.119 . 49.3715696713 . . . . . . . . . . . 50012 1 >> 49 1 8.278 . 31.4785124222 . . . . . . . . . . . 50012 1 >> 49 2 123.010 . 50.0869010768 . . . . . . . . . . . 50012 1 >> 50 1 8.770 . 31.6909494924 . . . . . . . . . . . 50012 1 >> 50 2 122.868 . 22.2002260069 . . . . . . . . . . . 50012 1 >> 51 1 7.590 . 29.3224289916 . . . . . . . . . . . 50012 1 >> 51 2 122.787 . 21.5213505356 . . . . . . . . . . . 50012 1 >> 52 1 7.675 . 31.7085252213 . . . . . . . . . . . 50012 1 >> 52 2 122.726 . 22.3144151280 . . . . . . . . . . . 50012 1 >> 53 1 7.186 . 36.6981218047 . . . . . . . . . . . 50012 1 >> 53 2 122.729 . 22.0046665639 . . . . . . . . . . . 50012 1 >> 54 1 8.288 . 32.8035695438 . . . . . . . . . . . 50012 1 >> 54 2 122.659 . 48.6635125358 . . . . . . . . . . . 50012 1 >> 55 1 7.546 . 33.3988518378 . . . . . . . . . . . 50012 1 >> 55 2 122.534 . 21.1338687846 . . . . . . . . . . . 50012 1 >> 56 1 8.986 . 31.3453571722 . . . . . . . . . . . 50012 1 >> 56 2 122.463 . 25.6926368381 . . . . . . . . . . . 50012 1 >> 57 1 7.901 . 32.3351381623 . . . . . . . . . . . 50012 1 >> 57 2 122.391 . 22.0390078847 . . . . . . . . . . . 50012 1 >> 58 1 9.005 . 31.7973590681 . . . . . . . . . . . 50012 1 >> 58 2 122.235 . 37.7614965114 . . . . . . . . . . . 50012 1 >> 59 1 8.468 . 30.4786062840 . . . . . . . . . . . 50012 1 >> 59 2 122.194 . 22.9050689301 . . . . . . . . . . . 50012 1 >> 60 1 7.805 . 29.5639042225 . . . . . . . . . . . 50012 1 >> 60 2 121.928 . 22.4607463721 . . . . . . . . . . . 50012 1 >> 61 1 9.092 . 32.0760872025 . . . . . . . . . . . 50012 1 >> 61 2 121.889 . 22.7857201524 . . . . . . . . . . . 50012 1 >> 62 1 8.618 . 32.9384441586 . . . . . . . . . . . 50012 1 >> 62 2 121.853 . 22.9768811996 . . . . . . . . . . . 50012 1 >> 63 1 8.373 . 29.6254192734 . . . . . . . . . . . 50012 1 >> 63 2 121.851 . 21.6831607495 . . . . . . . . . . . 50012 1 >> 64 1 7.473 . 32.1845982240 . . . . . . . . . . . 50012 1 >> 64 2 121.805 . 21.6599845871 . . . . . . . . . . . 50012 1 >> 65 1 8.156 . 29.8863806385 . . . . . . . . . . . 50012 1 >> 65 2 121.733 . 24.4592251609 . . . . . . . . . . . 50012 1 >> 66 1 7.415 . 32.6209347964 . . . . . . . . . . . 50012 1 >> 66 2 121.730 . 21.5079015947 . . . . . . . . . . . 50012 1 >> 67 1 7.977 . 50.3441469198 . . . . . . . . . . . 50012 1 >> 67 2 121.691 . 23.0840498044 . . . . . . . . . . . 50012 1 >> 68 1 8.333 . 30.2543247008 . . . . . . . . . . . 50012 1 >> 68 2 121.476 . 21.7479525027 . . . . . . . . . . . 50012 1 >> 69 1 8.122 . 30.9699625292 . . . . . . . . . . . 50012 1 >> 69 2 121.351 . 22.3556923807 . . . . . . . . . . . 50012 1 >> 70 1 7.733 . 30.6960104080 . . . . . . . . . . . 50012 1 >> 70 2 121.378 . 22.1483756874 . . . . . . . . . . . 50012 1 >> 71 1 9.117 . 32.9384441586 . . . . . . . . . . . 50012 1 >> 71 2 121.152 . 21.8787201925 . . . . . . . . . . . 50012 1 >> 72 1 7.836 . 27.7123393980 . . . . . . . . . . . 50012 1 >> 72 2 121.173 . 25.1251591984 . . . . . . . . . . . 50012 1 >> 73 1 8.984 . 34.2394301733 . . . . . . . . . . . 50012 1 >> 73 2 121.119 . 23.8100388612 . . . . . . . . . . . 50012 1 >> 74 1 8.057 . 31.4410684781 . . . . . . . . . . . 50012 1 >> 74 2 121.090 . 21.8890395057 . . . . . . . . . . . 50012 1 >> 75 1 7.904 . 29.7656430230 . . . . . . . . . . . 50012 1 >> 75 2 121.102 . 21.6753789724 . . . . . . . . . . . 50012 1 >> 76 1 7.562 . 30.1347333285 . . . . . . . . . . . 50012 1 >> 76 2 121.104 . 20.8549935755 . . . . . . . . . . . 50012 1 >> 77 1 9.491 . 31.3785982246 . . . . . . . . . . . 50012 1 >> 77 2 121.001 . 21.6357934104 . . . . . . . . . . . 50012 1 >> 78 1 9.332 . 32.1588077524 . . . . . . . . . . . 50012 1 >> 78 2 120.950 . 23.9507029415 . . . . . . . . . . . 50012 1 >> 79 1 8.841 . 29.5243588326 . . . . . . . . . . . 50012 1 >> 79 2 120.701 . 22.6684859880 . . . . . . . . . . . 50012 1 >> 80 1 7.994 . 29.6620990553 . . . . . . . . . . . 50012 1 >> 80 2 120.588 . 21.7429620152 . . . . . . . . . . . 50012 1 >> 81 1 10.785 . 35.1649260248 . . . . . . . . . . . 50012 1 >> 81 2 120.550 . 22.5159800729 . . . . . . . . . . . 50012 1 >> 82 1 8.125 . 42.3227371126 . . . . . . . . . . . 50012 1 >> 82 2 120.457 . 23.5953633134 . . . . . . . . . . . 50012 1 >> 83 1 7.877 . 29.8760644498 . . . . . . . . . . . 50012 1 >> 83 2 120.324 . 21.8384579542 . . . . . . . . . . . 50012 1 >> 84 1 8.556 . 29.1397942441 . . . . . . . . . . . 50012 1 >> 84 2 120.241 . 21.8925074716 . . . . . . . . . . . 50012 1 >> 85 1 7.043 . 31.0570770112 . . . . . . . . . . . 50012 1 >> 85 2 120.213 . 22.5456692444 . . . . . . . . . . . 50012 1 >> 86 1 9.907 . 34.0002474287 . . . . . . . . . . . 50012 1 >> 86 2 120.182 . 22.9419477870 . . . . . . . . . . . 50012 1 >> 87 1 8.100 . 33.0641488278 . . . . . . . . . . . 50012 1 >> 87 2 120.157 . 49.7441645443 . . . . . . . . . . . 50012 1 >> 88 1 8.222 . 36.3466072280 . . . . . . . . . . . 50012 1 >> 88 2 120.106 . 22.2366819411 . . . . . . . . . . . 50012 1 >> 89 1 8.824 . 35.7660350549 . . . . . . . . . . . 50012 1 >> 89 2 120.024 . 23.1086639038 . . . . . . . . . . . 50012 1 >> 90 1 7.790 . 31.0058781490 . . . . . . . . . . . 50012 1 >> 90 2 119.985 . 22.4862909014 . . . . . . . . . . . 50012 1 >> 91 1 8.423 . 29.6181597332 . . . . . . . . . . . 50012 1 >> 91 2 119.976 . 41.1756666486 . . . . . . . . . . . 50012 1 >> 92 1 8.694 . 33.7931594934 . . . . . . . . . . . 50012 1 >> 92 2 119.909 . 24.5060849928 . . . . . . . . . . . 50012 1 >> 93 1 8.777 . 31.5484332564 . . . . . . . . . . . 50012 1 >> 93 2 119.744 . 21.8553748611 . . . . . . . . . . . 50012 1 >> 94 1 7.566 . 29.4041943387 . . . . . . . . . . . 50012 1 >> 94 2 119.736 . 21.5708324881 . . . . . . . . . . . 50012 1 >> 95 1 8.049 . 31.8235316208 . . . . . . . . . . . 50012 1 >> 95 2 119.699 . 22.1566649718 . . . . . . . . . . . 50012 1 >> 96 1 8.834 . 80.8057505965 . . . . . . . . . . . 50012 1 >> 96 2 119.637 . 23.4338914377 . . . . . . . . . . . 50012 1 >> 97 1 8.633 . 28.9854334952 . . . . . . . . . . . 50012 1 >> 97 2 119.582 . 22.8068662859 . . . . . . . . . . . 50012 1 >> 98 1 7.772 . 46.4622033339 . . . . . . . . . . . 50012 1 >> 98 2 119.589 . 22.9978581641 . . . . . . . . . . . 50012 1 >> 99 1 8.302 . 30.4361952861 . . . . . . . . . . . 50012 1 >> 99 2 119.532 . 39.1989260851 . . . . . . . . . . . 50012 1 >> 100 1 8.044 . 29.3132590461 . . . . . . . . . . . 50012 1 >> 100 2 119.277 . 21.9991685691 . . . . . . . . . . . 50012 1 >> 101 1 7.925 . 29.5371585482 . . . . . . . . . . . 50012 1 >> 101 2 119.235 . 22.2172274982 . . . . . . . . . . . 50012 1 >> 102 1 7.682 . 29.5933244642 . . . . . . . . . . . 50012 1 >> 102 2 119.170 . 21.5103545462 . . . . . . . . . . . 50012 1 >> 103 1 7.379 . 29.7132979176 . . . . . . . . . . . 50012 1 >> 103 2 119.050 . 22.4139711247 . . . . . . . . . . . 50012 1 >> 104 1 8.262 . 31.0513457953 . . . . . . . . . . . 50012 1 >> 104 2 118.838 . 22.4726727914 . . . . . . . . . . . 50012 1 >> 105 1 8.076 . 31.9973785038 . . . . . . . . . . . 50012 1 >> 105 2 118.688 . 26.0418017952 . . . . . . . . . . . 50012 1 >> 106 1 9.055 . 30.3735339920 . . . . . . . . . . . 50012 1 >> 106 2 118.624 . 21.9645734947 . . . . . . . . . . . 50012 1 >> 107 1 8.188 . 33.6579027976 . . . . . . . . . . . 50012 1 >> 107 2 118.444 . 22.8678517351 . . . . . . . . . . . 50012 1 >> 108 1 8.840 . 34.5191135104 . . . . . . . . . . . 50012 1 >> 108 2 118.409 . 21.8680625412 . . . . . . . . . . . 50012 1 >> 109 1 7.409 . 30.0330997661 . . . . . . . . . . . 50012 1 >> 109 2 118.348 . 22.1560728800 . . . . . . . . . . . 50012 1 >> 110 1 8.896 . 33.7935415744 . . . . . . . . . . . 50012 1 >> 110 2 118.214 . 28.2527569338 . . . . . . . . . . . 50012 1 >> 111 1 8.089 . 30.2948252933 . . . . . . . . . . . 50012 1 >> 111 2 118.105 . 23.1772619610 . . . . . . . . . . . 50012 1 >> 112 1 7.694 . 30.1737055968 . . . . . . . . . . . 50012 1 >> 112 2 118.112 . 22.2859101400 . . . . . . . . . . . 50012 1 >> 113 1 8.573 . 29.5039174958 . . . . . . . . . . . 50012 1 >> 113 2 117.855 . 21.3960808405 . . . . . . . . . . . 50012 1 >> 114 1 8.216 . 36.3657112811 . . . . . . . . . . . 50012 1 >> 114 2 117.852 . 23.2010302151 . . . . . . . . . . . 50012 1 >> 115 1 8.998 . 29.4164209327 . . . . . . . . . . . 50012 1 >> 115 2 117.813 . 22.5262993861 . . . . . . . . . . . 50012 1 >> 116 1 7.253 . 30.6585664640 . . . . . . . . . . . 50012 1 >> 116 2 117.750 . 23.2235297012 . . . . . . . . . . . 50012 1 >> 117 1 7.329 . 29.7144441608 . . . . . . . . . . . 50012 1 >> 117 2 117.690 . 22.3791222966 . . . . . . . . . . . 50012 1 >> 118 1 8.297 . 30.9508584761 . . . . . . . . . . . 50012 1 >> 118 2 117.646 . 22.3551002889 . . . . . . . . . . . 50012 1 >> 119 1 8.164 . 28.9132201746 . . . . . . . . . . . 50012 1 >> 119 2 117.625 . 21.9514628919 . . . . . . . . . . . 50012 1 >> 120 1 7.219 . 30.4801346082 . . . . . . . . . . . 50012 1 >> 120 2 117.474 . 22.3863965666 . . . . . . . . . . . 50012 1 >> 121 1 6.580 . 33.6170201240 . . . . . . . . . . . 50012 1 >> 121 2 117.423 . 22.6030175586 . . . . . . . . . . . 50012 1 >> 122 1 8.735 . 30.0747466019 . . . . . . . . . . . 50012 1 >> 122 2 117.099 . 21.7887222481 . . . . . . . . . . . 50012 1 >> 123 1 6.743 . 30.0243119017 . . . . . . . . . . . 50012 1 >> 123 2 116.989 . 21.6034821183 . . . . . . . . . . . 50012 1 >> 124 1 8.655 . 33.0244123974 . . . . . . . . . . . 50012 1 >> 124 2 116.860 . 21.9721015182 . . . . . . . . . . . 50012 1 >> 125 1 7.668 . 32.1979710612 . . . . . . . . . . . 50012 1 >> 125 2 116.693 . 22.4425606973 . . . . . . . . . . . 50012 1 >> 126 1 6.486 . 41.2303673574 . . . . . . . . . . . 50012 1 >> 126 2 116.598 . 23.1731173189 . . . . . . . . . . . 50012 1 >> 127 1 8.303 . 31.3337036998 . . . . . . . . . . . 50012 1 >> 127 2 116.553 . 21.4358355716 . . . . . . . . . . . 50012 1 >> 128 1 7.741 . 31.9721611538 . . . . . . . . . . . 50012 1 >> 128 2 116.487 . 23.2525421965 . . . . . . . . . . . 50012 1 >> 129 1 8.331 . 29.2704659672 . . . . . . . . . . . 50012 1 >> 129 2 116.273 . 21.1753997909 . . . . . . . . . . . 50012 1 >> 130 1 8.426 . 30.8255358879 . . . . . . . . . . . 50012 1 >> 130 2 115.994 . 22.0412916672 . . . . . . . . . . . 50012 1 >> 131 1 7.748 . 31.3600672931 . . . . . . . . . . . 50012 1 >> 131 2 115.980 . 35.8910787073 . . . . . . . . . . . 50012 1 >> 132 1 7.808 . 30.4808987703 . . . . . . . . . . . 50012 1 >> 132 2 115.791 . 21.9997606609 . . . . . . . . . . . 50012 1 >> 133 1 7.738 . 31.0666290378 . . . . . . . . . . . 50012 1 >> 133 2 115.727 . 47.0573368165 . . . . . . . . . . . 50012 1 >> 134 1 9.452 . 53.7215524638 . . . . . . . . . . . 50012 1 >> 134 2 115.707 . 23.1424977175 . . . . . . . . . . . 50012 1 >> 135 1 8.508 . 33.0267048838 . . . . . . . . . . . 50012 1 >> 135 2 115.661 . 22.2800738071 . . . . . . . . . . . 50012 1 >> 136 1 8.120 . 33.7366114962 . . . . . . . . . . . 50012 1 >> 136 2 115.640 . 23.5136546534 . . . . . . . . . . . 50012 1 >> 137 1 7.979 . 28.8536155290 . . . . . . . . . . . 50012 1 >> 137 2 115.056 . 22.3830977697 . . . . . . . . . . . 50012 1 >> 138 1 8.417 . 36.0944337274 . . . . . . . . . . . 50012 1 >> 138 2 115.014 . 25.4690799143 . . . . . . . . . . . 50012 1 >> 139 1 7.592 . 32.6790111177 . . . . . . . . . . . 50012 1 >> 139 2 115.014 . 21.2696269619 . . . . . . . . . . . 50012 1 >> 140 1 7.748 . 28.5647622464 . . . . . . . . . . . 50012 1 >> 140 2 114.892 . 21.3070133260 . . . . . . . . . . . 50012 1 >> 141 1 8.533 . 29.7686996715 . . . . . . . . . . . 50012 1 >> 141 2 114.776 . 21.8618878702 . . . . . . . . . . . 50012 1 >> 142 1 7.537 . 28.4868177098 . . . . . . . . . . . 50012 1 >> 142 2 114.763 . 20.8533018848 . . . . . . . . . . . 50012 1 >> 143 1 6.599 . 30.1354974906 . . . . . . . . . . . 50012 1 >> 143 2 114.655 . 21.5260872695 . . . . . . . . . . . 50012 1 >> 144 1 7.261 . 32.4554936967 . . . . . . . . . . . 50012 1 >> 144 2 114.566 . 22.2771979330 . . . . . . . . . . . 50012 1 >> 145 1 8.048 . 31.0295671748 . . . . . . . . . . . 50012 1 >> 145 2 114.258 . 26.6556317596 . . . . . . . . . . . 50012 1 >> 146 1 8.851 . 37.9225005666 . . . . . . . . . . . 50012 1 >> 146 2 114.077 . 25.7967603997 . . . . . . . . . . . 50012 1 >> 147 1 8.628 . 32.6847423337 . . . . . . . . . . . 50012 1 >> 147 2 114.005 . 24.3701576464 . . . . . . . . . . . 50012 1 >> 148 1 7.158 . 30.7154965422 . . . . . . . . . . . 50012 1 >> 148 2 113.686 . 21.5682103676 . . . . . . . . . . . 50012 1 >> 149 1 7.402 . 31.7058506538 . . . . . . . . . . . 50012 1 >> 149 2 113.641 . 21.0491996659 . . . . . . . . . . . 50012 1 >> 150 1 8.572 . 32.7993666521 . . . . . . . . . . . 50012 1 >> 150 2 113.469 . 22.0926344794 . . . . . . . . . . . 50012 1 >> 151 1 8.398 . 32.1769566028 . . . . . . . . . . . 50012 1 >> 151 2 113.012 . 22.5859314827 . . . . . . . . . . . 50012 1 >> 152 1 8.267 . 29.0022450619 . . . . . . . . . . . 50012 1 >> 152 2 112.835 . 21.2297030618 . . . . . . . . . . . 50012 1 >> 153 1 8.912 . 32.0734126351 . . . . . . . . . . . 50012 1 >> 153 2 112.749 . 23.7799267670 . . . . . . . . . . . 50012 1 >> 154 1 7.787 . 29.8519933429 . . . . . . . . . . . 50012 1 >> 154 2 112.335 . 21.3927820437 . . . . . . . . . . . 50012 1 >> 155 1 6.056 . 30.2164986757 . . . . . . . . . . . 50012 1 >> 155 2 112.283 . 21.9410589942 . . . . . . . . . . . 50012 1 >> 156 1 7.716 . 32.7817909233 . . . . . . . . . . . 50012 1 >> 156 2 112.203 . 22.5121737689 . . . . . . . . . . . 50012 1 >> 157 1 7.429 . 27.8418648778 . . . . . . . . . . . 50012 1 >> 157 2 112.091 . 25.2185405241 . . . . . . . . . . . 50012 1 >> 158 1 6.831 . 31.4819511517 . . . . . . . . . . . 50012 1 >> 158 2 112.056 . 27.0963171827 . . . . . . . . . . . 50012 1 >> 159 1 7.542 . 28.3645517701 . . . . . . . . . . . 50012 1 >> 159 2 112.026 . 21.1689713663 . . . . . . . . . . . 50012 1 >> 160 1 7.408 . 29.1524029191 . . . . . . . . . . . 50012 1 >> 160 2 111.755 . 26.9662261691 . . . . . . . . . . . 50012 1 >> 161 1 8.698 . 30.7930589977 . . . . . . . . . . . 50012 1 >> 161 2 111.678 . 23.6066976410 . . . . . . . . . . . 50012 1 >> 162 1 9.390 . 33.0056904254 . . . . . . . . . . . 50012 1 >> 162 2 111.397 . 22.1366184372 . . . . . . . . . . . 50012 1 >> 163 1 7.783 . 29.7285811600 . . . . . . . . . . . 50012 1 >> 163 2 110.995 . 22.8342716750 . . . . . . . . . . . 50012 1 >> 164 1 7.699 . 31.2752452974 . . . . . . . . . . . 50012 1 >> 164 2 110.444 . 21.6079650986 . . . . . . . . . . . 50012 1 >> 165 1 6.848 . 31.0899359825 . . . . . . . . . . . 50012 1 >> 165 2 110.420 . 21.2396840369 . . . . . . . . . . . 50012 1 >> 166 1 8.990 . 31.1619582626 . . . . . . . . . . . 50012 1 >> 166 2 110.263 . 21.5868189651 . . . . . . . . . . . 50012 1 >> 167 1 7.659 . 28.3282540693 . . . . . . . . . . . 50012 1 >> 167 2 110.061 . 22.3034191386 . . . . . . . . . . . 50012 1 >> 168 1 7.894 . 29.3300706128 . . . . . . . . . . . 50012 1 >> 168 2 109.998 . 21.8513993880 . . . . . . . . . . . 50012 1 >> 169 1 8.624 . 31.5843488762 . . . . . . . . . . . 50012 1 >> 169 2 109.352 . 23.1015588030 . . . . . . . . . . . 50012 1 >> 170 1 8.262 . 27.1113258881 . . . . . . . . . . . 50012 1 >> 170 2 108.805 . 20.6271228404 . . . . . . . . . . . 50012 1 >> 171 1 6.787 . 41.8692068924 . . . . . . . . . . . 50012 1 >> 171 2 108.767 . 20.6518215244 . . . . . . . . . . . 50012 1 >> 172 1 7.388 . 32.1154415519 . . . . . . . . . . . 50012 1 >> 172 2 108.719 . 23.8866724491 . . . . . . . . . . . 50012 1 >> 173 1 7.491 . 31.9083536165 . . . . . . . . . . . 50012 1 >> 173 2 108.490 . 22.2712770156 . . . . . . . . . . . 50012 1 >> 174 1 8.116 . 30.4476577180 . . . . . . . . . . . 50012 1 >> 174 2 108.425 . 21.5331923704 . . . . . . . . . . . 50012 1 >> 175 1 8.427 . 30.0575529541 . . . . . . . . . . . 50012 1 >> 175 2 108.006 . 22.1484602720 . . . . . . . . . . . 50012 1 >> 176 1 7.503 . 31.9144669135 . . . . . . . . . . . 50012 1 >> 176 2 107.096 . 21.9439348683 . . . . . . . . . . . 50012 1 >> 177 1 7.191 . 29.6842597569 . . . . . . . . . . . 50012 1 >> 177 2 106.511 . 21.0451396083 . . . . . . . . . . . 50012 1 >> 178 1 8.193 . 30.8171301045 . . . . . . . . . . . 50012 1 >> 178 2 106.233 . 21.9371681056 . . . . . . . . . . . 50012 1 >> 179 1 8.720 . 33.0047352227 . . . . . . . . . . . 50012 1 >> 179 2 106.110 . 22.6475090235 . . . . . . . . . . . 50012 1 >> 180 1 7.694 . 29.8947864218 . . . . . . . . . . . 50012 1 >> 180 2 106.033 . 21.1672796756 . . . . . . . . . . . 50012 1 >> 181 1 6.869 . 32.1888011157 . . . . . . . . . . . 50012 1 >> 181 2 103.912 . 22.4382468860 . . . . . . . . . . . 50012 1 >> 182 1 6.879 . 28.4673315757 . . . . . . . . . . . 50012 1 >> 182 2 102.978 . 22.4160857381 . . . . . . . . . . . 50012 1 >> 183 1 7.486 . 29.8707153150 . . . . . . . . . . . 50012 1 >> 183 2 102.415 . 21.7290901515 . . . . . . . . . . . 50012 1 >> 184 1 7.316 . 30.4147987467 . . . . . . . . . . . 50012 1 >> 184 2 99.749 . 21.7092973706 . . . . . . . . . . . 50012 1 >> 185 1 8.064 . 34.2971244136 . . . . . . . . . . . 50012 1 >> 185 2 114.429 . 33.1659341855 . . . . . . . . . . . 50012 1 >> 186 1 8.242 . 34.3338041955 . . . . . . . . . . . 50012 1 >> 186 2 119.934 . 27.2819802352 . . . . . . . . . . . 50012 1 >> 187 1 8.432 . 32.4153751852 . . . . . . . . . . . 50012 1 >> 187 2 119.722 . 45.1475026195 . . . . . . . . . . . 50012 1 >> 188 1 8.119 . 35.0498241050 . . . . . . . . . . . 50012 1 >> 188 2 123.409 . 43.0860083528 . . . . . . . . . . . 50012 1 >> 189 1 9.136 . 36.1895719117 . . . . . . . . . . . 50012 1 >> 189 2 128.259 . 23.9799691903 . . . . . . . . . . . 50012 1 >> 190 1 9.121 . 37.4821521431 . . . . . . . . . . . 50012 1 >> 190 2 128.212 . 22.9109898475 . . . . . . . . . . . 50012 1 >> 191 1 8.132 . 47.4116747720 . . . . . . . . . . . 50012 1 >> 191 2 120.343 . 28.9449121769 . . . . . . . . . . . 50012 1 >> 192 1 8.094 . 59.7739075201 . . . . . . . . . . . 50012 1 >> 192 2 120.394 . 46.0789475098 . . . . . . . . . . . 50012 1 >> 193 1 7.628 . 35.0773339414 . . . . . . . . . . . 50012 1 >> 193 2 119.439 . 22.5626707358 . . . . . . . . . . . 50012 1 >> 194 1 7.642 . 36.4925621936 . . . . . . . . . . . 50012 1 >> 194 2 119.357 . 28.0325833914 . . . . . . . . . . . 50012 1 >> 195 1 8.427 . 37.2777387752 . . . . . . . . . . . 50012 1 >> 195 2 114.900 . 29.3904189184 . . . . . . . . . . . 50012 1 >> 196 1 8.412 . 37.3480416905 . . . . . . . . . . . 50012 1 >> 196 2 115.002 . 25.7625882479 . . . . . . . . . . . 50012 1 >> 197 1 7.839 . 32.0474311229 . . . . . . . . . . . 50012 1 >> 197 2 120.945 . 44.4711646843 . . . . . . . . . . . 50012 1 >> 198 1 8.085 . 33.8623161655 . . . . . . . . . . . 50012 1 >> 198 2 118.518 . 35.2687902895 . . . . . . . . . . . 50012 1 >> 199 1 8.515 . 34.2096278505 . . . . . . . . . . . 50012 1 >> 199 2 118.275 . 25.7689320880 . . . . . . . . . . . 50012 1 >> 200 1 8.509 . 33.3247281118 . . . . . . . . . . . 50012 1 >> 200 2 118.364 . 23.2630306787 . . . . . . . . . . . 50012 1 >> 201 1 8.310 . 41.3037269213 . . . . . . . . . . . 50012 1 >> 201 2 116.117 . 54.6884689046 . . . . . . . . . . . 50012 1 >> 202 1 7.802 . 29.8623095316 . . . . . . . . . . . 50012 1 >> 202 2 121.849 . 25.7305307094 . . . . . . . . . . . 50012 1 >> 203 1 8.065 . 34.2677041719 . . . . . . . . . . . 50012 1 >> 203 2 118.825 . 33.9738856559 . . . . . . . . . . . 50012 1 >> 204 1 10.249 . 32.4866333032 . . . . . . . . . . . 50012 1 >> 204 2 127.428 . 60.5837148903 . . . . . . . . . . . 50012 1 >> 205 1 8.915 . 36.3555861330 . . . . . . . . . . . 50012 1 >> 205 2 118.067 . 31.4424397173 . . . . . . . . . . . 50012 1 >> 206 1 6.441 . 65.3446493983 . . . . . . . . . . . 50012 1 >> 206 2 116.510 . 20.7095927612 . . . . . . . . . . . 50012 1 >> 207 1 6.827 . 31.9557316681 . . . . . . . . . . . 50012 1 >> 207 2 112.184 . 32.4574541273 . . . . . . . . . . . 50012 1 >> 208 1 8.007 . 58.9638956696 . . . . . . . . . . . 50012 1 >> 208 2 121.683 . 22.4206533029 . . . . . . . . . . . 50012 1 >> 209 1 8.305 . 30.9634671511 . . . . . . . . . . . 50012 1 >> 209 2 119.318 . 43.1944457256 . . . . . . . . . . . 50012 1 >> 210 1 7.741 . 52.2022071224 . . . . . . . . . . . 50012 1 >> 210 2 119.593 . 22.7544238747 . . . . . . . . . . . 50012 1 >> 211 1 9.489 . 66.8424071598 . . . . . . . . . . . 50012 1 >> 211 2 115.785 . 23.5755705324 . . . . . . . . . . . 50012 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 1 . . 6.148 . . . . 1 1 139 HIS H . . . . . . . . . . 187 . 50012 1 >> 1 2 1 . . 131.668 . . . . 1 1 139 HIS N . . . . . . . . . . 188 . 50012 1 >> 2 1 1 . . 9.091 . . . . 1 1 131 GLU H . . . . . . . . . . 151 . 50012 1 >> 2 2 1 . . 131.154 . . . . 1 1 131 GLU N . . . . . . . . . . 152 . 50012 1 >> 3 1 1 . . 9.824 . . . . 1 1 147 TRP H . . . . . . . . . . 387 . 50012 1 >> 3 2 1 . . 131.037 . . . . 1 1 147 TRP N . . . . . . . . . . 388 . 50012 1 >> 4 1 1 . . 10.462 . . . . 1 1 176 TRP HE1 . . . . . . . . . . 39 . 50012 1 >> 4 2 1 . . 130.754 . . . . 1 1 176 TRP NE1 . . . . . . . . . . 40 . 50012 1 >> 5 1 1 . . 10.138 . . . . 1 1 88 TRP HE1 . . . . . . . . . . 53 . 50012 1 >> 5 2 1 . . 130.494 . . . . 1 1 88 TRP NE1 . . . . . . . . . . 54 . 50012 1 >> 6 1 1 . . 10.010 . . . . 1 1 124 TRP HE1 . . . . . . . . . . 127 . 50012 1 >> 6 2 1 . . 130.484 . . . . 1 1 124 TRP NE1 . . . . . . . . . . 128 . 50012 1 >> 7 1 1 . . 8.921 . . . . 1 1 12 LEU H . . . . . . . . . . 167 . 50012 1 >> 7 2 1 . . 130.162 . . . . 1 1 12 LEU N . . . . . . . . . . 168 . 50012 1 >> 8 1 1 . . 9.717 . . . . 1 1 34 HIS H . . . . . . . . . . 193 . 50012 1 >> 8 2 1 . . 130.119 . . . . 1 1 34 HIS N . . . . . . . . . . 194 . 50012 1 >> 9 1 1 . . 10.059 . . . . 1 1 28 TRP HE1 . . . . . . . . . . 209 . 50012 1 >> 9 2 1 . . 129.201 . . . . 1 1 28 TRP NE1 . . . . . . . . . . 210 . 50012 1 >> 10 1 1 . . 9.225 . . . . 1 1 132 VAL H . . . . . . . . . . 41 . 50012 1 >> 10 2 1 . . 128.631 . . . . 1 1 132 VAL N . . . . . . . . . . 42 . 50012 1 >> 11 1 1 . . 7.122 . . . . 1 1 125 LEU H . . . . . . . . . . 375 . 50012 1 >> 11 2 1 . . 128.579 . . . . 1 1 125 LEU N . . . . . . . . . . 376 . 50012 1 >> 12 1 1 . . 9.722 . . . . 1 1 62 TRP HE1 . . . . . . . . . . 392 . 50012 1 >> 12 2 1 . . 128.486 . . . . 1 1 62 TRP NE1 . . . . . . . . . . 393 . 50012 1 >> 13 1 1 . . 8.458 . . . . 1 1 124 TRP H . . . . . . . . . . 113 . 50012 1 >> 13 2 1 . . 128.324 . . . . 1 1 124 TRP N . . . . . . . . . . 114 . 50012 1 >> 14 1 1 . . 10.305 . . . . 1 1 147 TRP HE1 . . . . . . . . . . 339 . 50012 1 >> 14 2 1 . . 128.130 . . . . 1 1 147 TRP NE1 . . . . . . . . . . 340 . 50012 1 >> 15 1 1 . . 10.248 . . . . 1 1 155 PHE H . . . . . . . . . . 456 . 50012 1 >> 15 2 1 . . 127.822 . . . . 1 1 155 PHE N . . . . . . . . . . 457 . 50012 1 >> 16 1 1 . . 8.944 . . . . 1 1 26 ASN H . . . . . . . . . . 245 . 50012 1 >> 16 2 1 . . 127.612 . . . . 1 1 26 ASN N . . . . . . . . . . 246 . 50012 1 >> 17 1 1 . . 8.538 . . . . 1 1 25 VAL H . . . . . . . . . . 259 . 50012 1 >> 17 2 1 . . 127.566 . . . . 1 1 25 VAL N . . . . . . . . . . 260 . 50012 1 >> 18 1 1 . . 8.870 . . . . 1 1 33 LYS H . . . . . . . . . . 123 . 50012 1 >> 18 2 1 . . 127.336 . . . . 1 1 33 LYS N . . . . . . . . . . 124 . 50012 1 >> 19 1 1 . . 8.546 . . . . 1 1 71 LYS H . . . . . . . . . . 145 . 50012 1 >> 19 2 1 . . 127.321 . . . . 1 1 71 LYS N . . . . . . . . . . 146 . 50012 1 >> 20 1 1 . . 9.012 . . . . 1 1 11 LYS H . . . . . . . . . . 161 . 50012 1 >> 20 2 1 . . 127.255 . . . . 1 1 11 LYS N . . . . . . . . . . 162 . 50012 1 >> 21 1 1 . . 9.344 . . . . 1 1 53 ALA H . . . . . . . . . . 205 . 50012 1 >> 21 2 1 . . 126.910 . . . . 1 1 53 ALA N . . . . . . . . . . 206 . 50012 1 >> 22 1 1 . . 8.757 . . . . 1 1 154 LEU H . . . . . . . . . . 223 . 50012 1 >> 22 2 1 . . 126.718 . . . . 1 1 154 LEU N . . . . . . . . . . 224 . 50012 1 >> 23 1 1 . . 9.502 . . . . 1 1 17 PHE H . . . . . . . . . . 17 . 50012 1 >> 23 2 1 . . 126.508 . . . . 1 1 17 PHE N . . . . . . . . . . 18 . 50012 1 >> 24 1 1 . . 8.900 . . . . 1 1 38 VAL H . . . . . . . . . . 219 . 50012 1 >> 24 2 1 . . 126.470 . . . . 1 1 38 VAL N . . . . . . . . . . 220 . 50012 1 >> 25 1 1 . . 8.840 . . . . 1 1 24 GLU H . . . . . . . . . . 119 . 50012 1 >> 25 2 1 . . 126.369 . . . . 1 1 24 GLU N . . . . . . . . . . 120 . 50012 1 >> 26 1 1 . . 9.236 . . . . 1 1 47 ILE H . . . . . . . . . . 142 . 50012 1 >> 26 2 1 . . 126.073 . . . . 1 1 47 ILE N . . . . . . . . . . 143 . 50012 1 >> 27 1 1 . . 7.712 . . . . 1 1 148 LEU H . . . . . . . . . . 157 . 50012 1 >> 27 2 1 . . 126.019 . . . . 1 1 148 LEU N . . . . . . . . . . 158 . 50012 1 >> 28 1 1 . . 8.930 . . . . 1 1 39 LEU H . . . . . . . . . . 183 . 50012 1 >> 28 2 1 . . 125.795 . . . . 1 1 39 LEU N . . . . . . . . . . 184 . 50012 1 >> 29 1 1 . . 7.964 . . . . 1 1 228 ASN H . . . . . . . . . . 199 . 50012 1 >> 29 2 1 . . 125.798 . . . . 1 1 228 ASN N . . . . . . . . . . 200 . 50012 1 >> 30 1 1 . . 8.862 . . . . 1 1 10 GLU H . . . . . . . . . . 221 . 50012 1 >> 30 2 1 . . 125.636 . . . . 1 1 10 GLU N . . . . . . . . . . 222 . 50012 1 >> 31 1 1 . . 8.226 . . . . 1 1 19 HIS H . . . . . . . . . . 13 . 50012 1 >> 31 2 1 . . 125.620 . . . . 1 1 19 HIS N . . . . . . . . . . 14 . 50012 1 >> 32 1 1 . . 8.581 . . . . 1 1 120 GLU H . . . . . . . . . . 107 . 50012 1 >> 32 2 1 . . 125.576 . . . . 1 1 120 GLU N . . . . . . . . . . 108 . 50012 1 >> 33 1 1 . . 9.345 . . . . 1 1 40 VAL H . . . . . . . . . . 137 . 50012 1 >> 33 2 1 . . 125.405 . . . . 1 1 40 VAL N . . . . . . . . . . 138 . 50012 1 >> 34 1 1 . . 8.514 . . . . 1 1 213 ALA H . . . . . . . . . . 153 . 50012 1 >> 34 2 1 . . 124.811 . . . . 1 1 213 ALA N . . . . . . . . . . 154 . 50012 1 >> 35 1 1 . . 9.397 . . . . 1 1 193 VAL H . . . . . . . . . . 177 . 50012 1 >> 35 2 1 . . 124.663 . . . . 1 1 193 VAL N . . . . . . . . . . 178 . 50012 1 >> 36 1 1 . . 9.064 . . . . 1 1 64 VAL H . . . . . . . . . . 197 . 50012 1 >> 36 2 1 . . 124.636 . . . . 1 1 64 VAL N . . . . . . . . . . 198 . 50012 1 >> 37 1 1 . . 9.181 . . . . 1 1 41 ASN H . . . . . . . . . . 217 . 50012 1 >> 37 2 1 . . 124.392 . . . . 1 1 41 ASN N . . . . . . . . . . 218 . 50012 1 >> 38 1 1 . . 8.834 . . . . 1 1 70 ILE H . . . . . . . . . . 9 . 50012 1 >> 38 2 1 . . 124.134 . . . . 1 1 70 ILE N . . . . . . . . . . 10 . 50012 1 >> 39 1 1 . . 7.007 . . . . 1 1 207 LYS H . . . . . . . . . . 335 . 50012 1 >> 39 2 1 . . 123.776 . . . . 1 1 207 LYS N . . . . . . . . . . 336 . 50012 1 >> 40 1 1 . . 8.231 . . . . 1 1 195 SER H . . . . . . . . . . 357 . 50012 1 >> 40 2 1 . . 123.649 . . . . 1 1 195 SER N . . . . . . . . . . 358 . 50012 1 >> 41 1 1 . . 8.377 . . . . 1 1 43 ASP H . . . . . . . . . . 377 . 50012 1 >> 41 2 1 . . 123.541 . . . . 1 1 43 ASP N . . . . . . . . . . 378 . 50012 1 >> 42 1 1 . . 8.464 . . . . 1 1 115 LYS H . . . . . . . . . . 11 . 50012 1 >> 42 2 1 . . 123.479 . . . . 1 1 115 LYS N . . . . . . . . . . 12 . 50012 1 >> 43 1 1 . . 9.472 . . . . 1 1 191 LYS H . . . . . . . . . . 409 . 50012 1 >> 43 2 1 . . 123.354 . . . . 1 1 191 LYS N . . . . . . . . . . 410 . 50012 1 >> 44 1 1 . . 8.054 . . . . 1 1 104 GLU H . . . . . . . . . . 434 . 50012 1 >> 44 2 1 . . 123.303 . . . . 1 1 104 GLU N . . . . . . . . . . 435 . 50012 1 >> 45 1 1 . . 8.115 . . . . 1 1 9 ILE H . . . . . . . . . . 452 . 50012 1 >> 45 2 1 . . 123.194 . . . . 1 1 9 ILE N . . . . . . . . . . 453 . 50012 1 >> 46 1 1 . . 9.246 . . . . 1 1 180 ALA H . . . . . . . . . . 466 . 50012 1 >> 46 2 1 . . 123.143 . . . . 1 1 180 ALA N . . . . . . . . . . 467 . 50012 1 >> 47 1 1 . . 8.678 . . . . 1 1 173 LEU H . . . . . . . . . . 328 . 50012 1 >> 47 2 1 . . 123.137 . . . . 1 1 173 LEU N . . . . . . . . . . 329 . 50012 1 >> 48 1 1 . . 8.457 . . . . 1 1 114 ALA H . . . . . . . . . . 351 . 50012 1 >> 48 2 1 . . 123.119 . . . . 1 1 114 ALA N . . . . . . . . . . 352 . 50012 1 >> 49 1 1 . . 8.278 . . . . 1 1 32 THR H . . . . . . . . . . 373 . 50012 1 >> 49 2 1 . . 123.010 . . . . 1 1 32 THR N . . . . . . . . . . 374 . 50012 1 >> 50 1 1 . . 8.770 . . . . 1 1 106 LEU H . . . . . . . . . . 390 . 50012 1 >> 50 2 1 . . 122.868 . . . . 1 1 106 LEU N . . . . . . . . . . 391 . 50012 1 >> 51 1 1 . . 7.590 . . . . 1 1 94 ILE H . . . . . . . . . . 406 . 50012 1 >> 51 2 1 . . 122.787 . . . . 1 1 94 ILE N . . . . . . . . . . 407 . 50012 1 >> 52 1 1 . . 7.675 . . . . 1 1 210 TRP H . . . . . . . . . . 428 . 50012 1 >> 52 2 1 . . 122.726 . . . . 1 1 210 TRP N . . . . . . . . . . 429 . 50012 1 >> 53 1 1 . . 7.186 . . . . 1 1 171 ALA H . . . . . . . . . . 449 . 50012 1 >> 53 2 1 . . 122.729 . . . . 1 1 171 ALA N . . . . . . . . . . 450 . 50012 1 >> 54 1 1 . . 8.288 . . . . 1 1 46 LEU H . . . . . . . . . . 464 . 50012 1 >> 54 2 1 . . 122.659 . . . . 1 1 46 LEU N . . . . . . . . . . 465 . 50012 1 >> 55 1 1 . . 7.546 . . . . 1 1 57 GLU H . . . . . . . . . . 97 . 50012 1 >> 55 2 1 . . 122.534 . . . . 1 1 57 GLU N . . . . . . . . . . 98 . 50012 1 >> 56 1 1 . . 8.986 . . . . 1 1 44 ALA H . . . . . . . . . . 345 . 50012 1 >> 56 2 1 . . 122.463 . . . . 1 1 44 ALA N . . . . . . . . . . 346 . 50012 1 >> 57 1 1 . . 7.901 . . . . 1 1 182 ILE H . . . . . . . . . . 371 . 50012 1 >> 57 2 1 . . 122.391 . . . . 1 1 182 ILE N . . . . . . . . . . 372 . 50012 1 >> 58 1 1 . . 9.005 . . . . 1 1 88 TRP H . . . . . . . . . . 445 . 50012 1 >> 58 2 1 . . 122.235 . . . . 1 1 88 TRP N . . . . . . . . . . 446 . 50012 1 >> 59 1 1 . . 8.468 . . . . 1 1 98 ALA H . . . . . . . . . . 404 . 50012 1 >> 59 2 1 . . 122.194 . . . . 1 1 98 ALA N . . . . . . . . . . 405 . 50012 1 >> 60 1 1 . . 7.805 . . . . 1 1 190 ALA H . . . . . . . . . . 424 . 50012 1 >> 60 2 1 . . 121.928 . . . . 1 1 190 ALA N . . . . . . . . . . 425 . 50012 1 >> 61 1 1 . . 9.092 . . . . 1 1 74 ILE H . . . . . . . . . . 447 . 50012 1 >> 61 2 1 . . 121.889 . . . . 1 1 74 ILE N . . . . . . . . . . 448 . 50012 1 >> 62 1 1 . . 8.618 . . . . 1 1 89 LEU H . . . . . . . . . . 460 . 50012 1 >> 62 2 1 . . 121.853 . . . . 1 1 89 LEU N . . . . . . . . . . 461 . 50012 1 >> 63 1 1 . . 8.373 . . . . 1 1 30 VAL H . . . . . . . . . . 320 . 50012 1 >> 63 2 1 . . 121.851 . . . . 1 1 30 VAL N . . . . . . . . . . 321 . 50012 1 >> 64 1 1 . . 7.473 . . . . 1 1 186 LYS H . . . . . . . . . . 341 . 50012 1 >> 64 2 1 . . 121.805 . . . . 1 1 186 LYS N . . . . . . . . . . 342 . 50012 1 >> 65 1 1 . . 8.156 . . . . 1 1 205 LEU H . . . . . . . . . . 365 . 50012 1 >> 65 2 1 . . 121.733 . . . . 1 1 205 LEU N . . . . . . . . . . 366 . 50012 1 >> 66 1 1 . . 7.415 . . . . 1 1 75 SER H . . . . . . . . . . 385 . 50012 1 >> 66 2 1 . . 121.730 . . . . 1 1 75 SER N . . . . . . . . . . 386 . 50012 1 >> 67 1 1 . . 7.977 . . . . 1 1 62 TRP H . . . . . . . . . . 402 . 50012 1 >> 67 2 1 . . 121.691 . . . . 1 1 62 TRP N . . . . . . . . . . 403 . 50012 1 >> 68 1 1 . . 8.333 . . . . 1 1 200 LYS H . . . . . . . . . . 419 . 50012 1 >> 68 2 1 . . 121.476 . . . . 1 1 200 LYS N . . . . . . . . . . 420 . 50012 1 >> 69 1 1 . . 8.122 . . . . 1 1 181 LYS H . . . . . . . . . . 458 . 50012 1 >> 69 2 1 . . 121.351 . . . . 1 1 181 LYS N . . . . . . . . . . 459 . 50012 1 >> 70 1 1 . . 7.733 . . . . 1 1 55 ASP H . . . . . . . . . . 316 . 50012 1 >> 70 2 1 . . 121.378 . . . . 1 1 55 ASP N . . . . . . . . . . 317 . 50012 1 >> 71 1 1 . . 9.117 . . . . 1 1 37 VAL H . . . . . . . . . . 337 . 50012 1 >> 71 2 1 . . 121.152 . . . . 1 1 37 VAL N . . . . . . . . . . 338 . 50012 1 >> 72 1 1 . . 7.836 . . . . 1 1 222 LYS H . . . . . . . . . . 361 . 50012 1 >> 72 2 1 . . 121.173 . . . . 1 1 222 LYS N . . . . . . . . . . 362 . 50012 1 >> 73 1 1 . . 8.984 . . . . 1 1 144 LEU H . . . . . . . . . . 379 . 50012 1 >> 73 2 1 . . 121.119 . . . . 1 1 144 LEU N . . . . . . . . . . 380 . 50012 1 >> 74 1 1 . . 8.057 . . . . 1 1 107 LYS H . . . . . . . . . . 398 . 50012 1 >> 74 2 1 . . 121.090 . . . . 1 1 107 LYS N . . . . . . . . . . 399 . 50012 1 >> 75 1 1 . . 7.904 . . . . 1 1 59 LEU H . . . . . . . . . . 413 . 50012 1 >> 75 2 1 . . 121.102 . . . . 1 1 59 LEU N . . . . . . . . . . 414 . 50012 1 >> 76 1 1 . . 7.562 . . . . 1 1 221 LYS H . . . . . . . . . . 440 . 50012 1 >> 76 2 1 . . 121.104 . . . . 1 1 221 LYS N . . . . . . . . . . 441 . 50012 1 >> 77 1 1 . . 9.491 . . . . 1 1 18 VAL H . . . . . . . . . . 286 . 50012 1 >> 77 2 1 . . 121.001 . . . . 1 1 18 VAL N . . . . . . . . . . 287 . 50012 1 >> 78 1 1 . . 9.332 . . . . 1 1 20 THR H . . . . . . . . . . 304 . 50012 1 >> 78 2 1 . . 120.950 . . . . 1 1 20 THR N . . . . . . . . . . 305 . 50012 1 >> 79 1 1 . . 8.841 . . . . 1 1 87 GLU H . . . . . . . . . . 326 . 50012 1 >> 79 2 1 . . 120.701 . . . . 1 1 87 GLU N . . . . . . . . . . 327 . 50012 1 >> 80 1 1 . . 7.994 . . . . 1 1 218 LYS H . . . . . . . . . . 211 . 50012 1 >> 80 2 1 . . 120.588 . . . . 1 1 218 LYS N . . . . . . . . . . 212 . 50012 1 >> 81 1 1 . . 10.785 . . . . 1 1 76 SER H . . . . . . . . . . 322 . 50012 1 >> 81 2 1 . . 120.550 . . . . 1 1 76 SER N . . . . . . . . . . 323 . 50012 1 >> 82 1 1 . . 8.125 . . . . 1 1 101 LEU H . . . . . . . . . . 171 . 50012 1 >> 82 2 1 . . 120.457 . . . . 1 1 101 LEU N . . . . . . . . . . 172 . 50012 1 >> 83 1 1 . . 7.877 . . . . 1 1 112 VAL H . . . . . . . . . . 73 . 50012 1 >> 83 2 1 . . 120.324 . . . . 1 1 112 VAL N . . . . . . . . . . 74 . 50012 1 >> 84 1 1 . . 8.556 . . . . 1 1 65 GLU H . . . . . . . . . . 179 . 50012 1 >> 84 2 1 . . 120.241 . . . . 1 1 65 GLU N . . . . . . . . . . 180 . 50012 1 >> 85 1 1 . . 7.043 . . . . 1 1 92 GLN H . . . . . . . . . . 280 . 50012 1 >> 85 2 1 . . 120.213 . . . . 1 1 92 GLN N . . . . . . . . . . 281 . 50012 1 >> 86 1 1 . . 9.907 . . . . 1 1 141 GLN H . . . . . . . . . . 300 . 50012 1 >> 86 2 1 . . 120.182 . . . . 1 1 141 GLN N . . . . . . . . . . 301 . 50012 1 >> 87 1 1 . . 8.100 . . . . 1 1 23 GLU H . . . . . . . . . . 81 . 50012 1 >> 87 2 1 . . 120.157 . . . . 1 1 23 GLU N . . . . . . . . . . 82 . 50012 1 >> 88 1 1 . . 8.222 . . . . 1 1 28 TRP H . . . . . . . . . . 191 . 50012 1 >> 88 2 1 . . 120.106 . . . . 1 1 28 TRP N . . . . . . . . . . 192 . 50012 1 >> 89 1 1 . . 8.824 . . . . 1 1 21 SER H . . . . . . . . . . 298 . 50012 1 >> 89 2 1 . . 120.024 . . . . 1 1 21 SER N . . . . . . . . . . 299 . 50012 1 >> 90 1 1 . . 7.790 . . . . 1 1 100 GLU H . . . . . . . . . . 417 . 50012 1 >> 90 2 1 . . 119.985 . . . . 1 1 100 GLU N . . . . . . . . . . 418 . 50012 1 >> 91 1 1 . . 8.423 . . . . 1 1 108 LYS H . . . . . . . . . . 55 . 50012 1 >> 91 2 1 . . 119.976 . . . . 1 1 108 LYS N . . . . . . . . . . 56 . 50012 1 >> 92 1 1 . . 8.694 . . . . 1 1 165 LEU H . . . . . . . . . . 15 . 50012 1 >> 92 2 1 . . 119.909 . . . . 1 1 165 LEU N . . . . . . . . . . 16 . 50012 1 >> 93 1 1 . . 8.777 . . . . 1 1 14 GLU H . . . . . . . . . . 278 . 50012 1 >> 93 2 1 . . 119.744 . . . . 1 1 14 GLU N . . . . . . . . . . 279 . 50012 1 >> 94 1 1 . . 7.566 . . . . 1 1 215 LYS H . . . . . . . . . . 296 . 50012 1 >> 94 2 1 . . 119.736 . . . . 1 1 215 LYS N . . . . . . . . . . 297 . 50012 1 >> 95 1 1 . . 8.049 . . . . 1 1 214 LEU H . . . . . . . . . . 59 . 50012 1 >> 95 2 1 . . 119.699 . . . . 1 1 214 LEU N . . . . . . . . . . 60 . 50012 1 >> 96 1 1 . . 8.834 . . . . 1 1 97 TYR H . . . . . . . . . . 159 . 50012 1 >> 96 2 1 . . 119.637 . . . . 1 1 97 TYR N . . . . . . . . . . 160 . 50012 1 >> 97 1 1 . . 8.633 . . . . 1 1 199 GLU H . . . . . . . . . . 274 . 50012 1 >> 97 2 1 . . 119.582 . . . . 1 1 199 GLU N . . . . . . . . . . 275 . 50012 1 >> 98 1 1 . . 7.772 . . . . 1 1 183 LEU H . . . . . . . . . . 396 . 50012 1 >> 98 2 1 . . 119.589 . . . . 1 1 183 LEU N . . . . . . . . . . 397 . 50012 1 >> 99 1 1 . . 8.302 . . . . 1 1 69 GLU H . . . . . . . . . . 37 . 50012 1 >> 99 2 1 . . 119.532 . . . . 1 1 69 GLU N . . . . . . . . . . 38 . 50012 1 >> 100 1 1 . . 8.044 . . . . 1 1 111 LYS H . . . . . . . . . . 270 . 50012 1 >> 100 2 1 . . 119.277 . . . . 1 1 111 LYS N . . . . . . . . . . 271 . 50012 1 >> 101 1 1 . . 7.925 . . . . 1 1 91 SER H . . . . . . . . . . 294 . 50012 1 >> 101 2 1 . . 119.235 . . . . 1 1 91 SER N . . . . . . . . . . 295 . 50012 1 >> 102 1 1 . . 7.682 . . . . 1 1 6 ASP H . . . . . . . . . . 310 . 50012 1 >> 102 2 1 . . 119.170 . . . . 1 1 6 ASP N . . . . . . . . . . 311 . 50012 1 >> 103 1 1 . . 7.379 . . . . 1 1 192 LEU H . . . . . . . . . . 140 . 50012 1 >> 103 2 1 . . 119.050 . . . . 1 1 192 LEU N . . . . . . . . . . 141 . 50012 1 >> 104 1 1 . . 8.262 . . . . 1 1 225 SER H . . . . . . . . . . 251 . 50012 1 >> 104 2 1 . . 118.838 . . . . 1 1 225 SER N . . . . . . . . . . 252 . 50012 1 >> 105 1 1 . . 8.076 . . . . 1 1 16 VAL H . . . . . . . . . . 131 . 50012 1 >> 105 2 1 . . 118.688 . . . . 1 1 16 VAL N . . . . . . . . . . 132 . 50012 1 >> 106 1 1 . . 9.055 . . . . 1 1 90 ASN H . . . . . . . . . . 33 . 50012 1 >> 106 2 1 . . 118.624 . . . . 1 1 90 ASN N . . . . . . . . . . 34 . 50012 1 >> 107 1 1 . . 8.188 . . . . 1 1 212 GLN H . . . . . . . . . . 268 . 50012 1 >> 107 2 1 . . 118.444 . . . . 1 1 212 GLN N . . . . . . . . . . 269 . 50012 1 >> 108 1 1 . . 8.840 . . . . 1 1 45 TYR H . . . . . . . . . . 288 . 50012 1 >> 108 2 1 . . 118.409 . . . . 1 1 45 TYR N . . . . . . . . . . 289 . 50012 1 >> 109 1 1 . . 7.409 . . . . 1 1 58 LYS H . . . . . . . . . . 117 . 50012 1 >> 109 2 1 . . 118.348 . . . . 1 1 58 LYS N . . . . . . . . . . 118 . 50012 1 >> 110 1 1 . . 8.896 . . . . 1 1 179 SER H . . . . . . . . . . 231 . 50012 1 >> 110 2 1 . . 118.214 . . . . 1 1 179 SER N . . . . . . . . . . 232 . 50012 1 >> 111 1 1 . . 8.089 . . . . 1 1 81 ASP H . . . . . . . . . . 276 . 50012 1 >> 111 2 1 . . 118.105 . . . . 1 1 81 ASP N . . . . . . . . . . 277 . 50012 1 >> 112 1 1 . . 7.694 . . . . 1 1 196 SER H . . . . . . . . . . 462 . 50012 1 >> 112 2 1 . . 118.112 . . . . 1 1 196 SER N . . . . . . . . . . 463 . 50012 1 >> 113 1 1 . . 8.573 . . . . 1 1 116 TYR H . . . . . . . . . . 87 . 50012 1 >> 113 2 1 . . 117.855 . . . . 1 1 116 TYR N . . . . . . . . . . 88 . 50012 1 >> 114 1 1 . . 8.216 . . . . 1 1 224 SER H . . . . . . . . . . 35 . 50012 1 >> 114 2 1 . . 117.852 . . . . 1 1 224 SER N . . . . . . . . . . 36 . 50012 1 >> 115 1 1 . . 8.998 . . . . 1 1 204 SER H . . . . . . . . . . 49 . 50012 1 >> 115 2 1 . . 117.813 . . . . 1 1 204 SER N . . . . . . . . . . 50 . 50012 1 >> 116 1 1 . . 7.253 . . . . 1 1 133 PHE H . . . . . . . . . . 95 . 50012 1 >> 116 2 1 . . 117.750 . . . . 1 1 133 PHE N . . . . . . . . . . 96 . 50012 1 >> 117 1 1 . . 7.329 . . . . 1 1 175 ALA H . . . . . . . . . . 115 . 50012 1 >> 117 2 1 . . 117.690 . . . . 1 1 175 ALA N . . . . . . . . . . 116 . 50012 1 >> 118 1 1 . . 8.297 . . . . 1 1 60 VAL H . . . . . . . . . . 284 . 50012 1 >> 118 2 1 . . 117.646 . . . . 1 1 60 VAL N . . . . . . . . . . 285 . 50012 1 >> 119 1 1 . . 8.164 . . . . 1 1 219 GLU H . . . . . . . . . . 65 . 50012 1 >> 119 2 1 . . 117.625 . . . . 1 1 219 GLU N . . . . . . . . . . 66 . 50012 1 >> 120 1 1 . . 7.219 . . . . 1 1 178 LYS H . . . . . . . . . . 31 . 50012 1 >> 120 2 1 . . 117.474 . . . . 1 1 178 LYS N . . . . . . . . . . 32 . 50012 1 >> 121 1 1 . . 6.580 . . . . 1 1 153 ILE H . . . . . . . . . . 45 . 50012 1 >> 121 2 1 . . 117.423 . . . . 1 1 153 ILE N . . . . . . . . . . 46 . 50012 1 >> 122 1 1 . . 8.735 . . . . 1 1 61 ASN H . . . . . . . . . . 79 . 50012 1 >> 122 2 1 . . 117.099 . . . . 1 1 61 ASN N . . . . . . . . . . 80 . 50012 1 >> 123 1 1 . . 6.743 . . . . 1 1 66 ARG H . . . . . . . . . . 91 . 50012 1 >> 123 2 1 . . 116.989 . . . . 1 1 66 ARG N . . . . . . . . . . 92 . 50012 1 >> 124 1 1 . . 8.655 . . . . 1 1 208 ARG H . . . . . . . . . . 111 . 50012 1 >> 124 2 1 . . 116.860 . . . . 1 1 208 ARG N . . . . . . . . . . 112 . 50012 1 >> 125 1 1 . . 7.668 . . . . 1 1 152 LYS H . . . . . . . . . . 438 . 50012 1 >> 125 2 1 . . 116.693 . . . . 1 1 152 LYS N . . . . . . . . . . 439 . 50012 1 >> 126 1 1 . . 6.486 . . . . 1 1 143 ASN H . . . . . . . . . . 233 . 50012 1 >> 126 2 1 . . 116.598 . . . . 1 1 143 ASN N . . . . . . . . . . 234 . 50012 1 >> 127 1 1 . . 8.303 . . . . 1 1 130 ILE H . . . . . . . . . . 249 . 50012 1 >> 127 2 1 . . 116.553 . . . . 1 1 130 ILE N . . . . . . . . . . 250 . 50012 1 >> 128 1 1 . . 7.741 . . . . 1 1 170 ASP H . . . . . . . . . . 255 . 50012 1 >> 128 2 1 . . 116.487 . . . . 1 1 170 ASP N . . . . . . . . . . 256 . 50012 1 >> 129 1 1 . . 8.331 . . . . 1 1 227 SER H . . . . . . . . . . 383 . 50012 1 >> 129 2 1 . . 116.273 . . . . 1 1 227 SER N . . . . . . . . . . 384 . 50012 1 >> 130 1 1 . . 8.426 . . . . 1 1 203 ALA H . . . . . . . . . . 21 . 50012 1 >> 130 2 1 . . 115.994 . . . . 1 1 203 ALA N . . . . . . . . . . 22 . 50012 1 >> 131 1 1 . . 7.748 . . . . 1 1 129 LYS H . . . . . . . . . . 5 . 50012 1 >> 131 2 1 . . 115.980 . . . . 1 1 129 LYS N . . . . . . . . . . 6 . 50012 1 >> 132 1 1 . . 7.808 . . . . 1 1 184 MET H . . . . . . . . . . 29 . 50012 1 >> 132 2 1 . . 115.791 . . . . 1 1 184 MET N . . . . . . . . . . 30 . 50012 1 >> 133 1 1 . . 7.738 . . . . 1 1 189 LYS H . . . . . . . . . . 99 . 50012 1 >> 133 2 1 . . 115.727 . . . . 1 1 189 LYS N . . . . . . . . . . 100 . 50012 1 >> 134 1 1 . . 9.452 . . . . 1 1 99 SER H . . . . . . . . . . 229 . 50012 1 >> 134 2 1 . . 115.707 . . . . 1 1 99 SER N . . . . . . . . . . 230 . 50012 1 >> 135 1 1 . . 8.508 . . . . 1 1 22 PHE H . . . . . . . . . . 247 . 50012 1 >> 135 2 1 . . 115.661 . . . . 1 1 22 PHE N . . . . . . . . . . 248 . 50012 1 >> 136 1 1 . . 8.120 . . . . 1 1 163 HIS H . . . . . . . . . . 264 . 50012 1 >> 136 2 1 . . 115.640 . . . . 1 1 163 HIS N . . . . . . . . . . 265 . 50012 1 >> 137 1 1 . . 7.979 . . . . 1 1 13 GLU H . . . . . . . . . . 468 . 50012 1 >> 137 2 1 . . 115.056 . . . . 1 1 13 GLU N . . . . . . . . . . 469 . 50012 1 >> 138 1 1 . . 8.417 . . . . 1 1 36 LEU H . . . . . . . . . . 207 . 50012 1 >> 138 2 1 . . 115.014 . . . . 1 1 36 LEU N . . . . . . . . . . 208 . 50012 1 >> 139 1 1 . . 7.592 . . . . 1 1 187 TYR H . . . . . . . . . . 135 . 50012 1 >> 139 2 1 . . 115.014 . . . . 1 1 187 TYR N . . . . . . . . . . 136 . 50012 1 >> 140 1 1 . . 7.748 . . . . 1 1 220 SER H . . . . . . . . . . 239 . 50012 1 >> 140 2 1 . . 114.892 . . . . 1 1 220 SER N . . . . . . . . . . 240 . 50012 1 >> 141 1 1 . . 8.533 . . . . 1 1 150 GLU H . . . . . . . . . . 125 . 50012 1 >> 141 2 1 . . 114.776 . . . . 1 1 150 GLU N . . . . . . . . . . 126 . 50012 1 >> 142 1 1 . . 7.537 . . . . 1 1 198 SER H . . . . . . . . . . 109 . 50012 1 >> 142 2 1 . . 114.763 . . . . 1 1 198 SER N . . . . . . . . . . 110 . 50012 1 >> 143 1 1 . . 6.599 . . . . 1 1 118 PHE H . . . . . . . . . . 235 . 50012 1 >> 143 2 1 . . 114.655 . . . . 1 1 118 PHE N . . . . . . . . . . 236 . 50012 1 >> 144 1 1 . . 7.261 . . . . 1 1 209 THR H . . . . . . . . . . 331 . 50012 1 >> 144 2 1 . . 114.566 . . . . 1 1 209 THR N . . . . . . . . . . 332 . 50012 1 >> 145 1 1 . . 8.048 . . . . 1 1 223 THR H . . . . . . . . . . 314 . 50012 1 >> 145 2 1 . . 114.258 . . . . 1 1 223 THR N . . . . . . . . . . 315 . 50012 1 >> 146 1 1 . . 8.851 . . . . 1 1 27 GLY H . . . . . . . . . . 422 . 50012 1 >> 146 2 1 . . 114.077 . . . . 1 1 27 GLY N . . . . . . . . . . 423 . 50012 1 >> 147 1 1 . . 8.628 . . . . 1 1 119 SER H . . . . . . . . . . 169 . 50012 1 >> 147 2 1 . . 114.005 . . . . 1 1 119 SER N . . . . . . . . . . 170 . 50012 1 >> 148 1 1 . . 7.158 . . . . 1 1 96 THR H . . . . . . . . . . 1108 . 50012 1 >> 148 2 1 . . 113.686 . . . . 1 1 96 THR N . . . . . . . . . . 1109 . 50012 1 >> 149 1 1 . . 7.402 . . . . 1 1 63 PHE H . . . . . . . . . . 367 . 50012 1 >> 149 2 1 . . 113.641 . . . . 1 1 63 PHE N . . . . . . . . . . 368 . 50012 1 >> 150 1 1 . . 8.572 . . . . 1 1 156 GLY H . . . . . . . . . . 121 . 50012 1 >> 150 2 1 . . 113.469 . . . . 1 1 156 GLY N . . . . . . . . . . 122 . 50012 1 >> 151 1 1 . . 8.398 . . . . 1 1 84 GLY H . . . . . . . . . . 89 . 50012 1 >> 151 2 1 . . 113.012 . . . . 1 1 84 GLY N . . . . . . . . . . 90 . 50012 1 >> 152 1 1 . . 8.267 . . . . 1 1 117 SER H . . . . . . . . . . 75 . 50012 1 >> 152 2 1 . . 112.835 . . . . 1 1 117 SER N . . . . . . . . . . 76 . 50012 1 >> 153 1 1 . . 8.912 . . . . 1 1 35 GLY H . . . . . . . . . . 67 . 50012 1 >> 153 2 1 . . 112.749 . . . . 1 1 35 GLY N . . . . . . . . . . 68 . 50012 1 >> 154 1 1 . . 7.787 . . . . 1 1 42 THR H . . . . . . . . . . 349 . 50012 1 >> 154 2 1 . . 112.335 . . . . 1 1 42 THR N . . . . . . . . . . 350 . 50012 1 >> 155 1 1 . . 6.056 . . . . 1 1 134 TYR H . . . . . . . . . . 25 . 50012 1 >> 155 2 1 . . 112.283 . . . . 1 1 134 TYR N . . . . . . . . . . 26 . 50012 1 >> 156 1 1 . . 7.716 . . . . 1 1 197 HIS H . . . . . . . . . . 175 . 50012 1 >> 156 2 1 . . 112.203 . . . . 1 1 197 HIS N . . . . . . . . . . 176 . 50012 1 >> 157 1 1 . . 7.429 . . . . 1 1 122 SER H . . . . . . . . . . 394 . 50012 1 >> 157 2 1 . . 112.091 . . . . 1 1 122 SER N . . . . . . . . . . 395 . 50012 1 >> 158 1 1 . . 6.831 . . . . 1 1 126 VAL H . . . . . . . . . . 369 . 50012 1 >> 158 2 1 . . 112.056 . . . . 1 1 126 VAL N . . . . . . . . . . 370 . 50012 1 >> 159 1 1 . . 7.542 . . . . 1 1 185 SER H . . . . . . . . . . 103 . 50012 1 >> 159 2 1 . . 112.026 . . . . 1 1 185 SER N . . . . . . . . . . 104 . 50012 1 >> 160 1 1 . . 7.408 . . . . 1 1 109 SER H . . . . . . . . . . 454 . 50012 1 >> 160 2 1 . . 111.755 . . . . 1 1 109 SER N . . . . . . . . . . 455 . 50012 1 >> 161 1 1 . . 8.698 . . . . 1 1 15 GLY H . . . . . . . . . . 69 . 50012 1 >> 161 2 1 . . 111.678 . . . . 1 1 15 GLY N . . . . . . . . . . 70 . 50012 1 >> 162 1 1 . . 9.390 . . . . 1 1 142 ASP H . . . . . . . . . . 312 . 50012 1 >> 162 2 1 . . 111.397 . . . . 1 1 142 ASP N . . . . . . . . . . 313 . 50012 1 >> 163 1 1 . . 7.783 . . . . 1 1 54 THR H . . . . . . . . . . 272 . 50012 1 >> 163 2 1 . . 110.995 . . . . 1 1 54 THR N . . . . . . . . . . 273 . 50012 1 >> 164 1 1 . . 7.699 . . . . 1 1 93 SER H . . . . . . . . . . 105 . 50012 1 >> 164 2 1 . . 110.444 . . . . 1 1 93 SER N . . . . . . . . . . 106 . 50012 1 >> 165 1 1 . . 6.848 . . . . 1 1 151 SER H . . . . . . . . . . 227 . 50012 1 >> 165 2 1 . . 110.420 . . . . 1 1 151 SER N . . . . . . . . . . 228 . 50012 1 >> 166 1 1 . . 8.990 . . . . 1 1 145 VAL H . . . . . . . . . . 282 . 50012 1 >> 166 2 1 . . 110.263 . . . . 1 1 145 VAL N . . . . . . . . . . 283 . 50012 1 >> 167 1 1 . . 7.659 . . . . 1 1 77 HIS H . . . . . . . . . . 253 . 50012 1 >> 167 2 1 . . 110.061 . . . . 1 1 77 HIS N . . . . . . . . . . 254 . 50012 1 >> 168 1 1 . . 7.894 . . . . 1 1 110 GLY H . . . . . . . . . . 266 . 50012 1 >> 168 2 1 . . 109.998 . . . . 1 1 110 GLY N . . . . . . . . . . 267 . 50012 1 >> 169 1 1 . . 8.624 . . . . 1 1 169 GLY H . . . . . . . . . . 19 . 50012 1 >> 169 2 1 . . 109.352 . . . . 1 1 169 GLY N . . . . . . . . . . 20 . 50012 1 >> 170 1 1 . . 8.262 . . . . 1 1 29 GLY H . . . . . . . . . . 411 . 50012 1 >> 170 2 1 . . 108.805 . . . . 1 1 29 GLY N . . . . . . . . . . 412 . 50012 1 >> 171 1 1 . . 6.787 . . . . 1 1 164 GLY H . . . . . . . . . . 292 . 50012 1 >> 171 2 1 . . 108.767 . . . . 1 1 164 GLY N . . . . . . . . . . 293 . 50012 1 >> 172 1 1 . . 7.388 . . . . 1 1 83 THR H . . . . . . . . . . 93 . 50012 1 >> 172 2 1 . . 108.719 . . . . 1 1 83 THR N . . . . . . . . . . 94 . 50012 1 >> 173 1 1 . . 7.491 . . . . 1 1 82 SER H . . . . . . . . . . 400 . 50012 1 >> 173 2 1 . . 108.490 . . . . 1 1 82 SER N . . . . . . . . . . 401 . 50012 1 >> 174 1 1 . . 8.116 . . . . 1 1 201 GLY H . . . . . . . . . . 7 . 50012 1 >> 174 2 1 . . 108.425 . . . . 1 1 201 GLY N . . . . . . . . . . 8 . 50012 1 >> 175 1 1 . . 8.427 . . . . 1 1 166 GLY H . . . . . . . . . . 101 . 50012 1 >> 175 2 1 . . 108.006 . . . . 1 1 166 GLY N . . . . . . . . . . 102 . 50012 1 >> 176 1 1 . . 7.503 . . . . 1 1 138 GLY H . . . . . . . . . . 203 . 50012 1 >> 176 2 1 . . 107.096 . . . . 1 1 138 GLY N . . . . . . . . . . 204 . 50012 1 >> 177 1 1 . . 7.191 . . . . 1 1 188 GLY H . . . . . . . . . . 333 . 50012 1 >> 177 2 1 . . 106.511 . . . . 1 1 188 GLY N . . . . . . . . . . 334 . 50012 1 >> 178 1 1 . . 8.193 . . . . 1 1 216 GLY H . . . . . . . . . . 324 . 50012 1 >> 178 2 1 . . 106.233 . . . . 1 1 216 GLY N . . . . . . . . . . 325 . 50012 1 >> 179 1 1 . . 8.720 . . . . 1 1 85 GLY H . . . . . . . . . . 155 . 50012 1 >> 179 2 1 . . 106.110 . . . . 1 1 85 GLY N . . . . . . . . . . 156 . 50012 1 >> 180 1 1 . . 7.694 . . . . 1 1 67 GLY H . . . . . . . . . . 243 . 50012 1 >> 180 2 1 . . 106.033 . . . . 1 1 67 GLY N . . . . . . . . . . 244 . 50012 1 >> 181 1 1 . . 6.869 . . . . 1 1 49 THR H . . . . . . . . . . 165 . 50012 1 >> 181 2 1 . . 103.912 . . . . 1 1 49 THR N . . . . . . . . . . 166 . 50012 1 >> 182 1 1 . . 6.879 . . . . 1 1 72 GLY H . . . . . . . . . . 181 . 50012 1 >> 182 2 1 . . 102.978 . . . . 1 1 72 GLY N . . . . . . . . . . 182 . 50012 1 >> 183 1 1 . . 7.486 . . . . 1 1 140 THR H . . . . . . . . . . 257 . 50012 1 >> 183 2 1 . . 102.415 . . . . 1 1 140 THR N . . . . . . . . . . 258 . 50012 1 >> 184 1 1 . . 7.316 . . . . 1 1 52 THR H . . . . . . . . . . 51 . 50012 1 >> 184 2 1 . . 99.749 . . . . 1 1 52 THR N . . . . . . . . . . 52 . 50012 1 >> 185 1 1 . . 8.064 . . . . 1 1 174 GLU H . . . . . . . . . . 565 . 50012 1 >> 185 2 1 . . 114.429 . . . . 1 1 174 GLU N . . . . . . . . . . 566 . 50012 1 >> 186 1 1 . . 8.242 . . . . 1 1 121 VAL H . . . . . . . . . . 711 . 50012 1 >> 186 2 1 . . 119.934 . . . . 1 1 121 VAL N . . . . . . . . . . 712 . 50012 1 >> 187 1 1 . . 8.432 . . . . 1 1 102 THR H . . . . . . . . . . 718 . 50012 1 >> 187 2 1 . . 119.722 . . . . 1 1 102 THR N . . . . . . . . . . 719 . 50012 1 >> 188 1 1 . . 8.119 . . . . 1 1 217 LEU H . . . . . . . . . . 723 . 50012 1 >> 188 2 1 . . 123.409 . . . . 1 1 217 LEU N . . . . . . . . . . 724 . 50012 1 >> 189 1 1 . . 9.136 . . . . 1 1 8 LYS H . . . . . . . . . . 225 . 50012 1 >> 189 2 1 . . 128.259 . . . . 1 1 8 LYS N . . . . . . . . . . 226 . 50012 1 >> 190 1 1 . . 9.121 . . . . 1 1 123 TYR H . . . . . . . . . . 727 . 50012 1 >> 190 2 1 . . 128.212 . . . . 1 1 123 TYR N . . . . . . . . . . 728 . 50012 1 >> 191 1 1 . . 8.132 . . . . 1 1 202 ASP H . . . . . . . . . . 730 . 50012 1 >> 191 2 1 . . 120.343 . . . . 1 1 202 ASP N . . . . . . . . . . 729 . 50012 1 >> 192 1 1 . . 8.094 . . . . 1 1 7 LEU H . . . . . . . . . . 731 . 50012 1 >> 192 2 1 . . 120.394 . . . . 1 1 7 LEU N . . . . . . . . . . 732 . 50012 1 >> 193 1 1 . . 7.628 . . . . 1 1 68 TYR H . . . . . . . . . . 129 . 50012 1 >> 193 2 1 . . 119.439 . . . . 1 1 68 TYR N . . . . . . . . . . 130 . 50012 1 >> 194 1 1 . . 7.642 . . . . 1 1 56 THR H . . . . . . . . . . 736 . 50012 1 >> 194 2 1 . . 119.357 . . . . 1 1 56 THR N . . . . . . . . . . 737 . 50012 1 >> 195 1 1 . . 8.427 . . . . 1 1 73 THR H . . . . . . . . . . 739 . 50012 1 >> 195 2 1 . . 114.900 . . . . 1 1 73 THR N . . . . . . . . . . 740 . 50012 1 >> 196 1 1 . . 8.412 . . . . 1 1 36 LEU H . . . . . . . . . . 207 . 50012 1 >> 196 2 1 . . 115.002 . . . . 1 1 36 LEU N . . . . . . . . . . 208 . 50012 1 >> 197 1 1 . . 7.839 . . . . 1 1 86 ILE H . . . . . . . . . . 743 . 50012 1 >> 197 2 1 . . 120.945 . . . . 1 1 86 ILE N . . . . . . . . . . 744 . 50012 1 >> 198 1 1 . . 8.085 . . . . 1 1 206 MET H . . . . . . . . . . 760 . 50012 1 >> 198 2 1 . . 118.518 . . . . 1 1 206 MET N . . . . . . . . . . 761 . 50012 1 >> 199 1 1 . . 8.515 . . . . 1 1 146 VAL H . . . . . . . . . . 770 . 50012 1 >> 199 2 1 . . 118.275 . . . . 1 1 146 VAL N . . . . . . . . . . 771 . 50012 1 >> 200 1 1 . . 8.509 . . . . 1 1 172 ASN H . . . . . . . . . . 308 . 50012 1 >> 200 2 1 . . 118.364 . . . . 1 1 172 ASN N . . . . . . . . . . 309 . 50012 1 >> 201 1 1 . . 8.310 . . . . 1 1 211 GLU H . . . . . . . . . . 781 . 50012 1 >> 201 2 1 . . 116.117 . . . . 1 1 211 GLU N . . . . . . . . . . 782 . 50012 1 >> 202 1 1 . . 7.802 . . . . 1 1 113 GLN H . . . . . . . . . . 788 . 50012 1 >> 202 2 1 . . 121.849 . . . . 1 1 113 GLN N . . . . . . . . . . 789 . 50012 1 >> 203 1 1 . . 8.065 . . . . 1 1 157 GLY H . . . . . . . . . . 800 . 50012 1 >> 203 2 1 . . 118.825 . . . . 1 1 157 GLY N . . . . . . . . . . 801 . 50012 1 >> 204 1 1 . . 10.249 . . . . 1 1 210 TRP HE1 . . . . . . . . . . 810 . 50012 1 >> 204 2 1 . . 127.428 . . . . 1 1 210 TRP NE1 . . . . . . . . . . 811 . 50012 1 >> 205 1 1 . . 8.915 . . . . 1 1 48 ASP H . . . . . . . . . . 845 . 50012 1 >> 205 2 1 . . 118.067 . . . . 1 1 48 ASP N . . . . . . . . . . 844 . 50012 1 >> 206 1 1 . . 6.441 . . . . 1 1 128 ASN H . . . . . . . . . . 846 . 50012 1 >> 206 2 1 . . 116.510 . . . . 1 1 128 ASN N . . . . . . . . . . 847 . 50012 1 >> 207 1 1 . . 6.827 . . . . 1 1 51 PHE H . . . . . . . . . . 848 . 50012 1 >> 207 2 1 . . 112.184 . . . . 1 1 51 PHE N . . . . . . . . . . 849 . 50012 1 >> 208 1 1 . . 8.007 . . . . 1 1 105 LEU H . . . . . . . . . . 850 . 50012 1 >> 208 2 1 . . 121.683 . . . . 1 1 105 LEU N . . . . . . . . . . 851 . 50012 1 >> 209 1 1 . . 8.305 . . . . 1 1 103 ASN H . . . . . . . . . . 866 . 50012 1 >> 209 2 1 . . 119.318 . . . . 1 1 103 ASN N . . . . . . . . . . 867 . 50012 1 >> 210 1 1 . . 7.741 . . . . 1 1 176 TRP H . . . . . . . . . . 1678 . 50012 1 >> 210 2 1 . . 119.593 . . . . 1 1 176 TRP N . . . . . . . . . . 1679 . 50012 1 >> 211 1 1 . . 9.489 . . . . 1 1 78 PHE H . . . . . . . . . . 1711 . 50012 1 >> 211 2 1 . . 115.785 . . . . 1 1 78 PHE N . . . . . . . . . . 1712 . 50012 1 >> >> stop_ >> >>save_ >> ; save_