data_27396 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of Rous sarcoma virus matrix protein (M domain) ; _BMRB_accession_number 27396 _BMRB_flat_file_name bmr27396.str _Entry_type original _Submission_date 2018-02-06 _Accession_date 2018-02-06 _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 Vlach Jiri . . 2 Saad Jamil . . 3 Eastep Gunnar . . 4 Ghanam Ruba . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 510 "13C chemical shifts" 390 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-15 original BMRB . stop_ _Original_release_date 2018-02-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; ASV MA interaction with phospholipids ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vlach Jiri . . 2 Saad Jamil . . 3 Eastep Gunnar . . 4 Ghanam Ruba . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sMA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sRSV MA' $sRSV_MA stop_ _System_molecular_weight 9201.7769 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sRSV_MA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sRSV_MA _Molecular_mass 9201.7769 _Mol_thiol_state 'all free' _Details 'MA residues 2-87; Ser1 from SUMO tag.' ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; SEAVIKVISSACKTYCGKTS PSKKEIGAMLSLLQKEGLLM SPSDLYSPGSWDPITAALSQ RAMILGKSGELKTWGLVLGA LKAAREE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 ALA 4 VAL 5 ILE 6 LYS 7 VAL 8 ILE 9 SER 10 SER 11 ALA 12 CYS 13 LYS 14 THR 15 TYR 16 CYS 17 GLY 18 LYS 19 THR 20 SER 21 PRO 22 SER 23 LYS 24 LYS 25 GLU 26 ILE 27 GLY 28 ALA 29 MET 30 LEU 31 SER 32 LEU 33 LEU 34 GLN 35 LYS 36 GLU 37 GLY 38 LEU 39 LEU 40 MET 41 SER 42 PRO 43 SER 44 ASP 45 LEU 46 TYR 47 SER 48 PRO 49 GLY 50 SER 51 TRP 52 ASP 53 PRO 54 ILE 55 THR 56 ALA 57 ALA 58 LEU 59 SER 60 GLN 61 ARG 62 ALA 63 MET 64 ILE 65 LEU 66 GLY 67 LYS 68 SER 69 GLY 70 GLU 71 LEU 72 LYS 73 THR 74 TRP 75 GLY 76 LEU 77 VAL 78 LEU 79 GLY 80 ALA 81 LEU 82 LYS 83 ALA 84 ALA 85 ARG 86 GLU 87 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProt P03322 P03322 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sRSV_MA 'Rous sarcoma virus' 11886 Viruses . Alpharetrovirus 'Rous sarcoma virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $sRSV_MA 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3)' pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sRSV_MA .5 mM '[U-95% 13C; U-90% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 2 mM 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sRSV_MA .5 mM '[U-95% 13C; U-90% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 2 mM 'natural abundance' stop_ save_ save_13C15ND2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sRSV_MA .5 mM '[U-95% 13C; U-90% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' TCEP 2 mM 'natural abundance' 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_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version any loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version any loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_II _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C15N save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $13C15N save_ save_2D_1H-15N_HSQC/HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC/HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $13C15N save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C15N save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N save_ save_HNcoCACB_(H[N[co[{CA|ca[C]}]]])_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C15N save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N save_ save_hCCH_(hC_CH.relayed)_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCH (hC_CH.relayed)' _Sample_label $13C15N save_ save_hCCH-aro_(hC_CH.relayed)_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCH-aro (hC_CH.relayed)' _Sample_label $13C15N save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15ND2O 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' 0.100 . M pH 6.000 . pH pressure 1.000 . atm temperature 305 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-15N HSQC/HMQC' '2D 1H-13C HSQC/HMQC' '3D HN(CO)CA' '3D HNCA' '3D HNCACB' 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' '3D HNCO' 'hCCH (hC_CH.relayed)' 'hCCH-aro (hC_CH.relayed)' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $13C15N $15N $13C15ND2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'sRSV MA' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER H H 9.236 . 1 2 1 1 SER HA H 3.885 0.006 1 3 1 1 SER HB2 H 3.79 0.005 2 4 1 1 SER HB3 H 4.022 0.005 2 5 1 1 SER CA C 57.398 0.058 1 6 1 1 SER CB C 65.651 0.033 1 7 1 1 SER N N 123.789 . 1 8 2 2 GLU H H 9.237 . 1 9 2 2 GLU HA H 4.142 0.002 1 10 2 2 GLU HB2 H 2.064 0.001 1 11 2 2 GLU HB3 H 2.064 0.001 1 12 2 2 GLU HG2 H 2.352 0.004 1 13 2 2 GLU HG3 H 2.352 0.004 1 14 2 2 GLU C C 177.787 . 1 15 2 2 GLU CA C 58.606 0.063 1 16 2 2 GLU CB C 29.762 0.019 1 17 2 2 GLU CG C 36.286 0.043 1 18 2 2 GLU N N 124.039 . 1 19 3 3 ALA H H 8.473 0.004 1 20 3 3 ALA HA H 4.145 0.007 1 21 3 3 ALA HB H 1.462 0.002 1 22 3 3 ALA C C 179.794 . 1 23 3 3 ALA CA C 54.951 0.033 1 24 3 3 ALA CB C 18.617 0.045 1 25 3 3 ALA N N 122.469 0.019 1 26 4 4 VAL H H 7.705 0.006 1 27 4 4 VAL HA H 3.994 0.005 1 28 4 4 VAL HB H 1.97 0.002 1 29 4 4 VAL HG1 H 0.838 0.002 2 30 4 4 VAL HG2 H 0.929 0.003 2 31 4 4 VAL C C 177.983 . 1 32 4 4 VAL CA C 65.310 0.037 1 33 4 4 VAL CB C 31.861 0.033 1 34 4 4 VAL CG1 C 21.100 0.022 2 35 4 4 VAL CG2 C 22.217 0.018 2 36 4 4 VAL N N 118.818 0.03 1 37 5 5 ILE H H 8.192 0.006 1 38 5 5 ILE HA H 3.498 0.005 1 39 5 5 ILE HB H 1.919 0.006 1 40 5 5 ILE HG12 H 0.884 0.001 2 41 5 5 ILE HG13 H 1.728 0.003 2 42 5 5 ILE HG2 H 0.917 0.003 1 43 5 5 ILE HD1 H 0.888 0.001 1 44 5 5 ILE C C 178.040 . 1 45 5 5 ILE CA C 66.042 0.038 1 46 5 5 ILE CB C 37.658 0.037 1 47 5 5 ILE CG1 C 30.379 0.027 1 48 5 5 ILE CG2 C 17.388 0.02 1 49 5 5 ILE CD1 C 13.473 0.027 1 50 5 5 ILE N N 119.525 0.043 1 51 6 6 LYS H H 8.013 0.006 1 52 6 6 LYS HA H 3.991 0.003 1 53 6 6 LYS HB2 H 1.997 0.006 2 54 6 6 LYS HB3 H 1.997 0.006 2 55 6 6 LYS HG2 H 1.597 0.003 2 56 6 6 LYS HG3 H 1.439 0.01 2 57 6 6 LYS HD2 H 1.722 0.009 1 58 6 6 LYS HD3 H 1.722 0.009 1 59 6 6 LYS HE2 H 2.98 0.002 1 60 6 6 LYS HE3 H 2.98 0.002 1 61 6 6 LYS C C 179.086 . 1 62 6 6 LYS CA C 60.288 0.092 1 63 6 6 LYS CB C 32.320 0.08 1 64 6 6 LYS CG C 25.454 0.057 1 65 6 6 LYS CD C 29.389 0.048 1 66 6 6 LYS CE C 42.121 0.034 1 67 6 6 LYS N N 120.545 0.046 1 68 7 7 VAL H H 7.665 0.001 1 69 7 7 VAL HA H 3.753 0.006 1 70 7 7 VAL HB H 2.438 0.002 1 71 7 7 VAL HG1 H 0.936 0.002 2 72 7 7 VAL HG2 H 1.113 0.003 2 73 7 7 VAL C C 179.519 . 1 74 7 7 VAL CA C 66.726 0.022 1 75 7 7 VAL CB C 31.924 0.042 1 76 7 7 VAL CG1 C 21.285 0.018 2 77 7 7 VAL CG2 C 22.747 0.027 2 78 7 7 VAL N N 121.407 0.03 1 79 8 8 ILE H H 8.632 0.001 1 80 8 8 ILE HA H 3.714 0.006 1 81 8 8 ILE HB H 1.935 0.004 1 82 8 8 ILE HG12 H 1.18 0.002 2 83 8 8 ILE HG13 H 1.954 0.004 2 84 8 8 ILE HG2 H 0.937 0.007 1 85 8 8 ILE HD1 H 0.775 0.006 1 86 8 8 ILE C C 178.208 . 1 87 8 8 ILE CA C 65.313 0.039 1 88 8 8 ILE CB C 37.875 0.025 1 89 8 8 ILE CG1 C 28.944 0.029 1 90 8 8 ILE CG2 C 19.823 0.024 1 91 8 8 ILE CD1 C 13.814 0.032 1 92 8 8 ILE N N 119.958 0.044 1 93 9 9 SER H H 8.994 0.003 1 94 9 9 SER HA H 3.958 . 1 95 9 9 SER HB2 H 3.954 . 1 96 9 9 SER HB3 H 3.954 . 1 97 9 9 SER C C 176.965 . 1 98 9 9 SER CA C 62.658 0.016 1 99 9 9 SER CB C 62.935 0.015 1 100 9 9 SER N N 115.592 0.041 1 101 10 10 SER H H 8.138 0.004 1 102 10 10 SER HA H 4.237 0.004 1 103 10 10 SER HB2 H 3.955 0.0 2 104 10 10 SER HB3 H 4.063 0.005 2 105 10 10 SER C C 176.606 . 1 106 10 10 SER CA C 62.084 0.033 1 107 10 10 SER CB C 62.828 0.033 1 108 10 10 SER N N 116.689 0.025 1 109 11 11 ALA H H 8.06 0.006 1 110 11 11 ALA HA H 4.332 0.002 1 111 11 11 ALA HB H 1.554 0.001 1 112 11 11 ALA C C 180.543 . 1 113 11 11 ALA CA C 55.338 0.015 1 114 11 11 ALA CB C 16.975 0.047 1 115 11 11 ALA N N 124.834 0.027 1 116 12 12 CYS H H 8.712 0.003 1 117 12 12 CYS HA H 4.229 0.006 1 118 12 12 CYS HB2 H 3 0.005 2 119 12 12 CYS HB3 H 3.09 0.002 2 120 12 12 CYS C C 176.845 . 1 121 12 12 CYS CA C 64.079 0.032 1 122 12 12 CYS CB C 27.479 0.056 1 123 12 12 CYS N N 116.484 0.04 1 124 13 13 LYS H H 8.43 0.002 1 125 13 13 LYS HA H 3.987 0.003 1 126 13 13 LYS HB2 H 1.957 0.0 1 127 13 13 LYS HB3 H 1.957 0.0 1 128 13 13 LYS HG2 H 1.434 0.007 2 129 13 13 LYS HG3 H 1.565 0.005 2 130 13 13 LYS HD2 H 1.666 0.001 1 131 13 13 LYS HD3 H 1.666 0.001 1 132 13 13 LYS HE2 H 2.958 0.004 2 133 13 13 LYS HE3 H 2.958 0.004 2 134 13 13 LYS C C 179.205 . 1 135 13 13 LYS CA C 60.034 0.041 1 136 13 13 LYS CB C 31.871 0.034 1 137 13 13 LYS CG C 25.074 0.044 1 138 13 13 LYS CD C 29.210 0.025 1 139 13 13 LYS CE C 42.165 0.013 1 140 13 13 LYS N N 121.869 0.058 1 141 14 14 THR H H 7.693 0.005 1 142 14 14 THR HA H 3.829 0.004 1 143 14 14 THR HB H 3.948 0.006 1 144 14 14 THR HG2 H 0.713 0.005 1 145 14 14 THR C C 175.562 . 1 146 14 14 THR CA C 66.084 0.042 1 147 14 14 THR CB C 69.174 0.036 1 148 14 14 THR CG2 C 21.312 0.051 1 149 14 14 THR N N 114.344 0.039 1 150 15 15 TYR H H 7.988 0.003 1 151 15 15 TYR HA H 4.57 0.003 1 152 15 15 TYR HB2 H 2.894 0.005 2 153 15 15 TYR HB3 H 3.11 0.005 2 154 15 15 TYR HD1 H 7.236 0.002 1 155 15 15 TYR HD2 H 7.236 0.002 1 156 15 15 TYR HE1 H 6.756 0.001 1 157 15 15 TYR HE2 H 6.756 0.001 1 158 15 15 TYR C C 177.136 . 1 159 15 15 TYR CA C 60.742 0.048 1 160 15 15 TYR CB C 39.997 0.053 1 161 15 15 TYR CG C 130.026 0.029 1 162 15 15 TYR CD1 C 133.522 0.044 1 163 15 15 TYR CD2 C 133.522 0.044 1 164 15 15 TYR CE1 C 117.974 0.017 1 165 15 15 TYR CE2 C 117.974 0.017 1 166 15 15 TYR N N 117.792 0.038 1 167 16 16 CYS H H 8.928 0.001 1 168 16 16 CYS HA H 4.368 0.003 1 169 16 16 CYS HB2 H 2.866 0.003 2 170 16 16 CYS HB3 H 3.11 0.004 2 171 16 16 CYS C C 176.223 . 1 172 16 16 CYS CA C 59.194 0.036 1 173 16 16 CYS CB C 27.964 0.064 1 174 16 16 CYS N N 116.189 0.033 1 175 17 17 GLY H H 7.776 0.003 1 176 17 17 GLY HA2 H 3.849 0.003 2 177 17 17 GLY HA3 H 3.976 0.005 2 178 17 17 GLY C C 176.374 . 1 179 17 17 GLY CA C 46.728 0.038 1 180 17 17 GLY N N 108.987 0.03 1 181 18 18 LYS H H 8.939 0.002 1 182 18 18 LYS HA H 4.186 0.002 1 183 18 18 LYS HB2 H 1.888 0.006 2 184 18 18 LYS HB3 H 1.888 0.005 2 185 18 18 LYS HG2 H 1.51 0.002 1 186 18 18 LYS HG3 H 1.51 0.002 1 187 18 18 LYS HD2 H 1.702 . 1 188 18 18 LYS HD3 H 1.702 . 1 189 18 18 LYS HE2 H 3.003 . 1 190 18 18 LYS HE3 H 3.003 . 1 191 18 18 LYS C C 177.298 . 1 192 18 18 LYS CA C 58.327 0.053 1 193 18 18 LYS CB C 32.390 0.074 1 194 18 18 LYS CG C 24.936 0.036 1 195 18 18 LYS CD C 29.150 0.072 1 196 18 18 LYS CE C 42.079 . 1 197 18 18 LYS N N 125.854 0.049 1 198 19 19 THR H H 7.605 0.001 1 199 19 19 THR HA H 4.38 0.003 1 200 19 19 THR HB H 4.381 0.004 1 201 19 19 THR HG2 H 1.193 0.002 1 202 19 19 THR C C 173.466 . 1 203 19 19 THR CA C 61.069 0.062 1 204 19 19 THR CB C 68.921 0.037 1 205 19 19 THR CG2 C 22.150 0.033 1 206 19 19 THR N N 109.831 0.027 1 207 20 20 SER H H 7.491 0.001 1 208 20 20 SER HA H 4.248 0.006 1 209 20 20 SER HB2 H 3.744 0.005 1 210 20 20 SER HB3 H 3.744 0.005 1 211 20 20 SER C C 173.137 . 1 212 20 20 SER CA C 57.032 0.013 1 213 20 20 SER CB C 64.150 0.052 1 214 20 20 SER N N 115.755 0.021 1 215 21 21 PRO HA H 4.74 0.002 1 216 21 21 PRO HB2 H 1.879 0.001 2 217 21 21 PRO HB3 H 2.44 0.002 2 218 21 21 PRO HG2 H 1.985 0.002 2 219 21 21 PRO HG3 H 2.077 0.002 2 220 21 21 PRO HD2 H 3.927 0.002 2 221 21 21 PRO HD3 H 3.709 0.001 2 222 21 21 PRO C C 175.916 . 1 223 21 21 PRO CA C 62.539 0.03 1 224 21 21 PRO CB C 32.755 0.028 1 225 21 21 PRO CG C 27.804 0.034 1 226 21 21 PRO CD C 51.298 0.048 1 227 22 22 SER H H 8.915 0.008 1 228 22 22 SER HA H 4.55 0.005 1 229 22 22 SER HB2 H 4.057 0.003 2 230 22 22 SER HB3 H 4.428 0.006 2 231 22 22 SER C C 175.372 . 1 232 22 22 SER CA C 56.944 0.026 1 233 22 22 SER CB C 65.767 0.057 1 234 22 22 SER N N 118.417 0.043 1 235 23 23 LYS H H 9.11 0.003 1 236 23 23 LYS HA H 3.836 0.002 1 237 23 23 LYS HB2 H 1.818 0.004 2 238 23 23 LYS HB3 H 1.905 0.005 2 239 23 23 LYS HG2 H 1.319 0.002 2 240 23 23 LYS HG3 H 1.678 0.005 2 241 23 23 LYS HD2 H 1.739 0.002 1 242 23 23 LYS HD3 H 1.739 0.002 1 243 23 23 LYS HE2 H 2.972 . 1 244 23 23 LYS HE3 H 2.972 . 1 245 23 23 LYS C C 179.744 . 1 246 23 23 LYS CA C 61.223 0.032 1 247 23 23 LYS CB C 31.947 0.043 1 248 23 23 LYS CG C 26.221 0.043 1 249 23 23 LYS CD C 29.503 0.029 1 250 23 23 LYS CE C 41.896 0.017 1 251 23 23 LYS N N 121.499 0.042 1 252 24 24 LYS H H 8.313 0.005 1 253 24 24 LYS HA H 4.063 0.002 1 254 24 24 LYS HB2 H 1.772 0.002 2 255 24 24 LYS HB3 H 1.874 0.002 2 256 24 24 LYS HG2 H 1.404 0.006 2 257 24 24 LYS HG3 H 1.52 0.004 2 258 24 24 LYS HD2 H 1.695 . 1 259 24 24 LYS HD3 H 1.695 . 1 260 24 24 LYS HE2 H 2.983 . 1 261 24 24 LYS HE3 H 2.983 . 1 262 24 24 LYS C C 179.560 . 1 263 24 24 LYS CA C 59.605 0.035 1 264 24 24 LYS CB C 32.481 0.034 1 265 24 24 LYS CG C 25.038 0.015 1 266 24 24 LYS CD C 29.318 0.052 1 267 24 24 LYS CE C 42.125 0.031 1 268 24 24 LYS N N 120.193 0.034 1 269 25 25 GLU H H 7.874 0.002 1 270 25 25 GLU HA H 4.056 0.004 1 271 25 25 GLU HB2 H 2.109 0.006 2 272 25 25 GLU HB3 H 2.403 0.004 2 273 25 25 GLU HG2 H 2.294 0.004 1 274 25 25 GLU HG3 H 2.294 0.004 1 275 25 25 GLU C C 180.736 . 1 276 25 25 GLU CA C 59.431 0.05 1 277 25 25 GLU CB C 29.479 0.013 1 278 25 25 GLU CG C 37.545 0.038 1 279 25 25 GLU N N 121.206 0.035 1 280 26 26 ILE H H 8.667 0.003 1 281 26 26 ILE HA H 3.529 0.002 1 282 26 26 ILE HB H 1.869 0.002 1 283 26 26 ILE HG12 H 0.614 0.005 2 284 26 26 ILE HG13 H 1.826 0.003 2 285 26 26 ILE HG2 H 0.897 0.002 1 286 26 26 ILE HD1 H 0.759 0.002 1 287 26 26 ILE C C 178.002 . 1 288 26 26 ILE CA C 66.293 0.045 1 289 26 26 ILE CB C 38.195 0.034 1 290 26 26 ILE CG1 C 29.595 0.025 1 291 26 26 ILE CG2 C 18.520 0.04 1 292 26 26 ILE CD1 C 13.645 0.033 1 293 26 26 ILE N N 122.142 0.037 1 294 27 27 GLY H H 8.788 0.005 1 295 27 27 GLY HA2 H 3.729 0.005 2 296 27 27 GLY HA3 H 4.046 0.002 2 297 27 27 GLY C C 176.271 . 1 298 27 27 GLY CA C 47.581 0.033 1 299 27 27 GLY N N 107.345 0.015 1 300 28 28 ALA H H 8.313 0.004 1 301 28 28 ALA HA H 4.237 0.002 1 302 28 28 ALA HB H 1.554 0.002 1 303 28 28 ALA C C 180.710 . 1 304 28 28 ALA CA C 55.062 0.025 1 305 28 28 ALA CB C 18.169 0.046 1 306 28 28 ALA N N 125.006 0.049 1 307 29 29 MET H H 7.84 0.001 1 308 29 29 MET HA H 3.885 0.003 1 309 29 29 MET HB2 H 2.341 0.006 2 310 29 29 MET HB3 H 2.571 0.002 2 311 29 29 MET HG2 H 2.272 0.002 2 312 29 29 MET HG3 H 2.675 0.002 2 313 29 29 MET HE H 2.133 0.006 1 314 29 29 MET C C 177.234 . 1 315 29 29 MET CA C 59.539 0.054 1 316 29 29 MET CB C 32.815 0.041 1 317 29 29 MET CG C 30.970 0.026 1 318 29 29 MET CE C 16.854 0.015 1 319 29 29 MET N N 119.778 0.03 1 320 30 30 LEU H H 8.576 0.004 1 321 30 30 LEU HA H 3.874 0.002 1 322 30 30 LEU HB2 H 1.603 0.002 2 323 30 30 LEU HB3 H 1.858 0.002 2 324 30 30 LEU HG H 1.812 0.003 1 325 30 30 LEU HD1 H 0.801 0.001 2 326 30 30 LEU HD2 H 0.831 0.001 2 327 30 30 LEU C C 179.032 . 1 328 30 30 LEU CA C 58.679 0.04 1 329 30 30 LEU CB C 41.871 0.024 1 330 30 30 LEU CG C 26.964 0.087 1 331 30 30 LEU CD1 C 24.165 0.035 2 332 30 30 LEU CD2 C 25.946 0.046 2 333 30 30 LEU N N 118.961 0.028 1 334 31 31 SER H H 8.403 0.002 1 335 31 31 SER HA H 4.242 0.003 1 336 31 31 SER HB2 H 3.955 0.006 2 337 31 31 SER HB3 H 3.985 0.002 2 338 31 31 SER C C 176.983 . 1 339 31 31 SER CA C 61.884 0.042 1 340 31 31 SER CB C 62.850 0.051 1 341 31 31 SER N N 113.987 0.037 1 342 32 32 LEU H H 7.606 0.001 1 343 32 32 LEU HA H 4.183 0.006 1 344 32 32 LEU HB2 H 1.771 0.002 2 345 32 32 LEU HB3 H 1.927 0.003 2 346 32 32 LEU HG H 1.45 0.004 1 347 32 32 LEU HD1 H 0.86 0.001 2 348 32 32 LEU HD2 H 0.737 0.002 2 349 32 32 LEU C C 178.208 . 1 350 32 32 LEU CA C 58.198 0.05 1 351 32 32 LEU CB C 41.458 0.03 1 352 32 32 LEU CG C 27.207 0.064 1 353 32 32 LEU CD1 C 23.941 0.02 2 354 32 32 LEU CD2 C 25.775 0.06 2 355 32 32 LEU N N 122.986 0.043 1 356 33 33 LEU H H 8.034 0.001 1 357 33 33 LEU HA H 3.781 0.003 1 358 33 33 LEU HB2 H 1.168 0.001 2 359 33 33 LEU HB3 H 1.951 . 2 360 33 33 LEU HG H 2.07 0.002 1 361 33 33 LEU HD1 H 0.59 0.005 2 362 33 33 LEU HD2 H 0.694 0.008 2 363 33 33 LEU C C 179.394 . 1 364 33 33 LEU CA C 57.968 0.036 1 365 33 33 LEU CB C 41.591 0.021 1 366 33 33 LEU CG C 26.372 0.035 1 367 33 33 LEU CD1 C 23.654 0.026 2 368 33 33 LEU CD2 C 26.216 0.041 2 369 33 33 LEU N N 116.465 0.042 1 370 34 34 GLN H H 8.111 0.003 1 371 34 34 GLN HA H 4.361 0.001 1 372 34 34 GLN HB2 H 2.185 0.0 1 373 34 34 GLN HB3 H 2.185 0.0 1 374 34 34 GLN HG2 H 2.24 0.004 2 375 34 34 GLN HG3 H 2.463 0.002 2 376 34 34 GLN HE21 H 7.271 0.001 1 377 34 34 GLN HE22 H 6.858 0.001 1 378 34 34 GLN C C 179.872 . 1 379 34 34 GLN CA C 59.068 0.034 1 380 34 34 GLN CB C 29.314 0.014 1 381 34 34 GLN CG C 34.909 0.03 1 382 34 34 GLN CD C 179.779 0.018 1 383 34 34 GLN N N 117.667 0.022 1 384 34 34 GLN NE2 N 110.056 0.021 1 385 35 35 LYS H H 8.354 0.002 1 386 35 35 LYS HA H 4.06 0.005 1 387 35 35 LYS HB2 H 2.035 0.007 1 388 35 35 LYS HB3 H 2.035 0.007 1 389 35 35 LYS HG2 H 1.573 0.006 1 390 35 35 LYS HG3 H 1.573 0.006 1 391 35 35 LYS HD2 H 1.72 . 1 392 35 35 LYS HD3 H 1.72 . 1 393 35 35 LYS HE2 H 2.987 0.006 1 394 35 35 LYS HE3 H 2.987 0.006 1 395 35 35 LYS C C 178.864 . 1 396 35 35 LYS CA C 59.616 0.04 1 397 35 35 LYS CB C 32.326 0.015 1 398 35 35 LYS CG C 25.058 0.022 1 399 35 35 LYS CD C 29.355 0.008 1 400 35 35 LYS CE C 42.183 0.022 1 401 35 35 LYS N N 123.235 0.038 1 402 36 36 GLU H H 8.038 0.002 1 403 36 36 GLU HA H 4.284 0.003 1 404 36 36 GLU HB2 H 1.728 0.001 2 405 36 36 GLU HB3 H 2.324 0.001 2 406 36 36 GLU HG2 H 2.114 0.001 2 407 36 36 GLU HG3 H 2.35 0.003 2 408 36 36 GLU C C 176.545 . 1 409 36 36 GLU CA C 55.941 0.009 1 410 36 36 GLU CB C 30.133 0.045 1 411 36 36 GLU CG C 36.543 0.018 1 412 36 36 GLU N N 114.631 0.036 1 413 37 37 GLY H H 7.687 0.003 1 414 37 37 GLY HA2 H 3.845 0.003 2 415 37 37 GLY HA3 H 4.037 0.003 2 416 37 37 GLY C C 174.545 . 1 417 37 37 GLY CA C 46.004 0.02 1 418 37 37 GLY N N 106.778 0.032 1 419 38 38 LEU H H 7.886 0.001 1 420 38 38 LEU HA H 4.212 0.004 1 421 38 38 LEU HB2 H 1.416 0.009 2 422 38 38 LEU HB3 H 1.576 0.002 2 423 38 38 LEU HG H 1.463 0.001 1 424 38 38 LEU HD1 H 0.741 0.001 2 425 38 38 LEU HD2 H 0.732 0.002 2 426 38 38 LEU C C 175.409 . 1 427 38 38 LEU CA C 55.081 0.025 1 428 38 38 LEU CB C 43.123 0.027 1 429 38 38 LEU CG C 27.445 0.032 1 430 38 38 LEU CD1 C 22.904 0.01 2 431 38 38 LEU CD2 C 25.770 0.042 2 432 38 38 LEU N N 118.852 0.029 1 433 39 39 LEU H H 7.071 0.002 1 434 39 39 LEU HA H 4.494 0.004 1 435 39 39 LEU HB2 H 1.151 0.002 2 436 39 39 LEU HB3 H 1.527 0.007 2 437 39 39 LEU HG H 1.32 0.001 1 438 39 39 LEU HD1 H 0.833 0.001 2 439 39 39 LEU HD2 H 0.846 0.001 2 440 39 39 LEU C C 175.832 . 1 441 39 39 LEU CA C 53.443 0.024 1 442 39 39 LEU CB C 44.838 0.026 1 443 39 39 LEU CG C 26.864 0.059 1 444 39 39 LEU CD1 C 26.016 0.04 2 445 39 39 LEU CD2 C 24.996 0.07 2 446 39 39 LEU N N 115.715 0.026 1 447 40 40 MET H H 9.043 0.001 1 448 40 40 MET HA H 4.5 0.001 1 449 40 40 MET HB2 H 2.102 0.005 2 450 40 40 MET HB3 H 2.156 0.001 2 451 40 40 MET HG2 H 2.471 0.004 2 452 40 40 MET HG3 H 2.661 0.002 2 453 40 40 MET HE H 2.062 0.001 1 454 40 40 MET C C 176.646 . 1 455 40 40 MET CA C 56.646 0.032 1 456 40 40 MET CB C 32.174 0.059 1 457 40 40 MET CG C 32.449 0.02 1 458 40 40 MET CE C 16.976 0.004 1 459 40 40 MET N N 123.321 0.028 1 460 41 41 SER H H 7.77 0.002 1 461 41 41 SER HA H 4.924 0.006 1 462 41 41 SER HB2 H 3.742 0.005 2 463 41 41 SER HB3 H 3.854 0.005 2 464 41 41 SER C C 173.967 . 1 465 41 41 SER CA C 55.242 0.014 1 466 41 41 SER CB C 64.637 0.039 1 467 41 41 SER N N 114.104 0.041 1 468 42 42 PRO HA H 4.121 0.0 1 469 42 42 PRO HB2 H 1.981 0.0 2 470 42 42 PRO HB3 H 2.221 0.001 2 471 42 42 PRO HG2 H 1.982 0.001 2 472 42 42 PRO HG3 H 2.22 0.002 2 473 42 42 PRO HD2 H 3.843 0.003 2 474 42 42 PRO HD3 H 3.949 0.001 2 475 42 42 PRO C C 176.313 . 1 476 42 42 PRO CA C 65.810 0.033 1 477 42 42 PRO CB C 31.804 0.033 1 478 42 42 PRO CG C 27.900 0.045 1 479 42 42 PRO CD C 50.682 0.023 1 480 43 43 SER H H 7.703 0.004 1 481 43 43 SER HA H 3.723 0.005 1 482 43 43 SER HB2 H 3.774 0.005 2 483 43 43 SER HB3 H 4.001 0.008 2 484 43 43 SER C C 176.349 . 1 485 43 43 SER CA C 60.187 0.045 1 486 43 43 SER CB C 62.624 0.045 1 487 43 43 SER N N 107.858 0.025 1 488 44 44 ASP H H 8.203 0.004 1 489 44 44 ASP HA H 4.451 0.006 1 490 44 44 ASP HB2 H 2.836 0.005 2 491 44 44 ASP HB3 H 2.939 0.004 2 492 44 44 ASP C C 177.975 . 1 493 44 44 ASP CA C 57.133 0.017 1 494 44 44 ASP CB C 40.549 0.034 1 495 44 44 ASP N N 124.518 0.024 1 496 45 45 LEU H H 7.469 0.003 1 497 45 45 LEU HA H 4.258 0.002 1 498 45 45 LEU HB2 H 1.481 0.002 2 499 45 45 LEU HB3 H 1.626 0.005 2 500 45 45 LEU HG H 1.886 0.003 1 501 45 45 LEU HD1 H 0.848 0.002 2 502 45 45 LEU HD2 H 0.897 0.008 2 503 45 45 LEU C C 176.164 . 1 504 45 45 LEU CA C 56.520 0.026 1 505 45 45 LEU CB C 42.120 0.038 1 506 45 45 LEU CG C 26.589 0.116 1 507 45 45 LEU CD1 C 25.615 0.024 2 508 45 45 LEU CD2 C 25.286 0.038 2 509 45 45 LEU N N 117.945 0.022 1 510 46 46 TYR H H 7.202 0.002 1 511 46 46 TYR HA H 4.737 0.006 1 512 46 46 TYR HB2 H 2.992 0.002 2 513 46 46 TYR HB3 H 3.427 0.001 2 514 46 46 TYR HD1 H 7.136 0.001 1 515 46 46 TYR HD2 H 7.136 0.001 1 516 46 46 TYR HE1 H 6.716 0.003 1 517 46 46 TYR HE2 H 6.716 0.003 1 518 46 46 TYR C C 176.682 . 1 519 46 46 TYR CA C 56.975 0.012 1 520 46 46 TYR CB C 37.784 0.056 1 521 46 46 TYR CG C 129.839 0.018 1 522 46 46 TYR CD1 C 132.261 0.056 1 523 46 46 TYR CD2 C 132.261 0.056 1 524 46 46 TYR CE1 C 117.666 0.046 1 525 46 46 TYR CE2 C 117.666 0.046 1 526 46 46 TYR N N 112.766 0.038 1 527 47 47 SER H H 7.492 0.002 1 528 47 47 SER HA H 4.7 0.003 1 529 47 47 SER HB2 H 3.923 0.006 1 530 47 47 SER HB3 H 3.923 0.006 1 531 47 47 SER C C 172.908 . 1 532 47 47 SER CA C 54.719 0.003 1 533 47 47 SER CB C 63.836 0.051 1 534 47 47 SER N N 114.240 0.027 1 535 48 48 PRO HA H 1.69 0.001 1 536 48 48 PRO HB2 H 1.432 0.001 2 537 48 48 PRO HB3 H 1.477 0.0 2 538 48 48 PRO HG2 H 1.779 0.0 2 539 48 48 PRO HG3 H 1.424 0.0 2 540 48 48 PRO HD2 H 3.548 0.002 2 541 48 48 PRO HD3 H 3.918 0.002 2 542 48 48 PRO C C 178.417 . 1 543 48 48 PRO CA C 62.741 0.034 1 544 48 48 PRO CB C 31.700 0.021 1 545 48 48 PRO CG C 27.236 0.019 1 546 48 48 PRO CD C 50.886 0.031 1 547 49 49 GLY H H 7.977 0.002 1 548 49 49 GLY HA2 H 3.715 0.002 2 549 49 49 GLY HA3 H 3.854 0.002 2 550 49 49 GLY C C 175.083 . 1 551 49 49 GLY CA C 46.090 0.035 1 552 49 49 GLY N N 104.892 0.037 1 553 50 50 SER H H 7.953 0.002 1 554 50 50 SER HA H 4.433 0.004 1 555 50 50 SER HB2 H 3.894 0.005 2 556 50 50 SER HB3 H 4.07 0.001 2 557 50 50 SER C C 177.022 . 1 558 50 50 SER CA C 59.699 0.045 1 559 50 50 SER CB C 64.441 0.043 1 560 50 50 SER N N 114.849 0.024 1 561 51 51 TRP H H 7.249 0.002 1 562 51 51 TRP HA H 4.937 0.004 1 563 51 51 TRP HB2 H 3.487 0.002 2 564 51 51 TRP HB3 H 3.571 0.005 2 565 51 51 TRP HD1 H 7.103 0.003 1 566 51 51 TRP HE1 H 10.44 0.005 1 567 51 51 TRP HE3 H 7.635 0.001 1 568 51 51 TRP HZ2 H 7.188 0.002 1 569 51 51 TRP HZ3 H 7.019 0.002 1 570 51 51 TRP HH2 H 6.896 0.002 1 571 51 51 TRP C C 178.013 . 1 572 51 51 TRP CA C 59.414 0.051 1 573 51 51 TRP CB C 29.648 0.018 1 574 51 51 TRP CD1 C 125.235 0.07 1 575 51 51 TRP CE3 C 121.358 0.107 1 576 51 51 TRP CZ2 C 114.039 0.085 1 577 51 51 TRP CZ3 C 121.306 0.039 1 578 51 51 TRP CH2 C 123.437 0.069 1 579 51 51 TRP N N 122.363 0.032 1 580 51 51 TRP NE1 N 129.371 0.029 1 581 52 52 ASP H H 9.311 0.003 1 582 52 52 ASP HA H 4.853 0.002 1 583 52 52 ASP HB2 H 2.756 0.006 2 584 52 52 ASP HB3 H 2.902 0.003 2 585 52 52 ASP C C 177.381 . 1 586 52 52 ASP CA C 59.334 0.056 1 587 52 52 ASP CB C 37.472 0.018 1 588 52 52 ASP N N 120.163 0.022 1 589 53 53 PRO HA H 4.355 0.001 1 590 53 53 PRO HB2 H 1.902 0.0 2 591 53 53 PRO HB3 H 2.354 0.0 2 592 53 53 PRO HG2 H 1.988 0.002 2 593 53 53 PRO HG3 H 2.227 0.002 2 594 53 53 PRO HD2 H 3.698 0.001 2 595 53 53 PRO HD3 H 3.724 0.003 2 596 53 53 PRO C C 180.096 . 1 597 53 53 PRO CA C 66.003 0.023 1 598 53 53 PRO CB C 31.367 0.025 1 599 53 53 PRO CG C 28.095 0.019 1 600 53 53 PRO CD C 50.699 0.032 1 601 54 54 ILE H H 7.414 0.003 1 602 54 54 ILE HA H 3.385 0.002 1 603 54 54 ILE HB H 1.72 0.002 1 604 54 54 ILE HG12 H 0.585 0.001 2 605 54 54 ILE HG13 H 1.906 0.001 2 606 54 54 ILE HG2 H -0.692 0.001 1 607 54 54 ILE HD1 H 0.59 0.002 1 608 54 54 ILE C C 176.971 . 1 609 54 54 ILE CA C 66.399 0.03 1 610 54 54 ILE CB C 37.553 0.036 1 611 54 54 ILE CG1 C 30.307 0.018 1 612 54 54 ILE CG2 C 16.209 0.033 1 613 54 54 ILE CD1 C 14.235 0.039 1 614 54 54 ILE N N 119.028 0.041 1 615 55 55 THR H H 8.65 0.003 1 616 55 55 THR HA H 3.718 0.001 1 617 55 55 THR HB H 4.553 0.003 1 618 55 55 THR HG2 H 1.313 0.003 1 619 55 55 THR C C 177.445 . 1 620 55 55 THR CA C 67.428 0.026 1 621 55 55 THR CB C 68.708 0.045 1 622 55 55 THR CG2 C 22.670 0.019 1 623 55 55 THR N N 118.059 0.04 1 624 56 56 ALA H H 8.51 0.003 1 625 56 56 ALA HA H 4.13 0.003 1 626 56 56 ALA HB H 1.475 0.004 1 627 56 56 ALA C C 180.032 . 1 628 56 56 ALA CA C 55.508 0.018 1 629 56 56 ALA CB C 18.075 0.058 1 630 56 56 ALA N N 123.867 0.039 1 631 57 57 ALA H H 7.969 0.004 1 632 57 57 ALA HA H 4.177 0.002 1 633 57 57 ALA HB H 1.465 0.003 1 634 57 57 ALA C C 181.795 . 1 635 57 57 ALA CA C 55.134 0.036 1 636 57 57 ALA CB C 19.340 0.083 1 637 57 57 ALA N N 121.238 0.044 1 638 58 58 LEU H H 8.784 0.002 1 639 58 58 LEU HA H 4.072 0.002 1 640 58 58 LEU HB2 H 1.78 0.003 2 641 58 58 LEU HB3 H 1.245 0.002 2 642 58 58 LEU HG H 1.627 0.002 1 643 58 58 LEU HD1 H 0.602 0.006 2 644 58 58 LEU HD2 H 0.514 0.005 2 645 58 58 LEU C C 179.883 . 1 646 58 58 LEU CA C 57.470 0.015 1 647 58 58 LEU CB C 41.693 0.041 1 648 58 58 LEU CG C 26.459 0.078 1 649 58 58 LEU CD1 C 22.294 0.025 2 650 58 58 LEU CD2 C 25.740 0.027 2 651 58 58 LEU N N 117.508 0.034 1 652 59 59 SER H H 8.503 0.002 1 653 59 59 SER HA H 4.348 0.002 1 654 59 59 SER HB2 H 4.132 0.002 2 655 59 59 SER HB3 H 3.991 0.004 2 656 59 59 SER C C 176.428 . 1 657 59 59 SER CA C 62.432 0.037 1 658 59 59 SER CB C 62.608 0.067 1 659 59 59 SER N N 117.550 0.026 1 660 60 60 GLN H H 7.901 0.001 1 661 60 60 GLN HA H 4.171 0.002 1 662 60 60 GLN HB2 H 2.196 0.001 1 663 60 60 GLN HB3 H 2.196 0.001 1 664 60 60 GLN HG2 H 2.439 0.002 2 665 60 60 GLN HG3 H 2.484 0.004 2 666 60 60 GLN HE21 H 6.807 0.002 1 667 60 60 GLN HE22 H 7.397 0.004 1 668 60 60 GLN C C 177.998 . 1 669 60 60 GLN CA C 59.009 0.039 1 670 60 60 GLN CB C 28.456 0.024 1 671 60 60 GLN CG C 33.915 0.049 1 672 60 60 GLN CD C 179.911 0.005 1 673 60 60 GLN N N 122.086 0.025 1 674 60 60 GLN NE2 N 111.168 0.037 1 675 61 61 ARG H H 7.833 0.003 1 676 61 61 ARG HA H 4.103 0.001 1 677 61 61 ARG HB2 H 1.871 0.001 2 678 61 61 ARG HB3 H 1.919 0.0 2 679 61 61 ARG HG2 H 1.776 0.0 1 680 61 61 ARG HG3 H 1.776 0.0 1 681 61 61 ARG HD2 H 3.021 0.002 2 682 61 61 ARG HD3 H 3.204 0.002 2 683 61 61 ARG HE H 7.84 0.001 1 684 61 61 ARG C C 178.012 . 1 685 61 61 ARG CA C 58.911 0.046 1 686 61 61 ARG CB C 30.475 0.033 1 687 61 61 ARG CG C 27.617 0.034 1 688 61 61 ARG CD C 43.504 0.035 1 689 61 61 ARG CZ C 159.485 . 1 690 61 61 ARG N N 119.246 0.034 1 691 61 61 ARG NE N 84.849 0.033 1 692 62 62 ALA H H 7.894 0.003 1 693 62 62 ALA HA H 3.9 0.004 1 694 62 62 ALA HB H 1.51 0.001 1 695 62 62 ALA C C 179.719 . 1 696 62 62 ALA CA C 55.256 0.015 1 697 62 62 ALA CB C 19.101 0.068 1 698 62 62 ALA N N 120.723 0.046 1 699 63 63 MET H H 7.871 0.0 1 700 63 63 MET HA H 4.222 0.002 1 701 63 63 MET HB2 H 2.173 0.002 2 702 63 63 MET HB3 H 2.197 0.003 2 703 63 63 MET HG2 H 2.59 0.004 2 704 63 63 MET HG3 H 2.716 0.003 2 705 63 63 MET HE H 2.095 0.009 1 706 63 63 MET C C 177.954 . 1 707 63 63 MET CA C 58.161 0.053 1 708 63 63 MET CB C 32.881 0.018 1 709 63 63 MET CG C 32.055 0.02 1 710 63 63 MET CE C 16.956 0.022 1 711 63 63 MET N N 116.486 0.034 1 712 64 64 ILE H H 8.217 0.002 1 713 64 64 ILE HA H 4.041 0.008 1 714 64 64 ILE HB H 1.949 0.001 1 715 64 64 ILE HG12 H 1.325 0.002 2 716 64 64 ILE HG13 H 1.611 0.001 2 717 64 64 ILE HG2 H 0.932 0.003 1 718 64 64 ILE HD1 H 0.849 0.002 1 719 64 64 ILE C C 177.792 . 1 720 64 64 ILE CA C 62.986 0.049 1 721 64 64 ILE CB C 38.257 0.023 1 722 64 64 ILE CG1 C 28.190 0.026 1 723 64 64 ILE CG2 C 17.396 0.03 1 724 64 64 ILE CD1 C 12.312 0.024 1 725 64 64 ILE N N 118.047 0.043 1 726 65 65 LEU H H 7.96 0.005 1 727 65 65 LEU HA H 4.502 0.002 1 728 65 65 LEU HB2 H 1.603 0.004 2 729 65 65 LEU HB3 H 1.905 0.002 2 730 65 65 LEU HG H 1.757 0.003 1 731 65 65 LEU HD1 H 0.904 0.001 2 732 65 65 LEU HD2 H 0.93 0.001 2 733 65 65 LEU C C 178.396 . 1 734 65 65 LEU CA C 55.119 0.024 1 735 65 65 LEU CB C 43.120 0.022 1 736 65 65 LEU CG C 26.926 0.057 1 737 65 65 LEU CD1 C 22.645 0.012 2 738 65 65 LEU CD2 C 25.600 0.056 2 739 65 65 LEU N N 117.134 0.045 1 740 66 66 GLY H H 7.614 0.005 1 741 66 66 GLY HA2 H 3.967 0.003 2 742 66 66 GLY HA3 H 4.111 0.004 2 743 66 66 GLY C C 174.543 . 1 744 66 66 GLY CA C 46.240 0.033 1 745 66 66 GLY N N 107.752 0.025 1 746 67 67 LYS H H 7.172 0.003 1 747 67 67 LYS HA H 4.68 0.003 1 748 67 67 LYS HB2 H 1.61 0.002 2 749 67 67 LYS HB3 H 2.022 0.001 2 750 67 67 LYS HG2 H 1.349 0.001 2 751 67 67 LYS HG3 H 1.349 0.001 2 752 67 67 LYS HD2 H 1.608 0.001 2 753 67 67 LYS HD3 H 1.718 0.002 2 754 67 67 LYS HE2 H 2.973 0.0 2 755 67 67 LYS HE3 H 3.033 0.001 2 756 67 67 LYS C C 175.930 . 1 757 67 67 LYS CA C 55.032 0.043 1 758 67 67 LYS CB C 32.954 0.012 1 759 67 67 LYS CG C 24.422 0.021 1 760 67 67 LYS CD C 29.011 0.016 1 761 67 67 LYS CE C 42.396 0.025 1 762 67 67 LYS N N 119.037 0.04 1 763 68 68 SER H H 8.525 0.003 1 764 68 68 SER HA H 4.496 0.005 1 765 68 68 SER HB2 H 3.856 0.003 2 766 68 68 SER HB3 H 4.089 0.006 2 767 68 68 SER C C 176.112 . 1 768 68 68 SER CA C 58.882 0.065 1 769 68 68 SER CB C 64.354 0.051 1 770 68 68 SER N N 116.434 0.033 1 771 69 69 GLY H H 9.043 0.001 1 772 69 69 GLY HA2 H 3.816 0.005 2 773 69 69 GLY HA3 H 3.972 0.002 2 774 69 69 GLY C C 176.269 . 1 775 69 69 GLY CA C 47.799 0.036 1 776 69 69 GLY N N 113.568 0.017 1 777 70 70 GLU H H 9.057 0.003 1 778 70 70 GLU HA H 4.299 0.0 1 779 70 70 GLU HB2 H 1.643 0.001 2 780 70 70 GLU HB3 H 2.167 0.001 2 781 70 70 GLU HG2 H 2.29 0.005 2 782 70 70 GLU HG3 H 2.384 0.002 2 783 70 70 GLU C C 178.297 . 1 784 70 70 GLU CA C 60.916 0.055 1 785 70 70 GLU CB C 28.401 0.047 1 786 70 70 GLU CG C 37.167 0.031 1 787 70 70 GLU N N 120.695 0.038 1 788 71 71 LEU H H 7.648 0.003 1 789 71 71 LEU HA H 4.222 0.004 1 790 71 71 LEU HB2 H 1.492 0.003 2 791 71 71 LEU HB3 H 1.979 0.003 2 792 71 71 LEU HG H 1.657 0.005 1 793 71 71 LEU HD1 H 0.967 0.006 2 794 71 71 LEU HD2 H 1.039 0.0 2 795 71 71 LEU C C 178.898 . 1 796 71 71 LEU CA C 57.904 0.037 1 797 71 71 LEU CB C 41.660 0.051 1 798 71 71 LEU CG C 27.108 0.065 1 799 71 71 LEU CD1 C 26.269 0.026 2 800 71 71 LEU CD2 C 23.297 0.04 2 801 71 71 LEU N N 119.704 0.041 1 802 72 72 LYS H H 7.938 0.004 1 803 72 72 LYS HA H 4.075 0.002 1 804 72 72 LYS HB2 H 2.018 0.006 2 805 72 72 LYS HB3 H 2.018 0.006 2 806 72 72 LYS HG2 H 1.56 0.001 2 807 72 72 LYS HG3 H 1.396 0.001 2 808 72 72 LYS HD2 H 1.681 0.004 1 809 72 72 LYS HD3 H 1.681 0.004 1 810 72 72 LYS HE2 H 2.989 0.002 1 811 72 72 LYS HE3 H 2.989 0.002 1 812 72 72 LYS C C 179.747 . 1 813 72 72 LYS CA C 59.641 0.032 1 814 72 72 LYS CB C 31.667 0.055 1 815 72 72 LYS CG C 25.054 0.026 1 816 72 72 LYS CD C 29.276 0.018 1 817 72 72 LYS CE C 42.172 0.019 1 818 72 72 LYS N N 121.523 0.051 1 819 73 73 THR H H 8.224 0.002 1 820 73 73 THR HA H 3.782 0.005 1 821 73 73 THR HB H 4.265 0.003 1 822 73 73 THR HG2 H 1.176 0.001 1 823 73 73 THR C C 175.555 . 1 824 73 73 THR CA C 66.941 0.035 1 825 73 73 THR CB C 68.158 0.026 1 826 73 73 THR CG2 C 23.333 0.004 1 827 73 73 THR N N 117.560 0.043 1 828 74 74 TRP H H 8.665 0.002 1 829 74 74 TRP HA H 4.624 0.001 1 830 74 74 TRP HB2 H 3.247 0.001 2 831 74 74 TRP HB3 H 3.278 0.002 2 832 74 74 TRP HD1 H 6.85 0.003 1 833 74 74 TRP HE1 H 10.298 0.005 1 834 74 74 TRP HE3 H 7.53 0.004 1 835 74 74 TRP HZ2 H 7.394 0.001 1 836 74 74 TRP HZ3 H 6.626 0.003 1 837 74 74 TRP HH2 H 6.845 0.001 1 838 74 74 TRP C C 175.927 . 1 839 74 74 TRP CA C 59.216 0.049 1 840 74 74 TRP CB C 30.896 0.064 1 841 74 74 TRP CD1 C 124.701 0.021 1 842 74 74 TRP CE3 C 121.932 0.122 1 843 74 74 TRP CZ2 C 115.262 0.08 1 844 74 74 TRP CZ3 C 120.167 0.111 1 845 74 74 TRP CH2 C 124.033 0.097 1 846 74 74 TRP N N 121.794 0.047 1 847 74 74 TRP NE1 N 128.941 0.022 1 848 75 75 GLY H H 8.132 0.003 1 849 75 75 GLY HA2 H 3.293 0.007 2 850 75 75 GLY HA3 H 3.813 0.001 2 851 75 75 GLY C C 177.151 . 1 852 75 75 GLY CA C 47.442 0.026 1 853 75 75 GLY N N 103.330 0.032 1 854 76 76 LEU H H 7.168 0.003 1 855 76 76 LEU HA H 4.113 0.002 1 856 76 76 LEU HB2 H 1.505 0.003 2 857 76 76 LEU HB3 H 2.031 0.001 2 858 76 76 LEU HG H 1.798 0.006 1 859 76 76 LEU HD1 H 0.935 0.001 2 860 76 76 LEU HD2 H 0.992 0.003 2 861 76 76 LEU C C 178.508 . 1 862 76 76 LEU CA C 57.464 0.019 1 863 76 76 LEU CB C 42.127 0.039 1 864 76 76 LEU CG C 27.101 0.068 1 865 76 76 LEU CD1 C 22.912 0.017 2 866 76 76 LEU CD2 C 26.145 0.047 2 867 76 76 LEU N N 121.353 0.026 1 868 77 77 VAL H H 8.181 0.001 1 869 77 77 VAL HA H 3.232 0.003 1 870 77 77 VAL HB H 2.016 0.003 1 871 77 77 VAL HG1 H 0.742 0.004 2 872 77 77 VAL HG2 H 0.901 0.0 2 873 77 77 VAL C C 176.469 . 1 874 77 77 VAL CA C 66.409 0.03 1 875 77 77 VAL CB C 31.649 0.047 1 876 77 77 VAL CG1 C 21.738 0.037 2 877 77 77 VAL CG2 C 23.784 0.03 2 878 77 77 VAL N N 120.538 0.053 1 879 78 78 LEU H H 8.719 0.003 1 880 78 78 LEU HA H 2.873 0.002 1 881 78 78 LEU HB2 H -0.55 0.006 2 882 78 78 LEU HB3 H 0.752 0.002 2 883 78 78 LEU HG H 0.668 0.015 1 884 78 78 LEU HD1 H -0.083 0.005 2 885 78 78 LEU HD2 H 0.465 0.002 2 886 78 78 LEU C C 178.373 . 1 887 78 78 LEU CA C 57.244 0.015 1 888 78 78 LEU CB C 39.448 0.022 1 889 78 78 LEU CG C 26.093 0.079 1 890 78 78 LEU CD1 C 22.175 0.025 2 891 78 78 LEU CD2 C 24.930 0.051 2 892 78 78 LEU N N 120.124 0.031 1 893 79 79 GLY H H 7.038 0.005 1 894 79 79 GLY HA2 H 3.37 0.006 2 895 79 79 GLY HA3 H 3.67 0.001 2 896 79 79 GLY C C 176.110 . 1 897 79 79 GLY CA C 46.898 0.037 1 898 79 79 GLY N N 102.352 0.026 1 899 80 80 ALA H H 7.375 0.004 1 900 80 80 ALA HA H 3.683 0.002 1 901 80 80 ALA HB H 1.471 0.003 1 902 80 80 ALA C C 179.186 . 1 903 80 80 ALA CA C 54.836 0.028 1 904 80 80 ALA CB C 19.378 0.023 1 905 80 80 ALA N N 124.528 0.028 1 906 81 81 LEU H H 8.442 0.001 1 907 81 81 LEU HA H 3.861 0.002 1 908 81 81 LEU HB2 H 1.274 0.003 2 909 81 81 LEU HB3 H 1.314 0.002 2 910 81 81 LEU HG H 1.691 0.002 1 911 81 81 LEU HD1 H 0.755 0.001 2 912 81 81 LEU HD2 H 0.632 0.001 2 913 81 81 LEU C C 180.428 . 1 914 81 81 LEU CA C 57.604 0.045 1 915 81 81 LEU CB C 41.206 0.036 1 916 81 81 LEU CG C 26.269 0.008 1 917 81 81 LEU CD1 C 21.770 0.021 2 918 81 81 LEU CD2 C 25.854 0.03 2 919 81 81 LEU N N 118.875 0.024 1 920 82 82 LYS H H 8.063 0.003 1 921 82 82 LYS HA H 3.872 0.005 1 922 82 82 LYS HB2 H 1.56 0.007 2 923 82 82 LYS HB3 H 1.701 0.002 2 924 82 82 LYS HG2 H 1.259 0.003 2 925 82 82 LYS HG3 H 1.292 0.004 2 926 82 82 LYS HD2 H 1.507 0.001 2 927 82 82 LYS HD3 H 1.507 0.001 2 928 82 82 LYS HE2 H 2.757 0.004 2 929 82 82 LYS HE3 H 2.967 0.005 2 930 82 82 LYS C C 179.193 . 1 931 82 82 LYS CA C 59.902 0.041 1 932 82 82 LYS CB C 32.690 0.028 1 933 82 82 LYS CG C 26.476 0.033 1 934 82 82 LYS CD C 29.828 0.035 1 935 82 82 LYS CE C 42.058 0.022 1 936 82 82 LYS N N 118.088 0.052 1 937 83 83 ALA H H 7.341 0.001 1 938 83 83 ALA HA H 3.944 0.003 1 939 83 83 ALA HB H 0.939 0.002 1 940 83 83 ALA C C 179.458 . 1 941 83 83 ALA CA C 54.213 0.018 1 942 83 83 ALA CB C 17.857 0.06 1 943 83 83 ALA N N 121.448 0.039 1 944 84 84 ALA H H 7.663 0.003 1 945 84 84 ALA HA H 4.147 0.004 1 946 84 84 ALA HB H 1.486 0.002 1 947 84 84 ALA C C 178.686 . 1 948 84 84 ALA CA C 53.434 0.028 1 949 84 84 ALA CB C 18.553 0.047 1 950 84 84 ALA N N 119.388 0.052 1 951 85 85 ARG H H 7.46 0.004 1 952 85 85 ARG HA H 4.333 0.003 1 953 85 85 ARG HB2 H 2.003 0.001 2 954 85 85 ARG HB3 H 2.08 0.001 2 955 85 85 ARG HG2 H 1.853 0.002 2 956 85 85 ARG HG3 H 1.905 0.001 2 957 85 85 ARG HD2 H 3.365 0.002 2 958 85 85 ARG HD3 H 3.448 0.001 2 959 85 85 ARG HE H 7.554 0.002 1 960 85 85 ARG C C 176.436 . 1 961 85 85 ARG CA C 56.671 0.017 1 962 85 85 ARG CB C 30.865 0.019 1 963 85 85 ARG CG C 27.364 0.03 1 964 85 85 ARG CD C 43.709 0.031 1 965 85 85 ARG CZ C 159.694 . 1 966 85 85 ARG N N 116.879 0.027 1 967 85 85 ARG NE N 84.327 0.055 1 968 86 86 GLU H H 7.884 0.002 1 969 86 86 GLU HA H 4.322 0.005 1 970 86 86 GLU HB2 H 1.982 0.001 2 971 86 86 GLU HB3 H 2.159 0.0 2 972 86 86 GLU HG2 H 2.296 0.002 2 973 86 86 GLU HG3 H 2.385 0.0 2 974 86 86 GLU C C 175.608 . 1 975 86 86 GLU CA C 56.534 0.026 1 976 86 86 GLU CB C 30.124 0.041 1 977 86 86 GLU CG C 36.199 0.028 1 978 86 86 GLU N N 120.500 0.032 1 979 87 87 GLU H H 7.775 0.004 1 980 87 87 GLU HA H 4.115 0.003 1 981 87 87 GLU HB2 H 1.941 0.001 2 982 87 87 GLU HB3 H 2.077 0.001 2 983 87 87 GLU HG2 H 2.291 0.001 1 984 87 87 GLU HG3 H 2.291 0.001 1 985 87 87 GLU C C 181.169 . 1 986 87 87 GLU CA C 58.222 0.026 1 987 87 87 GLU CB C 31.119 0.026 1 988 87 87 GLU CG C 36.567 0.033 1 989 87 87 GLU N N 126.284 0.047 1 stop_ save_ save_peak_list _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 $15N _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list >> _Spectral_peak_list.Entry_ID 27396 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '2D 1H-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 . . 3857.01171875 . . . . . . . 27396 1 >> 2 . . N 15 15N . . 1418.81396484 . . . . . . . 27396 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 48935292.00 . height 27396 1 >> 1 351982430.00 . volume 27396 1 >> 2 25428842.00 . height 27396 1 >> 2 191035799.00 . volume 27396 1 >> 3 10278410.00 . height 27396 1 >> 3 80753928.00 . volume 27396 1 >> 4 25969066.00 . height 27396 1 >> 4 193235971.00 . volume 27396 1 >> 5 25546782.00 . height 27396 1 >> 5 189040380.00 . volume 27396 1 >> 6 21981400.00 . height 27396 1 >> 6 163253804.00 . volume 27396 1 >> 7 14788040.00 . height 27396 1 >> 7 112350104.00 . volume 27396 1 >> 8 27762940.00 . height 27396 1 >> 8 206244746.00 . volume 27396 1 >> 9 19616910.00 . height 27396 1 >> 9 150818378.00 . volume 27396 1 >> 10 25041046.00 . height 27396 1 >> 10 187704600.00 . volume 27396 1 >> 11 22929934.00 . height 27396 1 >> 11 171214843.00 . volume 27396 1 >> 12 18812218.00 . height 27396 1 >> 12 142978728.00 . volume 27396 1 >> 13 19258238.00 . height 27396 1 >> 13 145540486.00 . volume 27396 1 >> 14 22308212.00 . height 27396 1 >> 14 170435810.00 . volume 27396 1 >> 15 28205362.00 . height 27396 1 >> 15 208967206.00 . volume 27396 1 >> 16 24535514.00 . height 27396 1 >> 16 183103168.00 . volume 27396 1 >> 17 21212000.00 . height 27396 1 >> 17 161643457.00 . volume 27396 1 >> 18 4093916.25 . height 27396 1 >> 18 33724913.50 . volume 27396 1 >> 19 25898204.00 . height 27396 1 >> 19 193416308.00 . volume 27396 1 >> 20 23683882.00 . height 27396 1 >> 20 176175828.00 . volume 27396 1 >> 21 23365222.00 . height 27396 1 >> 21 174812488.00 . volume 27396 1 >> 22 19078186.00 . height 27396 1 >> 22 143988349.00 . volume 27396 1 >> 23 32360692.00 . height 27396 1 >> 23 241694292.00 . volume 27396 1 >> 24 23235036.00 . height 27396 1 >> 24 178730358.00 . volume 27396 1 >> 25 29963556.00 . height 27396 1 >> 25 226846734.00 . volume 27396 1 >> 26 20559770.00 . height 27396 1 >> 26 155401659.00 . volume 27396 1 >> 27 19874204.00 . height 27396 1 >> 27 149190575.00 . volume 27396 1 >> 28 22948638.00 . height 27396 1 >> 28 174136325.00 . volume 27396 1 >> 29 35591348.00 . height 27396 1 >> 29 269653004.00 . volume 27396 1 >> 30 17091222.00 . height 27396 1 >> 30 130001297.00 . volume 27396 1 >> 31 11130234.00 . height 27396 1 >> 31 88102492.00 . volume 27396 1 >> 32 21407738.00 . height 27396 1 >> 32 162022251.00 . volume 27396 1 >> 33 20388078.00 . height 27396 1 >> 33 155189144.00 . volume 27396 1 >> 34 23155068.00 . height 27396 1 >> 34 175940361.00 . volume 27396 1 >> 35 22977052.00 . height 27396 1 >> 35 173660643.00 . volume 27396 1 >> 36 21107322.00 . height 27396 1 >> 36 160192508.00 . volume 27396 1 >> 37 27363356.00 . height 27396 1 >> 37 201091799.00 . volume 27396 1 >> 38 24948316.00 . height 27396 1 >> 38 188572775.00 . volume 27396 1 >> 39 20528030.00 . height 27396 1 >> 39 155390988.00 . volume 27396 1 >> 40 19902922.00 . height 27396 1 >> 40 153360859.00 . volume 27396 1 >> 41 25529314.00 . height 27396 1 >> 41 193691156.00 . volume 27396 1 >> 42 22248218.00 . height 27396 1 >> 42 166406891.00 . volume 27396 1 >> 43 22924712.00 . height 27396 1 >> 43 174666064.00 . volume 27396 1 >> 44 23169252.00 . height 27396 1 >> 44 175210782.00 . volume 27396 1 >> 45 21731980.00 . height 27396 1 >> 45 164304321.00 . volume 27396 1 >> 46 23671032.00 . height 27396 1 >> 46 179619710.00 . volume 27396 1 >> 47 24620898.00 . height 27396 1 >> 47 183081748.00 . volume 27396 1 >> 48 24001290.00 . height 27396 1 >> 48 182220990.00 . volume 27396 1 >> 49 23011172.00 . height 27396 1 >> 49 171083172.00 . volume 27396 1 >> 50 19474856.00 . height 27396 1 >> 50 148144812.00 . volume 27396 1 >> 51 26649342.00 . height 27396 1 >> 51 200573638.00 . volume 27396 1 >> 52 22217032.00 . height 27396 1 >> 52 166924916.00 . volume 27396 1 >> 53 25352388.00 . height 27396 1 >> 53 190785635.00 . volume 27396 1 >> 54 22645956.00 . height 27396 1 >> 54 173568235.00 . volume 27396 1 >> 55 20770398.00 . height 27396 1 >> 55 159021258.00 . volume 27396 1 >> 56 26953644.00 . height 27396 1 >> 56 202854210.00 . volume 27396 1 >> 57 24908212.00 . height 27396 1 >> 57 187948317.00 . volume 27396 1 >> 58 23653362.00 . height 27396 1 >> 58 177416732.00 . volume 27396 1 >> 59 30674680.00 . height 27396 1 >> 59 227373796.00 . volume 27396 1 >> 60 13059901.00 . height 27396 1 >> 60 102907360.00 . volume 27396 1 >> 61 22889688.00 . height 27396 1 >> 61 173378487.00 . volume 27396 1 >> 62 18490122.00 . height 27396 1 >> 62 141896672.00 . volume 27396 1 >> 63 24772152.00 . height 27396 1 >> 63 183582887.00 . volume 27396 1 >> 64 16249254.00 . height 27396 1 >> 64 126117558.00 . volume 27396 1 >> 65 21172140.00 . height 27396 1 >> 65 160674849.00 . volume 27396 1 >> 66 26159852.00 . height 27396 1 >> 66 196196294.00 . volume 27396 1 >> 67 23351408.00 . height 27396 1 >> 67 177986464.00 . volume 27396 1 >> 68 24219712.00 . height 27396 1 >> 68 181491022.00 . volume 27396 1 >> 69 23560518.00 . height 27396 1 >> 69 178572300.00 . volume 27396 1 >> 70 29213214.00 . height 27396 1 >> 70 220462372.00 . volume 27396 1 >> 71 29604910.00 . height 27396 1 >> 71 221691260.00 . volume 27396 1 >> 72 10874049.00 . height 27396 1 >> 72 86327022.00 . volume 27396 1 >> 73 21924100.00 . height 27396 1 >> 73 166870023.00 . volume 27396 1 >> 74 67518832.00 . height 27396 1 >> 74 448956900.00 . volume 27396 1 >> 75 61593688.00 . height 27396 1 >> 75 441311768.00 . volume 27396 1 >> 76 40970692.00 . height 27396 1 >> 76 283337240.00 . volume 27396 1 >> 77 43331500.00 . height 27396 1 >> 77 315594790.00 . volume 27396 1 >> 78 21739598.00 . height 27396 1 >> 78 167301133.00 . volume 27396 1 >> 79 25705984.00 . height 27396 1 >> 79 193075295.00 . volume 27396 1 >> 80 26252532.00 . height 27396 1 >> 80 196350338.00 . volume 27396 1 >> 81 20582384.00 . height 27396 1 >> 81 156821089.00 . volume 27396 1 >> 82 20990722.00 . height 27396 1 >> 82 161385384.00 . volume 27396 1 >> 83 -22723000.00 . height 27396 1 >> 83 -172726770.00 . volume 27396 1 >> 84 -19665964.00 . height 27396 1 >> 84 -150888374.00 . volume 27396 1 >> 85 -18237306.00 . height 27396 1 >> 85 -138233316.00 . volume 27396 1 >> 86 -16608413.00 . height 27396 1 >> 86 -128322869.00 . volume 27396 1 >> 87 -22228804.00 . height 27396 1 >> 87 -170236137.00 . volume 27396 1 >> 88 -23979946.00 . height 27396 1 >> 88 -183434570.00 . volume 27396 1 >> 89 2310736.75 . height 27396 1 >> 89 18928443.25 . volume 27396 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 7.767 . 18.6865578116 . . . . . . . . . . . 27396 1 >> 1 2 126.295 . 12.0972164443 . . . . . . . . . . . 27396 1 >> 2 1 8.307 . 21.8096973279 . . . . . . . . . . . 27396 1 >> 2 2 124.993 . 13.7235312039 . . . . . . . . . . . 27396 1 >> 3 1 7.831 . 28.1512999693 . . . . . . . . . . . 27396 1 >> 3 2 84.852 . 14.5833859223 . . . . . . . . . . . 27396 1 >> 4 1 8.053 . 20.5520204867 . . . . . . . . . . . 27396 1 >> 4 2 124.789 . 13.7003067437 . . . . . . . . . . . 27396 1 >> 5 1 8.197 . 20.1071769792 . . . . . . . . . . . 27396 1 >> 5 2 124.481 . 14.2633069828 . . . . . . . . . . . 27396 1 >> 6 1 7.368 . 20.9666547060 . . . . . . . . . . . 27396 1 >> 6 2 124.488 . 13.8113866835 . . . . . . . . . . . 27396 1 >> 7 1 7.549 . 23.3037266310 . . . . . . . . . . . 27396 1 >> 7 2 84.334 . 14.3018065203 . . . . . . . . . . . 27396 1 >> 8 1 8.503 . 20.8804095362 . . . . . . . . . . . 27396 1 >> 8 2 123.837 . 13.7945682419 . . . . . . . . . . . 27396 1 >> 9 1 9.037 . 23.9476696957 . . . . . . . . . . . 27396 1 >> 9 2 123.309 . 14.4640288991 . . . . . . . . . . . 27396 1 >> 10 1 8.347 . 21.3542101334 . . . . . . . . . . . 27396 1 >> 10 2 123.194 . 13.8465775018 . . . . . . . . . . . 27396 1 >> 11 1 7.599 . 21.1546410018 . . . . . . . . . . . 27396 1 >> 11 2 122.962 . 13.8350762671 . . . . . . . . . . . 27396 1 >> 12 1 8.468 . 22.1646955950 . . . . . . . . . . . 27396 1 >> 12 2 122.476 . 15.3173613180 . . . . . . . . . . . 27396 1 >> 13 1 7.242 . 22.8582570242 . . . . . . . . . . . 27396 1 >> 13 2 122.328 . 13.7869359887 . . . . . . . . . . . 27396 1 >> 14 1 8.662 . 23.3029440069 . . . . . . . . . . . 27396 1 >> 14 2 122.112 . 14.6204160925 . . . . . . . . . . . 27396 1 >> 15 1 7.895 . 20.3115983799 . . . . . . . . . . . 27396 1 >> 15 2 122.086 . 14.0982092954 . . . . . . . . . . . 27396 1 >> 16 1 8.425 . 21.4122808376 . . . . . . . . . . . 27396 1 >> 16 2 121.833 . 13.7936168530 . . . . . . . . . . . 27396 1 >> 17 1 8.660 . 23.0927311883 . . . . . . . . . . . 27396 1 >> 17 2 121.769 . 14.4007298241 . . . . . . . . . . . 27396 1 >> 18 1 9.105 . 42.0898342212 . . . . . . . . . . . 27396 1 >> 18 2 121.488 . 16.7038520775 . . . . . . . . . . . 27396 1 >> 19 1 7.932 . 20.7733465668 . . . . . . . . . . . 27396 1 >> 19 2 121.500 . 14.7319400138 . . . . . . . . . . . 27396 1 >> 20 1 7.333 . 21.2437036182 . . . . . . . . . . . 27396 1 >> 20 2 121.410 . 13.6539106783 . . . . . . . . . . . 27396 1 >> 21 1 7.660 . 21.4575165074 . . . . . . . . . . . 27396 1 >> 21 2 121.358 . 13.8407634586 . . . . . . . . . . . 27396 1 >> 22 1 7.160 . 22.0446410664 . . . . . . . . . . . 27396 1 >> 22 2 121.307 . 13.9165785830 . . . . . . . . . . . 27396 1 >> 23 1 7.962 . 21.0630739884 . . . . . . . . . . . 27396 1 >> 23 2 121.203 . 14.2676199458 . . . . . . . . . . . 27396 1 >> 24 1 7.869 . 23.4442859095 . . . . . . . . . . . 27396 1 >> 24 2 121.184 . 14.6128261233 . . . . . . . . . . . 27396 1 >> 25 1 7.887 . 21.2147465285 . . . . . . . . . . . 27396 1 >> 25 2 120.697 . 27.8623330924 . . . . . . . . . . . 27396 1 >> 26 1 9.050 . 22.6325482495 . . . . . . . . . . . 27396 1 >> 26 2 120.674 . 13.8895591382 . . . . . . . . . . . 27396 1 >> 27 1 8.174 . 21.9255256867 . . . . . . . . . . . 27396 1 >> 27 2 120.516 . 14.0567498812 . . . . . . . . . . . 27396 1 >> 28 1 7.999 . 22.3439165015 . . . . . . . . . . . 27396 1 >> 28 2 120.517 . 14.7325742731 . . . . . . . . . . . 27396 1 >> 29 1 7.879 . 20.2965719982 . . . . . . . . . . . 27396 1 >> 29 2 120.500 . 26.1130460317 . . . . . . . . . . . 27396 1 >> 30 1 9.309 . 24.0303930573 . . . . . . . . . . . 27396 1 >> 30 2 120.146 . 13.9210606819 . . . . . . . . . . . 27396 1 >> 31 1 8.308 . 28.9774379118 . . . . . . . . . . . 27396 1 >> 31 2 120.162 . 15.3025619351 . . . . . . . . . . . 27396 1 >> 32 1 8.714 . 22.3556558621 . . . . . . . . . . . 27396 1 >> 32 2 120.064 . 14.4531196397 . . . . . . . . . . . 27396 1 >> 33 1 8.626 . 22.8040994403 . . . . . . . . . . . 27396 1 >> 33 2 119.923 . 14.7547310635 . . . . . . . . . . . 27396 1 >> 34 1 7.830 . 22.4924585453 . . . . . . . . . . . 27396 1 >> 34 2 119.744 . 14.2426301307 . . . . . . . . . . . 27396 1 >> 35 1 7.640 . 22.2601757286 . . . . . . . . . . . 27396 1 >> 35 2 119.670 . 14.4711326029 . . . . . . . . . . . 27396 1 >> 36 1 8.183 . 22.4816583335 . . . . . . . . . . . 27396 1 >> 36 2 119.485 . 14.4992091465 . . . . . . . . . . . 27396 1 >> 37 1 7.654 . 19.6217935461 . . . . . . . . . . . 27396 1 >> 37 2 119.359 . 13.9637674726 . . . . . . . . . . . 27396 1 >> 38 1 7.824 . 21.9721700798 . . . . . . . . . . . 27396 1 >> 38 2 119.245 . 14.3879177869 . . . . . . . . . . . 27396 1 >> 39 1 7.406 . 23.2074638734 . . . . . . . . . . . 27396 1 >> 39 2 118.989 . 13.7138270371 . . . . . . . . . . . 27396 1 >> 40 1 7.162 . 25.7467658517 . . . . . . . . . . . 27396 1 >> 40 2 119.002 . 13.4269727122 . . . . . . . . . . . 27396 1 >> 41 1 8.573 . 22.3872738736 . . . . . . . . . . . 27396 1 >> 41 2 118.948 . 14.0411471032 . . . . . . . . . . . 27396 1 >> 42 1 8.435 . 21.1397711449 . . . . . . . . . . . 27396 1 >> 42 2 118.823 . 13.9244433980 . . . . . . . . . . . 27396 1 >> 43 1 7.879 . 22.7068975338 . . . . . . . . . . . 27396 1 >> 43 2 118.796 . 14.1369202527 . . . . . . . . . . . 27396 1 >> 44 1 7.706 . 22.7378894460 . . . . . . . . . . . 27396 1 >> 44 2 118.778 . 13.9097708669 . . . . . . . . . . . 27396 1 >> 45 1 8.905 . 22.2875675702 . . . . . . . . . . . 27396 1 >> 45 2 118.415 . 14.1433896972 . . . . . . . . . . . 27396 1 >> 46 1 8.645 . 22.6500790281 . . . . . . . . . . . 27396 1 >> 46 2 118.050 . 14.0875325977 . . . . . . . . . . . 27396 1 >> 47 1 8.057 . 20.8913662728 . . . . . . . . . . . 27396 1 >> 47 2 118.057 . 13.9771714851 . . . . . . . . . . . 27396 1 >> 48 1 8.210 . 23.4037459840 . . . . . . . . . . . 27396 1 >> 48 2 118.013 . 13.8052872235 . . . . . . . . . . . 27396 1 >> 49 1 7.464 . 20.6731706889 . . . . . . . . . . . 27396 1 >> 49 2 117.910 . 14.3513844531 . . . . . . . . . . . 27396 1 >> 50 1 7.981 . 21.9078383833 . . . . . . . . . . . 27396 1 >> 50 2 117.763 . 14.6600572968 . . . . . . . . . . . 27396 1 >> 51 1 8.107 . 21.9817180932 . . . . . . . . . . . 27396 1 >> 51 2 117.655 . 14.1849125373 . . . . . . . . . . . 27396 1 >> 52 1 8.219 . 21.2523124827 . . . . . . . . . . . 27396 1 >> 52 2 117.525 . 14.8115606939 . . . . . . . . . . . 27396 1 >> 53 1 8.496 . 21.3790975781 . . . . . . . . . . . 27396 1 >> 53 2 117.523 . 14.8348168670 . . . . . . . . . . . 27396 1 >> 54 1 8.779 . 24.3133116498 . . . . . . . . . . . 27396 1 >> 54 2 117.476 . 14.0345508069 . . . . . . . . . . . 27396 1 >> 55 1 7.956 . 22.7139411502 . . . . . . . . . . . 27396 1 >> 55 2 117.102 . 14.8105035951 . . . . . . . . . . . 27396 1 >> 56 1 7.451 . 21.0746568243 . . . . . . . . . . . 27396 1 >> 56 2 116.861 . 13.6302316656 . . . . . . . . . . . 27396 1 >> 57 1 8.134 . 21.3349575819 . . . . . . . . . . . 27396 1 >> 57 2 116.619 . 14.6539261239 . . . . . . . . . . . 27396 1 >> 58 1 8.707 . 21.4442118986 . . . . . . . . . . . 27396 1 >> 58 2 116.476 . 13.9915903124 . . . . . . . . . . . 27396 1 >> 59 1 7.863 . 20.3845389409 . . . . . . . . . . . 27396 1 >> 59 2 116.481 . 13.6580545055 . . . . . . . . . . . 27396 1 >> 60 1 8.520 . 27.5525925744 . . . . . . . . . . . 27396 1 >> 60 2 116.407 . 15.3641273680 . . . . . . . . . . . 27396 1 >> 61 1 8.028 . 22.6946885987 . . . . . . . . . . . 27396 1 >> 61 2 116.422 . 14.3338366134 . . . . . . . . . . . 27396 1 >> 62 1 8.921 . 23.7036475183 . . . . . . . . . . . 27396 1 >> 62 2 116.181 . 14.2084224141 . . . . . . . . . . . 27396 1 >> 63 1 7.486 . 20.8858879045 . . . . . . . . . . . 27396 1 >> 63 2 115.721 . 13.4467193174 . . . . . . . . . . . 27396 1 >> 64 1 7.063 . 25.0993792411 . . . . . . . . . . . 27396 1 >> 64 2 115.672 . 13.9399193241 . . . . . . . . . . . 27396 1 >> 65 1 8.985 . 22.0305538336 . . . . . . . . . . . 27396 1 >> 65 2 115.548 . 15.1539761306 . . . . . . . . . . . 27396 1 >> 66 1 7.946 . 21.0668305839 . . . . . . . . . . . 27396 1 >> 66 2 114.823 . 14.0035143867 . . . . . . . . . . . 27396 1 >> 67 1 8.031 . 23.4120417989 . . . . . . . . . . . 27396 1 >> 67 2 114.592 . 13.8905316691 . . . . . . . . . . . 27396 1 >> 68 1 7.686 . 21.1743631277 . . . . . . . . . . . 27396 1 >> 68 2 114.305 . 13.6473143819 . . . . . . . . . . . 27396 1 >> 69 1 7.487 . 22.3947870644 . . . . . . . . . . . 27396 1 >> 69 2 114.222 . 14.0693927826 . . . . . . . . . . . 27396 1 >> 70 1 7.762 . 22.1989745282 . . . . . . . . . . . 27396 1 >> 70 2 114.084 . 13.4135686997 . . . . . . . . . . . 27396 1 >> 71 1 8.398 . 21.3798802021 . . . . . . . . . . . 27396 1 >> 71 2 113.977 . 13.7022835184 . . . . . . . . . . . 27396 1 >> 72 1 9.036 . 27.7820579446 . . . . . . . . . . . 27396 1 >> 72 2 113.532 . 16.2464242935 . . . . . . . . . . . 27396 1 >> 73 1 7.194 . 22.3880564976 . . . . . . . . . . . 27396 1 >> 73 2 112.730 . 14.8085162494 . . . . . . . . . . . 27396 1 >> 74 1 7.391 . 15.1115311714 . . . . . . . . . . . 27396 1 >> 74 2 111.169 . 11.8724878147 . . . . . . . . . . . 27396 1 >> 75 1 6.799 . 18.4045001056 . . . . . . . . . . . 27396 1 >> 75 2 111.169 . 11.9253427537 . . . . . . . . . . . 27396 1 >> 76 1 7.265 . 17.1677975888 . . . . . . . . . . . 27396 1 >> 76 2 110.038 . 12.2573563384 . . . . . . . . . . . 27396 1 >> 77 1 6.852 . 19.4444509374 . . . . . . . . . . . 27396 1 >> 77 2 110.042 . 12.7347421473 . . . . . . . . . . . 27396 1 >> 78 1 7.598 . 22.8380653238 . . . . . . . . . . . 27396 1 >> 78 2 109.801 . 14.3453378481 . . . . . . . . . . . 27396 1 >> 79 1 7.767 . 21.8413153394 . . . . . . . . . . . 27396 1 >> 79 2 108.956 . 13.3648575879 . . . . . . . . . . . 27396 1 >> 80 1 7.698 . 20.3893912100 . . . . . . . . . . . 27396 1 >> 80 2 107.815 . 15.0211199560 . . . . . . . . . . . 27396 1 >> 81 1 7.609 . 23.8957034590 . . . . . . . . . . . 27396 1 >> 81 2 107.725 . 13.4495100582 . . . . . . . . . . . 27396 1 >> 82 1 8.786 . 24.2810675391 . . . . . . . . . . . 27396 1 >> 82 2 107.294 . 13.7073575926 . . . . . . . . . . . 27396 1 >> 83 1 7.679 . 22.3348380625 . . . . . . . . . . . 27396 1 >> 83 2 106.760 . 13.9834480091 . . . . . . . . . . . 27396 1 >> 84 1 7.972 . 23.2198293333 . . . . . . . . . . . 27396 1 >> 84 2 104.888 . 14.2275770440 . . . . . . . . . . . 27396 1 >> 85 1 8.123 . 22.1877047420 . . . . . . . . . . . 27396 1 >> 85 2 103.310 . 14.4793145474 . . . . . . . . . . . 27396 1 >> 86 1 7.032 . 24.1386299628 . . . . . . . . . . . 27396 1 >> 86 2 102.341 . 14.9273764362 . . . . . . . . . . . 27396 1 >> 87 1 10.433 . 24.6134088400 . . . . . . . . . . . 27396 1 >> 87 2 129.300 . 13.2408810430 . . . . . . . . . . . 27396 1 >> 88 1 10.292 . 24.5732602265 . . . . . . . . . . . 27396 1 >> 88 2 128.870 . 13.3716230201 . . . . . . . . . . . 27396 1 >> 89 1 8.934 . 33.6963478571 . . . . . . . . . . . 27396 1 >> 89 2 125.825 . 20.2772582214 . . . . . . . . . . . 27396 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 . . 7.773 . . 1 1 1 87 GLU H . . . . . . . . . . 155 . 27396 1 >> 1 2 1 . . 126.295 . . 1 1 1 87 GLU N . . . . . . . . . . 156 . 27396 1 >> 2 1 1 . . 8.313 . . 1 1 1 28 ALA H . . . . . . . . . . 123 . 27396 1 >> 2 2 1 . . 124.993 . . 1 1 1 28 ALA N . . . . . . . . . . 124 . 27396 1 >> 3 1 2 . . 7.837 . . 1 1 1 61 ARG HE . . . . . . . . . . 859 . 27396 1 >> 3 2 1 . . 84.852 . . 1 1 1 61 ARG NE . . . . . . . . . . 82 . 27396 1 >> 4 1 1 . . 8.059 . . 1 1 1 11 ALA H . . . . . . . . . . 42 . 27396 1 >> 4 2 1 . . 124.789 . . 1 1 1 11 ALA N . . . . . . . . . . 43 . 27396 1 >> 5 1 1 . . 8.203 . . 1 1 1 44 ASP H . . . . . . . . . . 13 . 27396 1 >> 5 2 1 . . 124.481 . . 1 1 1 44 ASP N . . . . . . . . . . 14 . 27396 1 >> 6 1 1 . . 7.374 . . 1 1 1 80 ALA H . . . . . . . . . . 145 . 27396 1 >> 6 2 1 . . 124.488 . . 1 1 1 80 ALA N . . . . . . . . . . 146 . 27396 1 >> 7 1 2 . . 7.555 . . 1 1 1 85 ARG HE . . . . . . . . . . 860 . 27396 1 >> 7 2 1 . . 84.334 . . 1 1 1 85 ARG NE . . . . . . . . . . 109 . 27396 1 >> 8 1 1 . . 8.509 . . 1 1 1 56 ALA H . . . . . . . . . . 68 . 27396 1 >> 8 2 1 . . 123.837 . . 1 1 1 56 ALA N . . . . . . . . . . 69 . 27396 1 >> 9 1 1 . . 9.043 . . 1 1 1 40 MET H . . . . . . . . . . 23 . 27396 1 >> 9 2 1 . . 123.309 . . 1 1 1 40 MET N . . . . . . . . . . 24 . 27396 1 >> 10 1 1 . . 8.353 . . 1 1 1 35 LYS H . . . . . . . . . . 11 . 27396 1 >> 10 2 1 . . 123.194 . . 1 1 1 35 LYS N . . . . . . . . . . 12 . 27396 1 >> 11 1 1 . . 7.605 . . 1 1 1 32 LEU H . . . . . . . . . . 153 . 27396 1 >> 11 2 1 . . 122.962 . . 1 1 1 32 LEU N . . . . . . . . . . 154 . 27396 1 >> 12 1 1 . . 8.474 . . 1 1 1 3 ALA H . . . . . . . . . . 161 . 27396 1 >> 12 2 1 . . 122.476 . . 1 1 1 3 ALA N . . . . . . . . . . 162 . 27396 1 >> 13 1 1 . . 7.248 . . 1 1 1 51 TRP H . . . . . . . . . . 31 . 27396 1 >> 13 2 1 . . 122.328 . . 1 1 1 51 TRP N . . . . . . . . . . 32 . 27396 1 >> 14 1 1 . . 8.668 . . 1 1 1 26 ILE H . . . . . . . . . . 163 . 27396 1 >> 14 2 1 . . 122.112 . . 1 1 1 26 ILE N . . . . . . . . . . 164 . 27396 1 >> 15 1 1 . . 7.901 . . 1 1 1 60 GLN H . . . . . . . . . . 171 . 27396 1 >> 15 2 1 . . 122.086 . . 1 1 1 60 GLN N . . . . . . . . . . 172 . 27396 1 >> 16 1 1 . . 8.431 . . 1 1 1 13 LYS H . . . . . . . . . . 7 . 27396 1 >> 16 2 1 . . 121.833 . . 1 1 1 13 LYS N . . . . . . . . . . 8 . 27396 1 >> 17 1 1 . . 8.666 . . 1 1 1 74 TRP H . . . . . . . . . . 135 . 27396 1 >> 17 2 1 . . 121.769 . . 1 1 1 74 TRP N . . . . . . . . . . 136 . 27396 1 >> 18 1 1 . . 9.111 . . 1 1 1 23 LYS H . . . . . . . . . . 133 . 27396 1 >> 18 2 1 . . 121.488 . . 1 1 1 23 LYS N . . . . . . . . . . 134 . 27396 1 >> 19 1 1 . . 7.938 . . 1 1 1 72 LYS H . . . . . . . . . . 97 . 27396 1 >> 19 2 1 . . 121.500 . . 1 1 1 72 LYS N . . . . . . . . . . 98 . 27396 1 >> 20 1 1 . . 7.339 . . 1 1 1 83 ALA H . . . . . . . . . . 60 . 27396 1 >> 20 2 1 . . 121.410 . . 1 1 1 83 ALA N . . . . . . . . . . 61 . 27396 1 >> 21 1 1 . . 7.666 . . 1 1 1 7 VAL H . . . . . . . . . . 54 . 27396 1 >> 21 2 1 . . 121.358 . . 1 1 1 7 VAL N . . . . . . . . . . 55 . 27396 1 >> 22 1 1 . . 7.166 . . 1 1 1 76 LEU H . . . . . . . . . . 151 . 27396 1 >> 22 2 1 . . 121.307 . . 1 1 1 76 LEU N . . . . . . . . . . 152 . 27396 1 >> 23 1 1 . . 7.968 . . 1 1 1 57 ALA H . . . . . . . . . . 112 . 27396 1 >> 23 2 1 . . 121.203 . . 1 1 1 57 ALA N . . . . . . . . . . 113 . 27396 1 >> 24 1 1 . . 7.875 . . 1 1 1 25 GLU H . . . . . . . . . . 72 . 27396 1 >> 24 2 1 . . 121.184 . . 1 1 1 25 GLU N . . . . . . . . . . 73 . 27396 1 >> 25 1 1 . . 7.893 . . 1 1 1 62 ALA H . . . . . . . . . . 27 . 27396 1 >> 25 2 1 . . 120.697 . . 1 1 1 62 ALA N . . . . . . . . . . 28 . 27396 1 >> 26 1 1 . . 9.056 . . 1 1 1 70 GLU H . . . . . . . . . . 165 . 27396 1 >> 26 2 1 . . 120.674 . . 1 1 1 70 GLU N . . . . . . . . . . 166 . 27396 1 >> 27 1 1 . . 8.18 . . 1 1 1 77 VAL H . . . . . . . . . . 39 . 27396 1 >> 27 2 1 . . 120.516 . . 1 1 1 77 VAL N . . . . . . . . . . 40 . 27396 1 >> 28 1 1 . . 8.005 . . 1 1 1 6 LYS H . . . . . . . . . . 87 . 27396 1 >> 28 2 1 . . 120.517 . . 1 1 1 6 LYS N . . . . . . . . . . 88 . 27396 1 >> 29 1 1 . . 7.885 . . 1 1 1 86 GLU H . . . . . . . . . . 48 . 27396 1 >> 29 2 1 . . 120.500 . . 1 1 1 86 GLU N . . . . . . . . . . 49 . 27396 1 >> 30 1 1 . . 9.315 . . 1 1 1 52 ASP H . . . . . . . . . . 93 . 27396 1 >> 30 2 1 . . 120.146 . . 1 1 1 52 ASP N . . . . . . . . . . 94 . 27396 1 >> 31 1 1 . . 8.314 . . 1 1 1 24 LYS H . . . . . . . . . . 129 . 27396 1 >> 31 2 1 . . 120.162 . . 1 1 1 24 LYS N . . . . . . . . . . 130 . 27396 1 >> 32 1 1 . . 8.72 . . 1 1 1 78 LEU H . . . . . . . . . . 3 . 27396 1 >> 32 2 1 . . 120.064 . . 1 1 1 78 LEU N . . . . . . . . . . 4 . 27396 1 >> 33 1 1 . . 8.632 . . 1 1 1 8 ILE H . . . . . . . . . . 119 . 27396 1 >> 33 2 1 . . 119.923 . . 1 1 1 8 ILE N . . . . . . . . . . 120 . 27396 1 >> 34 1 1 . . 7.836 . . 1 1 1 29 MET H . . . . . . . . . . 116 . 27396 1 >> 34 2 1 . . 119.744 . . 1 1 1 29 MET N . . . . . . . . . . 117 . 27396 1 >> 35 1 1 . . 7.646 . . 1 1 1 71 LEU H . . . . . . . . . . 35 . 27396 1 >> 35 2 1 . . 119.670 . . 1 1 1 71 LEU N . . . . . . . . . . 36 . 27396 1 >> 36 1 1 . . 8.189 . . 1 1 1 5 ILE H . . . . . . . . . . 56 . 27396 1 >> 36 2 1 . . 119.485 . . 1 1 1 5 ILE N . . . . . . . . . . 57 . 27396 1 >> 37 1 1 . . 7.66 . . 1 1 1 84 ALA H . . . . . . . . . . 143 . 27396 1 >> 37 2 1 . . 119.359 . . 1 1 1 84 ALA N . . . . . . . . . . 144 . 27396 1 >> 38 1 1 . . 7.83 . . 1 1 1 61 ARG H . . . . . . . . . . 25 . 27396 1 >> 38 2 1 . . 119.245 . . 1 1 1 61 ARG N . . . . . . . . . . 26 . 27396 1 >> 39 1 1 . . 7.412 . . 1 1 1 54 ILE H . . . . . . . . . . 70 . 27396 1 >> 39 2 1 . . 118.989 . . 1 1 1 54 ILE N . . . . . . . . . . 71 . 27396 1 >> 40 1 1 . . 7.168 . . 1 1 1 67 LYS H . . . . . . . . . . 37 . 27396 1 >> 40 2 1 . . 119.002 . . 1 1 1 67 LYS N . . . . . . . . . . 38 . 27396 1 >> 41 1 1 . . 8.579 . . 1 1 1 30 LEU H . . . . . . . . . . 44 . 27396 1 >> 41 2 1 . . 118.948 . . 1 1 1 30 LEU N . . . . . . . . . . 45 . 27396 1 >> 42 1 1 . . 8.441 . . 1 1 1 81 LEU H . . . . . . . . . . 5 . 27396 1 >> 42 2 1 . . 118.823 . . 1 1 1 81 LEU N . . . . . . . . . . 6 . 27396 1 >> 43 1 1 . . 7.885 . . 1 1 1 38 LEU H . . . . . . . . . . 149 . 27396 1 >> 43 2 1 . . 118.796 . . 1 1 1 38 LEU N . . . . . . . . . . 150 . 27396 1 >> 44 1 1 . . 7.712 . . 1 1 1 4 VAL H . . . . . . . . . . 99 . 27396 1 >> 44 2 1 . . 118.778 . . 1 1 1 4 VAL N . . . . . . . . . . 100 . 27396 1 >> 45 1 1 . . 8.911 . . 1 1 1 22 SER H . . . . . . . . . . 62 . 27396 1 >> 45 2 1 . . 118.415 . . 1 1 1 22 SER N . . . . . . . . . . 63 . 27396 1 >> 46 1 1 . . 8.651 . . 1 1 1 55 THR H . . . . . . . . . . 17 . 27396 1 >> 46 2 1 . . 118.050 . . 1 1 1 55 THR N . . . . . . . . . . 18 . 27396 1 >> 47 1 1 . . 8.063 . . 1 1 1 82 LYS H . . . . . . . . . . 46 . 27396 1 >> 47 2 1 . . 118.057 . . 1 1 1 82 LYS N . . . . . . . . . . 47 . 27396 1 >> 48 1 1 . . 8.216 . . 1 1 1 64 ILE H . . . . . . . . . . 114 . 27396 1 >> 48 2 1 . . 118.013 . . 1 1 1 64 ILE N . . . . . . . . . . 115 . 27396 1 >> 49 1 1 . . 7.47 . . 1 1 1 45 LEU H . . . . . . . . . . 74 . 27396 1 >> 49 2 1 . . 117.910 . . 1 1 1 45 LEU N . . . . . . . . . . 75 . 27396 1 >> 50 1 1 . . 7.987 . . 1 1 1 15 TYR H . . . . . . . . . . 29 . 27396 1 >> 50 2 1 . . 117.763 . . 1 1 1 15 TYR N . . . . . . . . . . 30 . 27396 1 >> 51 1 1 . . 8.113 . . 1 1 1 34 GLN H . . . . . . . . . . 167 . 27396 1 >> 51 2 1 . . 117.655 . . 1 1 1 34 GLN N . . . . . . . . . . 168 . 27396 1 >> 52 1 1 . . 8.225 . . 1 1 1 73 THR H . . . . . . . . . . 85 . 27396 1 >> 52 2 1 . . 117.525 . . 1 1 1 73 THR N . . . . . . . . . . 86 . 27396 1 >> 53 1 1 . . 8.502 . . 1 1 1 59 SER H . . . . . . . . . . 131 . 27396 1 >> 53 2 1 . . 117.523 . . 1 1 1 59 SER N . . . . . . . . . . 132 . 27396 1 >> 54 1 1 . . 8.785 . . 1 1 1 58 LEU H . . . . . . . . . . 121 . 27396 1 >> 54 2 1 . . 117.476 . . 1 1 1 58 LEU N . . . . . . . . . . 122 . 27396 1 >> 55 1 1 . . 7.962 . . 1 1 1 65 LEU H . . . . . . . . . . 52 . 27396 1 >> 55 2 1 . . 117.102 . . 1 1 1 65 LEU N . . . . . . . . . . 53 . 27396 1 >> 56 1 1 . . 7.457 . . 1 1 1 85 ARG H . . . . . . . . . . 9 . 27396 1 >> 56 2 1 . . 116.861 . . 1 1 1 85 ARG N . . . . . . . . . . 10 . 27396 1 >> 57 1 1 . . 8.14 . . 1 1 1 10 SER H . . . . . . . . . . 141 . 27396 1 >> 57 2 1 . . 116.619 . . 1 1 1 10 SER N . . . . . . . . . . 142 . 27396 1 >> 58 1 1 . . 8.713 . . 1 1 1 12 CYS H . . . . . . . . . . 105 . 27396 1 >> 58 2 1 . . 116.476 . . 1 1 1 12 CYS N . . . . . . . . . . 106 . 27396 1 >> 59 1 1 . . 7.869 . . 1 1 1 63 MET H . . . . . . . . . . 66 . 27396 1 >> 59 2 1 . . 116.481 . . 1 1 1 63 MET N . . . . . . . . . . 67 . 27396 1 >> 60 1 1 . . 8.526 . . 1 1 1 68 SER H . . . . . . . . . . 21 . 27396 1 >> 60 2 1 . . 116.407 . . 1 1 1 68 SER N . . . . . . . . . . 22 . 27396 1 >> 61 1 1 . . 8.034 . . 1 1 1 33 LEU H . . . . . . . . . . 157 . 27396 1 >> 61 2 1 . . 116.422 . . 1 1 1 33 LEU N . . . . . . . . . . 158 . 27396 1 >> 62 1 1 . . 8.927 . . 1 1 1 16 CYS H . . . . . . . . . . 107 . 27396 1 >> 62 2 1 . . 116.181 . . 1 1 1 16 CYS N . . . . . . . . . . 108 . 27396 1 >> 63 1 1 . . 7.492 . . 1 1 1 20 SER H . . . . . . . . . . 80 . 27396 1 >> 63 2 1 . . 115.721 . . 1 1 1 20 SER N . . . . . . . . . . 81 . 27396 1 >> 64 1 1 . . 7.069 . . 1 1 1 39 LEU H . . . . . . . . . . 76 . 27396 1 >> 64 2 1 . . 115.672 . . 1 1 1 39 LEU N . . . . . . . . . . 77 . 27396 1 >> 65 1 1 . . 8.991 . . 1 1 1 9 SER H . . . . . . . . . . 127 . 27396 1 >> 65 2 1 . . 115.548 . . 1 1 1 9 SER N . . . . . . . . . . 128 . 27396 1 >> 66 1 1 . . 7.952 . . 1 1 1 50 SER H . . . . . . . . . . 91 . 27396 1 >> 66 2 1 . . 114.823 . . 1 1 1 50 SER N . . . . . . . . . . 92 . 27396 1 >> 67 1 1 . . 8.037 . . 1 1 1 36 GLU H . . . . . . . . . . 159 . 27396 1 >> 67 2 1 . . 114.592 . . 1 1 1 36 GLU N . . . . . . . . . . 160 . 27396 1 >> 68 1 1 . . 7.692 . . 1 1 1 14 THR H . . . . . . . . . . 95 . 27396 1 >> 68 2 1 . . 114.305 . . 1 1 1 14 THR N . . . . . . . . . . 96 . 27396 1 >> 69 1 1 . . 7.493 . . 1 1 1 47 SER H . . . . . . . . . . 139 . 27396 1 >> 69 2 1 . . 114.222 . . 1 1 1 47 SER N . . . . . . . . . . 140 . 27396 1 >> 70 1 1 . . 7.768 . . 1 1 1 41 SER H . . . . . . . . . . 103 . 27396 1 >> 70 2 1 . . 114.084 . . 1 1 1 41 SER N . . . . . . . . . . 104 . 27396 1 >> 71 1 1 . . 8.404 . . 1 1 1 31 SER H . . . . . . . . . . 64 . 27396 1 >> 71 2 1 . . 113.977 . . 1 1 1 31 SER N . . . . . . . . . . 65 . 27396 1 >> 72 1 1 . . 9.042 . . 1 1 1 69 GLY H . . . . . . . . . . 19 . 27396 1 >> 72 2 1 . . 113.532 . . 1 1 1 69 GLY N . . . . . . . . . . 20 . 27396 1 >> 73 1 1 . . 7.2 . . 1 1 1 46 TYR H . . . . . . . . . . 169 . 27396 1 >> 73 2 1 . . 112.730 . . 1 1 1 46 TYR N . . . . . . . . . . 170 . 27396 1 >> 74 1 1 . . 7.397 . . 1 1 1 60 GLN HE22 . . . . . . . . . . 118 . 27396 1 >> 74 2 1 . . 111.169 . . 1 1 1 60 GLN NE2 . . . . . . . . . . 79 . 27396 1 >> 75 1 1 . . 6.805 . . 1 1 1 60 GLN HE21 . . . . . . . . . . 78 . 27396 1 >> 75 2 1 . . 111.169 . . 1 1 1 60 GLN NE2 . . . . . . . . . . 79 . 27396 1 >> 76 1 1 . . 7.271 . . 1 1 1 34 GLN HE21 . . . . . . . . . . 33 . 27396 1 >> 76 2 1 . . 110.038 . . 1 1 1 34 GLN NE2 . . . . . . . . . . 34 . 27396 1 >> 77 1 1 . . 6.858 . . 1 1 1 34 GLN HE22 . . . . . . . . . . 41 . 27396 1 >> 77 2 1 . . 110.042 . . 1 1 1 34 GLN NE2 . . . . . . . . . . 34 . 27396 1 >> 78 1 1 . . 7.604 . . 1 1 1 19 THR H . . . . . . . . . . 89 . 27396 1 >> 78 2 1 . . 109.801 . . 1 1 1 19 THR N . . . . . . . . . . 90 . 27396 1 >> 79 1 1 . . 7.773 . . 1 1 1 17 GLY H . . . . . . . . . . 50 . 27396 1 >> 79 2 1 . . 108.956 . . 1 1 1 17 GLY N . . . . . . . . . . 51 . 27396 1 >> 80 1 1 . . 7.704 . . 1 1 1 43 SER H . . . . . . . . . . 1 . 27396 1 >> 80 2 1 . . 107.815 . . 1 1 1 43 SER N . . . . . . . . . . 2 . 27396 1 >> 81 1 1 . . 7.615 . . 1 1 1 66 GLY H . . . . . . . . . . 137 . 27396 1 >> 81 2 1 . . 107.725 . . 1 1 1 66 GLY N . . . . . . . . . . 138 . 27396 1 >> 82 1 1 . . 8.792 . . 1 1 1 27 GLY H . . . . . . . . . . 101 . 27396 1 >> 82 2 1 . . 107.294 . . 1 1 1 27 GLY N . . . . . . . . . . 102 . 27396 1 >> 83 1 1 . . 7.685 . . 1 1 1 37 GLY H . . . . . . . . . . 125 . 27396 1 >> 83 2 1 . . 106.760 . . 1 1 1 37 GLY N . . . . . . . . . . 126 . 27396 1 >> 84 1 1 . . 7.978 . . 1 1 1 49 GLY H . . . . . . . . . . 58 . 27396 1 >> 84 2 1 . . 104.888 . . 1 1 1 49 GLY N . . . . . . . . . . 59 . 27396 1 >> 85 1 1 . . 8.129 . . 1 1 1 75 GLY H . . . . . . . . . . 15 . 27396 1 >> 85 2 1 . . 103.310 . . 1 1 1 75 GLY N . . . . . . . . . . 16 . 27396 1 >> 86 1 1 . . 7.038 . . 1 1 1 79 GLY H . . . . . . . . . . 147 . 27396 1 >> 86 2 1 . . 102.341 . . 1 1 1 79 GLY N . . . . . . . . . . 148 . 27396 1 >> 87 1 1 . . 10.439 . . 1 1 1 51 TRP HE1 . . . . . . . . . . 110 . 27396 1 >> 87 2 1 . . 129.300 . . 1 1 1 51 TRP NE1 . . . . . . . . . . 111 . 27396 1 >> 88 1 2 . . 10.298 . . 1 1 1 74 TRP HE1 . . . . . . . . . . 83 . 27396 1 >> 88 2 1 . . 128.870 . . 1 1 1 74 TRP NE1 . . . . . . . . . . 84 . 27396 1 >> 89 1 1 . . 8.94 . . 1 1 1 18 LYS H . . . . . . . . . . 316 . 27396 1 >> 89 2 1 . . 125.825 . . 1 1 1 18 LYS N . . . . . . . . . . 315 . 27396 1 >> >> stop_ >> >>save_ >> ; save_