data_27928 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RTNLB13_APH_22 ; _BMRB_accession_number 27928 _BMRB_flat_file_name bmr27928.str _Entry_type original _Submission_date 2019-05-28 _Accession_date 2019-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1.2 mM 22-aa peptide corresponding to Val154 to Lys175 of RTNLB13 from Arabidopsis thaliana. In the presence of 50 mM Sodium Phosphate buffer pH 7.0. 310 K. TOCSY and NOESY. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brooks Rhiannon L. . 2 Dixon Ann M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27926 'Polypeptide chain (RTNLB13 18-mer)' 27927 'Polypeptide chain (R13-APH22 22-mer)' stop_ _Original_release_date 2019-05-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Revealing the mechanism of protein-lipid interactions for a putative membrane curvature sensor in plant endoplasmic reticulum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31874147 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brooks Rhiannon L. . 2 Dixon Ann M. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Biomembr.' _Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Journal_volume 1862 _Journal_issue 3 _Journal_ISSN 1879-2642 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183160 _Page_last 183160 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label R13-APH22 $RTNLB13_APH_22 stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RTNLB13_APH_22 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RTNLB13_APH_22 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; VPKLWEEYGDQIQKHLGSLK DK ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 PRO 3 LYS 4 LEU 5 TRP 6 GLU 7 GLU 8 TYR 9 GLY 10 ASP 11 GLN 12 ILE 13 GLN 14 LYS 15 HIS 16 LEU 17 GLY 18 SER 19 LEU 20 LYS 21 ASP 22 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $RTNLB13_APH_22 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana RTNLB13 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 $RTNLB13_APH_22 'chemical synthesis' . . . . . 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 _Isotopic_labeling $RTNLB13_APH_22 1.2 mM 'natural abundance' DPC-d38 50 mM 'natural abundance' 'potassium phosphate' 25 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 . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker BioSpin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 pH 7.0 . pH pressure 1 . atm temperature 310 . 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 water H 1 protons ppm 4.72 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name R13-APH22 _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 2 2 PRO HA H 4.636 0.008 1 2 2 2 PRO HB2 H 2.559 0.001 1 3 2 2 PRO HD2 H 3.868 . 1 4 3 3 LYS H H 8.977 0.008 1 5 3 3 LYS HA H 4.239 0.002 1 6 3 3 LYS HB2 H 1.831 0.008 2 7 3 3 LYS HB3 H 1.748 . 2 8 3 3 LYS HG2 H 1.555 0.012 1 9 3 3 LYS HE2 H 3.028 0.002 1 10 4 4 LEU H H 8.821 0.007 1 11 4 4 LEU HA H 4.232 0.003 1 12 4 4 LEU HB2 H 1.819 0.004 1 13 4 4 LEU HG H 1.607 . 1 14 4 4 LEU HD1 H 1.015 0.001 1 15 5 5 TRP H H 7.937 0.009 1 16 5 5 TRP HA H 4.414 0.005 1 17 5 5 TRP HB2 H 3.350 0.001 2 18 5 5 TRP HB3 H 3.257 . 2 19 5 5 TRP HD1 H 7.155 . 1 20 5 5 TRP HE1 H 10.607 . 1 21 6 6 GLU H H 7.743 0.004 1 22 6 6 GLU HA H 3.978 0.006 1 23 6 6 GLU HB2 H 2.033 . 1 24 7 7 GLU H H 8.000 0.011 1 25 7 7 GLU HA H 4.021 0.007 1 26 7 7 GLU HG2 H 2.111 0.003 1 27 8 8 TYR H H 7.797 0.008 1 28 8 8 TYR HA H 4.751 0.007 1 29 8 8 TYR HB2 H 3.192 0.008 2 30 8 8 TYR HB3 H 2.731 0.01 2 31 8 8 TYR HD1 H 7.136 0.01 1 32 8 8 TYR HD2 H 7.136 0.01 1 33 8 8 TYR HE1 H 6.759 . 1 34 8 8 TYR HE2 H 6.759 . 1 35 9 9 GLY H H 8.248 0.004 1 36 9 9 GLY HA2 H 2.925 . 1 37 10 10 ASP H H 8.351 0.007 1 38 10 10 ASP HA H 4.360 0.001 1 39 10 10 ASP HB2 H 2.614 0.014 2 40 10 10 ASP HB3 H 2.651 0.001 2 41 11 11 GLN H H 7.992 0.007 1 42 11 11 GLN HA H 4.128 0.003 1 43 11 11 GLN HB2 H 2.243 0.002 1 44 11 11 GLN HG2 H 2.567 0.02 1 45 12 12 ILE H H 8.298 0.004 1 46 12 12 ILE HA H 3.700 0.001 1 47 12 12 ILE HB H 2.016 0.003 1 48 12 12 ILE HG2 H 1.020 0.002 1 49 12 12 ILE HD1 H 0.873 0.007 1 50 13 13 GLN H H 8.367 0.008 1 51 13 13 GLN HA H 4.005 0.001 1 52 13 13 GLN HB2 H 2.255 0.002 1 53 13 13 GLN HG2 H 2.376 0.007 1 54 14 14 LYS H H 7.995 0.003 1 55 14 14 LYS HA H 4.048 0.023 1 56 14 14 LYS HB2 H 1.889 . 2 57 14 14 LYS HB3 H 1.542 . 2 58 14 14 LYS HG2 H 1.288 . 1 59 14 14 LYS HE2 H 2.913 0.001 1 60 15 15 HIS H H 7.906 0.005 1 61 15 15 HIS HA H 4.543 0.005 1 62 15 15 HIS HB2 H 3.145 0.002 2 63 15 15 HIS HB3 H 3.250 0.002 2 64 15 15 HIS HD1 H 8.440 0.003 1 65 15 15 HIS HE1 H 7.296 0.002 1 66 16 16 LEU H H 8.203 0.004 1 67 16 16 LEU HA H 4.319 0.001 1 68 16 16 LEU HB2 H 1.910 0.007 1 69 16 16 LEU HG H 1.664 0.003 1 70 16 16 LEU HD1 H 0.952 0.007 2 71 16 16 LEU HD2 H 0.923 . 2 72 17 17 GLY H H 8.087 0.01 1 73 17 17 GLY HA2 H 4.017 . 1 74 18 18 SER H H 7.924 0.003 1 75 18 18 SER HA H 4.473 0.004 1 76 18 18 SER HB2 H 3.962 0.001 1 77 19 19 LEU H H 7.875 0.003 1 78 19 19 LEU HA H 4.286 0.002 1 79 19 19 LEU HB2 H 1.818 . 1 80 19 19 LEU HG H 1.622 0.001 1 81 19 19 LEU HD1 H 0.957 0.018 2 82 19 19 LEU HD2 H 0.901 . 2 83 20 20 LYS H H 7.802 0.005 1 84 20 20 LYS HA H 4.346 0.001 1 85 20 20 LYS HB2 H 1.750 . 1 86 20 20 LYS HG2 H 1.486 0.003 1 87 20 20 LYS HE2 H 3.015 . 1 88 21 21 ASP H H 8.184 0.007 1 89 21 21 ASP HA H 4.613 0.002 1 90 21 21 ASP HB2 H 2.674 0.017 2 91 21 21 ASP HB3 H 2.743 0.0 2 92 22 22 LYS H H 7.741 0.004 1 93 22 22 LYS HA H 4.153 0.002 1 94 22 22 LYS HB2 H 1.719 0.024 2 95 22 22 LYS HB3 H 1.837 . 2 96 22 22 LYS HG2 H 1.420 0.0 1 97 22 22 LYS HE2 H 3.016 0.001 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 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 27928 >> _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-1H TOCSY' >> _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 . >> _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 . . 9803.92156863 . . . . . . . 27928 1 >> 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27928 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27928 1 >> 2 1.0 . . 27928 1 >> 3 1.0 . . 27928 1 >> 4 1.0 . . 27928 1 >> 5 1.0 . . 27928 1 >> 6 1.0 . . 27928 1 >> 7 1.0 . . 27928 1 >> 8 1.0 . . 27928 1 >> 9 1.0 . . 27928 1 >> 10 1.0 . . 27928 1 >> 11 1.0 . . 27928 1 >> 12 1.0 . . 27928 1 >> 13 1.0 . . 27928 1 >> 14 1.0 . . 27928 1 >> 15 1.0 . . 27928 1 >> 16 1.0 . . 27928 1 >> 17 1.0 . . 27928 1 >> 18 1.0 . . 27928 1 >> 19 1.0 . . 27928 1 >> 20 1.0 . . 27928 1 >> 21 1.0 . . 27928 1 >> 22 1.0 . . 27928 1 >> 23 1.0 . . 27928 1 >> 24 1.0 . . 27928 1 >> 25 1.0 . . 27928 1 >> 26 1.0 . . 27928 1 >> 27 1.0 . . 27928 1 >> 28 1.0 . . 27928 1 >> 29 1.0 . . 27928 1 >> 30 1.0 . . 27928 1 >> 31 1.0 . . 27928 1 >> 32 1.0 . . 27928 1 >> 33 1.0 . . 27928 1 >> 34 1.0 . . 27928 1 >> 35 1.0 . . 27928 1 >> 36 1.0 . . 27928 1 >> 37 1.0 . . 27928 1 >> 38 1.0 . . 27928 1 >> 39 1.0 . . 27928 1 >> 40 1.0 . . 27928 1 >> 41 1.0 . . 27928 1 >> 42 1.0 . . 27928 1 >> 43 1.0 . . 27928 1 >> 44 1.0 . . 27928 1 >> 45 1.0 . . 27928 1 >> 46 1.0 . . 27928 1 >> 47 1.0 . . 27928 1 >> 48 1.0 . . 27928 1 >> 49 1.0 . . 27928 1 >> 50 1.0 . . 27928 1 >> 51 1.0 . . 27928 1 >> 52 1.0 . . 27928 1 >> 53 1.0 . . 27928 1 >> 54 1.0 . . 27928 1 >> 55 1.0 . . 27928 1 >> 56 1.0 . . 27928 1 >> 57 1.0 . . 27928 1 >> 58 1.0 . . 27928 1 >> 59 1.0 . . 27928 1 >> 60 1.0 . . 27928 1 >> 61 1.0 . . 27928 1 >> 62 1.0 . . 27928 1 >> 63 1.0 . . 27928 1 >> 64 1.0 . . 27928 1 >> 65 1.0 . . 27928 1 >> 66 1.0 . . 27928 1 >> 67 1.0 . . 27928 1 >> 68 1.0 . . 27928 1 >> 69 1.0 . . 27928 1 >> 70 1.0 . . 27928 1 >> 71 1.0 . . 27928 1 >> 72 1.0 . . 27928 1 >> 73 1.0 . . 27928 1 >> 74 1.0 . . 27928 1 >> 75 1.0 . . 27928 1 >> 76 1.0 . . 27928 1 >> 77 1.0 . . 27928 1 >> 78 1.0 . . 27928 1 >> 79 1.0 . . 27928 1 >> 80 1.0 . . 27928 1 >> 81 1.0 . . 27928 1 >> 82 1.0 . . 27928 1 >> 83 1.0 . . 27928 1 >> 84 1.0 . . 27928 1 >> 85 1.0 . . 27928 1 >> 86 1.0 . . 27928 1 >> 87 1.0 . . 27928 1 >> 88 1.0 . . 27928 1 >> 89 1.0 . . 27928 1 >> 90 1.0 . . 27928 1 >> 91 1.0 . . 27928 1 >> 92 1.0 . . 27928 1 >> 93 1.0 . . 27928 1 >> 94 1.0 . . 27928 1 >> 95 1.0 . . 27928 1 >> 96 1.0 . . 27928 1 >> 97 1.0 . . 27928 1 >> 98 1.0 . . 27928 1 >> 99 1.0 . . 27928 1 >> 100 1.0 . . 27928 1 >> 101 1.0 . . 27928 1 >> 102 1.0 . . 27928 1 >> 103 1.0 . . 27928 1 >> 104 1.0 . . 27928 1 >> 105 1.0 . . 27928 1 >> 106 1.0 . . 27928 1 >> 107 1.0 . . 27928 1 >> 108 1.0 . . 27928 1 >> 109 1.0 . . 27928 1 >> 110 1.0 . . 27928 1 >> 111 1.0 . . 27928 1 >> 112 1.0 . . 27928 1 >> 113 1.0 . . 27928 1 >> 114 1.0 . . 27928 1 >> 115 1.0 . . 27928 1 >> 116 1.0 . . 27928 1 >> 117 1.0 . . 27928 1 >> 118 1.0 . . 27928 1 >> 119 1.0 . . 27928 1 >> 120 1.0 . . 27928 1 >> 121 1.0 . . 27928 1 >> 122 1.0 . . 27928 1 >> 123 1.0 . . 27928 1 >> 124 1.0 . . 27928 1 >> 125 1.0 . . 27928 1 >> 126 1.0 . . 27928 1 >> 127 1.0 . . 27928 1 >> 128 1.0 . . 27928 1 >> 129 1.0 . . 27928 1 >> 130 1.0 . . 27928 1 >> 131 1.0 . . 27928 1 >> 132 1.0 . . 27928 1 >> 133 1.0 . . 27928 1 >> 134 1.0 . . 27928 1 >> 135 1.0 . . 27928 1 >> 136 1.0 . . 27928 1 >> 137 1.0 . . 27928 1 >> 138 1.0 . . 27928 1 >> 139 1.0 . . 27928 1 >> 140 1.0 . . 27928 1 >> 141 1.0 . . 27928 1 >> 142 1.0 . . 27928 1 >> 143 1.0 . . 27928 1 >> 144 1.0 . . 27928 1 >> 145 1.0 . . 27928 1 >> 146 1.0 . . 27928 1 >> 147 1.0 . . 27928 1 >> 148 1.0 . . 27928 1 >> 149 1.0 . . 27928 1 >> 150 1.0 . . 27928 1 >> 151 1.0 . . 27928 1 >> 152 1.0 . . 27928 1 >> 153 1.0 . . 27928 1 >> 154 1.0 . . 27928 1 >> 155 1.0 . . 27928 1 >> 156 1.0 . . 27928 1 >> 157 1.0 . . 27928 1 >> 158 1.0 . . 27928 1 >> 159 1.0 . . 27928 1 >> 160 1.0 . . 27928 1 >> 161 1.0 . . 27928 1 >> 162 1.0 . . 27928 1 >> 163 1.0 . . 27928 1 >> 164 1.0 . . 27928 1 >> 165 1.0 . . 27928 1 >> 166 1.0 . . 27928 1 >> 167 1.0 . . 27928 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 2328396.50 . height 27928 1 >> 1 17669155.50 . volume 27928 1 >> 2 23457.25 . height 27928 1 >> 2 177784.25 . volume 27928 1 >> 3 400418.25 . height 27928 1 >> 3 3192593.00 . volume 27928 1 >> 4 671889.25 . height 27928 1 >> 4 5297123.25 . volume 27928 1 >> 5 508535.75 . height 27928 1 >> 5 3932409.75 . volume 27928 1 >> 6 757728.75 . height 27928 1 >> 6 5914733.00 . volume 27928 1 >> 7 234068.75 . height 27928 1 >> 7 1825103.00 . volume 27928 1 >> 8 456431.75 . height 27928 1 >> 8 3551660.50 . volume 27928 1 >> 9 289450.00 . height 27928 1 >> 9 2268188.75 . volume 27928 1 >> 10 214264.75 . height 27928 1 >> 10 1660934.00 . volume 27928 1 >> 11 1355369.25 . height 27928 1 >> 11 10619972.50 . volume 27928 1 >> 12 555800.00 . height 27928 1 >> 12 4568691.00 . volume 27928 1 >> 13 212570.50 . height 27928 1 >> 13 1648306.25 . volume 27928 1 >> 14 125016.00 . height 27928 1 >> 14 1039218.75 . volume 27928 1 >> 15 946935.50 . height 27928 1 >> 15 7475828.25 . volume 27928 1 >> 16 98115.25 . height 27928 1 >> 16 772045.75 . volume 27928 1 >> 17 76882.50 . height 27928 1 >> 17 599893.25 . volume 27928 1 >> 18 160455.00 . height 27928 1 >> 18 1306784.25 . volume 27928 1 >> 19 91992.50 . height 27928 1 >> 19 723908.25 . volume 27928 1 >> 20 104773.50 . height 27928 1 >> 20 831009.00 . volume 27928 1 >> 21 37397.00 . height 27928 1 >> 21 301375.00 . volume 27928 1 >> 22 60815.75 . height 27928 1 >> 22 486076.00 . volume 27928 1 >> 23 34491.75 . height 27928 1 >> 23 275021.25 . volume 27928 1 >> 24 18660.25 . height 27928 1 >> 24 149774.50 . volume 27928 1 >> 25 34143.50 . height 27928 1 >> 25 252783.75 . volume 27928 1 >> 26 13530.00 . height 27928 1 >> 26 100178.50 . volume 27928 1 >> 27 22474.25 . height 27928 1 >> 27 175924.75 . volume 27928 1 >> 28 99546.00 . height 27928 1 >> 28 793870.00 . volume 27928 1 >> 29 21071.50 . height 27928 1 >> 29 170202.50 . volume 27928 1 >> 30 32417.75 . height 27928 1 >> 30 250791.25 . volume 27928 1 >> 31 224640.75 . height 27928 1 >> 31 1805163.00 . volume 27928 1 >> 32 144688.25 . height 27928 1 >> 32 1118492.00 . volume 27928 1 >> 33 251239.25 . height 27928 1 >> 33 1955622.25 . volume 27928 1 >> 34 81543.00 . height 27928 1 >> 34 602893.50 . volume 27928 1 >> 35 76705.75 . height 27928 1 >> 35 612777.50 . volume 27928 1 >> 36 28022.50 . height 27928 1 >> 36 231131.00 . volume 27928 1 >> 37 46387.75 . height 27928 1 >> 37 372573.50 . volume 27928 1 >> 38 175581.75 . height 27928 1 >> 38 1448718.50 . volume 27928 1 >> 39 105262.50 . height 27928 1 >> 39 850684.75 . volume 27928 1 >> 40 54724.25 . height 27928 1 >> 40 470956.50 . volume 27928 1 >> 41 58149.50 . height 27928 1 >> 41 458639.00 . volume 27928 1 >> 42 203439.75 . height 27928 1 >> 42 1594130.00 . volume 27928 1 >> 43 112208.00 . height 27928 1 >> 43 893718.00 . volume 27928 1 >> 44 19737.50 . height 27928 1 >> 44 162655.25 . volume 27928 1 >> 45 207392.50 . height 27928 1 >> 45 1614107.50 . volume 27928 1 >> 46 14216.75 . height 27928 1 >> 46 105399.25 . volume 27928 1 >> 47 14915.00 . height 27928 1 >> 47 114952.00 . volume 27928 1 >> 48 136592.75 . height 27928 1 >> 48 1070607.50 . volume 27928 1 >> 49 55023.75 . height 27928 1 >> 49 422630.00 . volume 27928 1 >> 50 119447.75 . height 27928 1 >> 50 939273.50 . volume 27928 1 >> 51 59828.75 . height 27928 1 >> 51 478988.50 . volume 27928 1 >> 52 1067865.25 . height 27928 1 >> 52 8180291.00 . volume 27928 1 >> 53 910105.50 . height 27928 1 >> 53 7204733.50 . volume 27928 1 >> 54 43714.25 . height 27928 1 >> 54 350073.50 . volume 27928 1 >> 55 20221.50 . height 27928 1 >> 55 167084.50 . volume 27928 1 >> 56 70570.75 . height 27928 1 >> 56 541200.25 . volume 27928 1 >> 57 82819.50 . height 27928 1 >> 57 645973.25 . volume 27928 1 >> 58 2178590.25 . height 27928 1 >> 58 18483775.75 . volume 27928 1 >> 59 58541.75 . height 27928 1 >> 59 460286.25 . volume 27928 1 >> 60 79149.25 . height 27928 1 >> 60 634745.50 . volume 27928 1 >> 61 98259.75 . height 27928 1 >> 61 779564.25 . volume 27928 1 >> 62 94901.25 . height 27928 1 >> 62 768682.50 . volume 27928 1 >> 63 206895.25 . height 27928 1 >> 63 1718887.25 . volume 27928 1 >> 64 107066.25 . height 27928 1 >> 64 895772.75 . volume 27928 1 >> 65 42208.25 . height 27928 1 >> 65 336824.75 . volume 27928 1 >> 66 297416.75 . height 27928 1 >> 66 2324565.75 . volume 27928 1 >> 67 178759.75 . height 27928 1 >> 67 1405827.00 . volume 27928 1 >> 68 221365.00 . height 27928 1 >> 68 1807167.75 . volume 27928 1 >> 69 59673.25 . height 27928 1 >> 69 480742.75 . volume 27928 1 >> 70 62286.75 . height 27928 1 >> 70 511501.75 . volume 27928 1 >> 71 294598.75 . height 27928 1 >> 71 2539619.75 . volume 27928 1 >> 72 270823.50 . height 27928 1 >> 72 2272356.00 . volume 27928 1 >> 73 32840.25 . height 27928 1 >> 73 255938.50 . volume 27928 1 >> 74 784644.00 . height 27928 1 >> 74 6261080.00 . volume 27928 1 >> 75 221547.25 . height 27928 1 >> 75 1756177.00 . volume 27928 1 >> 76 107294.00 . height 27928 1 >> 76 845702.75 . volume 27928 1 >> 77 415148.00 . height 27928 1 >> 77 3484490.25 . volume 27928 1 >> 78 433320.25 . height 27928 1 >> 78 3454877.50 . volume 27928 1 >> 79 232038.50 . height 27928 1 >> 79 1874592.00 . volume 27928 1 >> 80 163264.75 . height 27928 1 >> 80 1327524.25 . volume 27928 1 >> 81 370903.00 . height 27928 1 >> 81 3064785.75 . volume 27928 1 >> 82 245115.25 . height 27928 1 >> 82 1973864.25 . volume 27928 1 >> 83 182952.50 . height 27928 1 >> 83 1482084.50 . volume 27928 1 >> 84 185257.25 . height 27928 1 >> 84 1495903.00 . volume 27928 1 >> 85 212424.75 . height 27928 1 >> 85 1724397.25 . volume 27928 1 >> 86 259955.75 . height 27928 1 >> 86 2203219.75 . volume 27928 1 >> 87 436168.00 . height 27928 1 >> 87 3461712.75 . volume 27928 1 >> 88 2863694.00 . height 27928 1 >> 88 22917714.75 . volume 27928 1 >> 89 694296.50 . height 27928 1 >> 89 5910680.50 . volume 27928 1 >> 90 86553.00 . height 27928 1 >> 90 705742.50 . volume 27928 1 >> 91 45742.00 . height 27928 1 >> 91 362357.75 . volume 27928 1 >> 92 46983.75 . height 27928 1 >> 92 368293.50 . volume 27928 1 >> 93 570996.50 . height 27928 1 >> 93 4589674.00 . volume 27928 1 >> 94 66459.00 . height 27928 1 >> 94 552707.00 . volume 27928 1 >> 95 29988.50 . height 27928 1 >> 95 242389.50 . volume 27928 1 >> 96 33376.75 . height 27928 1 >> 96 268667.50 . volume 27928 1 >> 97 421609.25 . height 27928 1 >> 97 3582165.00 . volume 27928 1 >> 98 54837.00 . height 27928 1 >> 98 446764.75 . volume 27928 1 >> 99 136737.25 . height 27928 1 >> 99 1180460.50 . volume 27928 1 >> 100 46758.50 . height 27928 1 >> 100 350798.50 . volume 27928 1 >> 101 53061.50 . height 27928 1 >> 101 415948.00 . volume 27928 1 >> 102 60923.00 . height 27928 1 >> 102 466010.00 . volume 27928 1 >> 103 20627.00 . height 27928 1 >> 103 163640.25 . volume 27928 1 >> 104 370638.25 . height 27928 1 >> 104 2881509.50 . volume 27928 1 >> 105 183370.75 . height 27928 1 >> 105 1413858.75 . volume 27928 1 >> 106 374199.50 . height 27928 1 >> 106 3060331.25 . volume 27928 1 >> 107 552184.75 . height 27928 1 >> 107 4307456.25 . volume 27928 1 >> 108 781676.50 . height 27928 1 >> 108 6430218.25 . volume 27928 1 >> 109 764119.50 . height 27928 1 >> 109 6002768.00 . volume 27928 1 >> 110 145280.75 . height 27928 1 >> 110 1156250.25 . volume 27928 1 >> 111 248137.00 . height 27928 1 >> 111 1945151.75 . volume 27928 1 >> 112 264881.25 . height 27928 1 >> 112 2124684.50 . volume 27928 1 >> 113 102686.00 . height 27928 1 >> 113 817013.25 . volume 27928 1 >> 114 73265.75 . height 27928 1 >> 114 577930.00 . volume 27928 1 >> 115 207020.75 . height 27928 1 >> 115 1613174.75 . volume 27928 1 >> 116 253582.25 . height 27928 1 >> 116 1958481.25 . volume 27928 1 >> 117 1189246.75 . height 27928 1 >> 117 9278438.75 . volume 27928 1 >> 118 2165784.25 . height 27928 1 >> 118 17510117.75 . volume 27928 1 >> 119 1547421.25 . height 27928 1 >> 119 12194660.50 . volume 27928 1 >> 120 659685.50 . height 27928 1 >> 120 5253725.50 . volume 27928 1 >> 121 873234.75 . height 27928 1 >> 121 7185161.50 . volume 27928 1 >> 122 585790.00 . height 27928 1 >> 122 4700438.50 . volume 27928 1 >> 123 577637.75 . height 27928 1 >> 123 4670361.50 . volume 27928 1 >> 124 508870.75 . height 27928 1 >> 124 4092532.50 . volume 27928 1 >> 125 52868.50 . height 27928 1 >> 125 408320.75 . volume 27928 1 >> 126 114202.50 . height 27928 1 >> 126 877597.50 . volume 27928 1 >> 127 23500.00 . height 27928 1 >> 127 182245.00 . volume 27928 1 >> 128 55625.75 . height 27928 1 >> 128 448744.00 . volume 27928 1 >> 129 22049.00 . height 27928 1 >> 129 167513.75 . volume 27928 1 >> 130 21241.00 . height 27928 1 >> 130 167044.00 . volume 27928 1 >> 131 55069.00 . height 27928 1 >> 131 437767.00 . volume 27928 1 >> 132 1021165.75 . height 27928 1 >> 132 7755461.50 . volume 27928 1 >> 133 722122.00 . height 27928 1 >> 133 5434658.50 . volume 27928 1 >> 134 214818.50 . height 27928 1 >> 134 1801465.50 . volume 27928 1 >> 135 762223.50 . height 27928 1 >> 135 6447559.00 . volume 27928 1 >> 136 73817.00 . height 27928 1 >> 136 595831.00 . volume 27928 1 >> 137 26932.75 . height 27928 1 >> 137 214692.50 . volume 27928 1 >> 138 40972.00 . height 27928 1 >> 138 327504.00 . volume 27928 1 >> 139 778150.00 . height 27928 1 >> 139 6029168.25 . volume 27928 1 >> 140 139996.00 . height 27928 1 >> 140 1138450.75 . volume 27928 1 >> 141 349129.00 . height 27928 1 >> 141 2763609.25 . volume 27928 1 >> 142 193172.00 . height 27928 1 >> 142 1577168.25 . volume 27928 1 >> 143 363617.75 . height 27928 1 >> 143 2998016.25 . volume 27928 1 >> 144 161222.25 . height 27928 1 >> 144 1293026.75 . volume 27928 1 >> 145 118639.00 . height 27928 1 >> 145 955060.50 . volume 27928 1 >> 146 374462.00 . height 27928 1 >> 146 2975585.25 . volume 27928 1 >> 147 385138.50 . height 27928 1 >> 147 3028774.75 . volume 27928 1 >> 148 88067.50 . height 27928 1 >> 148 713919.75 . volume 27928 1 >> 149 622338.25 . height 27928 1 >> 149 4884608.25 . volume 27928 1 >> 150 91863.50 . height 27928 1 >> 150 718474.50 . volume 27928 1 >> 151 790747.50 . height 27928 1 >> 151 6040934.50 . volume 27928 1 >> 152 697842.25 . height 27928 1 >> 152 5526350.00 . volume 27928 1 >> 153 37392.00 . height 27928 1 >> 153 303916.00 . volume 27928 1 >> 154 1788352.00 . height 27928 1 >> 154 13762580.00 . volume 27928 1 >> 155 974054.25 . height 27928 1 >> 155 8071407.00 . volume 27928 1 >> 156 927016.00 . height 27928 1 >> 156 7807127.00 . volume 27928 1 >> 157 2318395.00 . height 27928 1 >> 157 18082106.25 . volume 27928 1 >> 158 1649517.25 . height 27928 1 >> 158 12996292.50 . volume 27928 1 >> 159 1177503.75 . height 27928 1 >> 159 9583525.00 . volume 27928 1 >> 160 1124554.50 . height 27928 1 >> 160 9081976.00 . volume 27928 1 >> 161 1132928.75 . height 27928 1 >> 161 8977139.00 . volume 27928 1 >> 162 20234.75 . height 27928 1 >> 162 162898.75 . volume 27928 1 >> 163 10060.00 . height 27928 1 >> 163 150522.25 . volume 27928 1 >> 164 22956.75 . height 27928 1 >> 164 131561.25 . volume 27928 1 >> 165 24232.25 . height 27928 1 >> 165 165347.00 . volume 27928 1 >> 166 25153.00 . height 27928 1 >> 166 203841.25 . volume 27928 1 >> 167 1212562.75 . height 27928 1 >> 167 9384782.75 . volume 27928 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 7.155 . 11.6740371667 . . . . . . . . . . . 27928 1 >> 1 2 10.607 . 79.3818457454 . . . . . . . . . . . 27928 1 >> 2 1 7.795 . 16.0874104967 . . . . . . . . . . . 27928 1 >> 2 2 4.767 . 71.0320823333 . . . . . . . . . . . 27928 1 >> 3 1 8.188 . 17.8127312193 . . . . . . . . . . . 27928 1 >> 3 2 4.613 . 81.6168738346 . . . . . . . . . . . 27928 1 >> 4 1 7.925 . 16.0657892040 . . . . . . . . . . . 27928 1 >> 4 2 4.467 . 83.0368668425 . . . . . . . . . . . 27928 1 >> 5 1 8.353 . 14.8075176220 . . . . . . . . . . . 27928 1 >> 5 2 4.359 . 77.5473959306 . . . . . . . . . . . 27928 1 >> 6 1 7.805 . 15.6333633498 . . . . . . . . . . . 27928 1 >> 6 2 4.345 . 78.2211621602 . . . . . . . . . . . 27928 1 >> 7 1 8.206 . 15.7478977652 . . . . . . . . . . . 27928 1 >> 7 2 4.319 . 79.1654867284 . . . . . . . . . . . 27928 1 >> 8 1 7.877 . 15.8235722897 . . . . . . . . . . . 27928 1 >> 8 2 4.284 . 76.7813009374 . . . . . . . . . . . 27928 1 >> 9 1 8.977 . 15.6944288927 . . . . . . . . . . . 27928 1 >> 9 2 4.239 . 80.5691176770 . . . . . . . . . . . 27928 1 >> 10 1 8.824 . 14.9972882925 . . . . . . . . . . . 27928 1 >> 10 2 4.229 . 78.4835394691 . . . . . . . . . . . 27928 1 >> 11 1 7.741 . 15.6228448830 . . . . . . . . . . . 27928 1 >> 11 2 4.151 . 78.4864612654 . . . . . . . . . . . 27928 1 >> 12 1 7.996 . 18.3100209517 . . . . . . . . . . . 27928 1 >> 12 2 4.066 . 105.3529627180 . . . . . . . . . . . 27928 1 >> 13 1 8.368 . 15.7097683233 . . . . . . . . . . . 27928 1 >> 13 2 4.003 . 76.7602640040 . . . . . . . . . . . 27928 1 >> 14 1 8.088 . 17.5579505808 . . . . . . . . . . . 27928 1 >> 14 2 4.017 . 127.5445900710 . . . . . . . . . . . 27928 1 >> 15 1 7.925 . 16.4824373582 . . . . . . . . . . . 27928 1 >> 15 2 3.963 . 83.3828075259 . . . . . . . . . . . 27928 1 >> 16 1 8.302 . 16.7087304826 . . . . . . . . . . . 27928 1 >> 16 2 3.698 . 81.7886754578 . . . . . . . . . . . 27928 1 >> 17 1 8.977 . 16.0089602657 . . . . . . . . . . . 27928 1 >> 17 2 3.026 . 78.5232758990 . . . . . . . . . . . 27928 1 >> 18 1 8.977 . 15.5877833273 . . . . . . . . . . . 27928 1 >> 18 2 1.820 . 110.2925515640 . . . . . . . . . . . 27928 1 >> 19 1 8.977 . 14.4811529739 . . . . . . . . . . . 27928 1 >> 19 2 1.538 . 86.4138790205 . . . . . . . . . . . 27928 1 >> 20 1 4.243 . 15.7309513466 . . . . . . . . . . . 27928 1 >> 20 2 8.971 . 94.7477186427 . . . . . . . . . . . 27928 1 >> 21 1 3.031 . 22.7438468559 . . . . . . . . . . . 27928 1 >> 21 2 8.969 . 76.1840857711 . . . . . . . . . . . 27928 1 >> 22 1 1.838 . 21.6575229869 . . . . . . . . . . . 27928 1 >> 22 2 8.973 . 81.2189251769 . . . . . . . . . . . 27928 1 >> 23 1 1.748 . 24.4788095063 . . . . . . . . . . . 27928 1 >> 23 2 8.972 . 76.1084112467 . . . . . . . . . . . 27928 1 >> 24 1 1.550 . 61.8994235992 . . . . . . . . . . . 27928 1 >> 24 2 8.975 . 122.9450983160 . . . . . . . . . . . 27928 1 >> 25 1 8.826 . 14.5981709162 . . . . . . . . . . . 27928 1 >> 25 2 1.819 . 63.5245267083 . . . . . . . . . . . 27928 1 >> 26 1 8.825 . 11.9090956800 . . . . . . . . . . . 27928 1 >> 26 2 1.607 . 65.0584697723 . . . . . . . . . . . 27928 1 >> 27 1 8.821 . 17.0574468725 . . . . . . . . . . . 27928 1 >> 27 2 1.016 . 78.1457798154 . . . . . . . . . . . 27928 1 >> 28 1 4.232 . 18.9934291092 . . . . . . . . . . . 27928 1 >> 28 2 8.817 . 94.6491080172 . . . . . . . . . . . 27928 1 >> 29 1 1.823 . 34.3731805390 . . . . . . . . . . . 27928 1 >> 29 2 8.809 . 197.2247572510 . . . . . . . . . . . 27928 1 >> 30 1 1.013 . 14.9590127608 . . . . . . . . . . . 27928 1 >> 30 2 8.820 . 82.0005056905 . . . . . . . . . . . 27928 1 >> 31 1 8.354 . 16.7015720816 . . . . . . . . . . . 27928 1 >> 31 2 2.634 . 93.3513921850 . . . . . . . . . . . 27928 1 >> 32 1 4.360 . 13.9626802183 . . . . . . . . . . . 27928 1 >> 32 2 8.346 . 80.6969462657 . . . . . . . . . . . 27928 1 >> 33 1 4.006 . 14.9888150832 . . . . . . . . . . . 27928 1 >> 33 2 8.361 . 79.7472163743 . . . . . . . . . . . 27928 1 >> 34 1 2.650 . 25.8578973658 . . . . . . . . . . . 27928 1 >> 34 2 8.359 . 65.1478767395 . . . . . . . . . . . 27928 1 >> 35 1 2.607 . 21.9362623551 . . . . . . . . . . . 27928 1 >> 35 2 8.345 . 81.8135107265 . . . . . . . . . . . 27928 1 >> 36 1 2.385 . 36.1472952600 . . . . . . . . . . . 27928 1 >> 36 2 8.356 . 92.4549850763 . . . . . . . . . . . 27928 1 >> 37 1 2.257 . 28.2403300790 . . . . . . . . . . . 27928 1 >> 37 2 8.366 . 78.9901789497 . . . . . . . . . . . 27928 1 >> 38 1 4.360 . 21.9666490368 . . . . . . . . . . . 27928 1 >> 38 2 2.625 . 96.7412602668 . . . . . . . . . . . 27928 1 >> 39 1 8.368 . 15.8739732761 . . . . . . . . . . . 27928 1 >> 39 2 2.252 . 127.7152229760 . . . . . . . . . . . 27928 1 >> 40 1 8.368 . 16.0085219963 . . . . . . . . . . . 27928 1 >> 40 2 2.376 . 194.4028863720 . . . . . . . . . . . 27928 1 >> 41 1 8.301 . 17.0559859743 . . . . . . . . . . . 27928 1 >> 41 2 2.018 . 81.4105950150 . . . . . . . . . . . 27928 1 >> 42 1 8.301 . 15.8650617973 . . . . . . . . . . . 27928 1 >> 42 2 1.024 . 81.5257137897 . . . . . . . . . . . 27928 1 >> 43 1 3.699 . 19.9319100847 . . . . . . . . . . . 27928 1 >> 43 2 8.294 . 77.7855223300 . . . . . . . . . . . 27928 1 >> 44 1 2.020 . 31.5875399346 . . . . . . . . . . . 27928 1 >> 44 2 8.289 . 104.4586008670 . . . . . . . . . . . 27928 1 >> 45 1 1.019 . 14.8976550383 . . . . . . . . . . . 27928 1 >> 45 2 8.293 . 79.9903098275 . . . . . . . . . . . 27928 1 >> 46 1 0.877 . 12.5514525993 . . . . . . . . . . . 27928 1 >> 46 2 8.293 . 77.9368713790 . . . . . . . . . . . 27928 1 >> 47 1 8.299 . 19.2591664838 . . . . . . . . . . . 27928 1 >> 47 2 0.864 . 226.7828174670 . . . . . . . . . . . 27928 1 >> 48 1 8.206 . 15.2006453159 . . . . . . . . . . . 27928 1 >> 48 2 1.910 . 84.4521849763 . . . . . . . . . . . 27928 1 >> 49 1 8.206 . 13.7198789447 . . . . . . . . . . . 27928 1 >> 49 2 1.661 . 79.4816250895 . . . . . . . . . . . 27928 1 >> 50 1 8.205 . 16.8213657304 . . . . . . . . . . . 27928 1 >> 50 2 0.947 . 82.1299412671 . . . . . . . . . . . 27928 1 >> 51 1 4.320 . 18.5358758066 . . . . . . . . . . . 27928 1 >> 51 2 8.199 . 84.8391768979 . . . . . . . . . . . 27928 1 >> 52 1 2.743 . 13.4577938155 . . . . . . . . . . . 27928 1 >> 52 2 8.183 . 79.4557671921 . . . . . . . . . . . 27928 1 >> 53 1 2.661 . 19.7852359099 . . . . . . . . . . . 27928 1 >> 53 2 8.183 . 80.2231769936 . . . . . . . . . . . 27928 1 >> 54 1 1.919 . 44.3984480465 . . . . . . . . . . . 27928 1 >> 54 2 8.199 . 81.9775695894 . . . . . . . . . . . 27928 1 >> 55 1 1.668 . 24.4314764060 . . . . . . . . . . . 27928 1 >> 55 2 8.197 . 94.3778192296 . . . . . . . . . . . 27928 1 >> 56 1 0.961 . 13.7639980690 . . . . . . . . . . . 27928 1 >> 56 2 8.197 . 75.5922759280 . . . . . . . . . . . 27928 1 >> 57 1 0.923 . 13.7400393393 . . . . . . . . . . . 27928 1 >> 57 2 8.197 . 82.9664515514 . . . . . . . . . . . 27928 1 >> 58 1 8.188 . 14.4970767638 . . . . . . . . . . . 27928 1 >> 58 2 2.698 . 140.3151773940 . . . . . . . . . . . 27928 1 >> 59 1 7.992 . 17.0872491949 . . . . . . . . . . . 27928 1 >> 59 2 2.914 . 77.6192721199 . . . . . . . . . . . 27928 1 >> 60 1 7.996 . 16.9879081202 . . . . . . . . . . . 27928 1 >> 60 2 2.548 . 91.7806344874 . . . . . . . . . . . 27928 1 >> 61 1 7.996 . 16.2618417366 . . . . . . . . . . . 27928 1 >> 61 2 2.245 . 173.0726045720 . . . . . . . . . . . 27928 1 >> 62 1 8.003 . 19.1219881469 . . . . . . . . . . . 27928 1 >> 62 2 2.115 . 170.0830225850 . . . . . . . . . . . 27928 1 >> 63 1 8.000 . 19.4875048656 . . . . . . . . . . . 27928 1 >> 63 2 1.889 . 110.3404690240 . . . . . . . . . . . 27928 1 >> 64 1 7.998 . 21.0445301206 . . . . . . . . . . . 27928 1 >> 64 2 1.542 . 119.3360955110 . . . . . . . . . . . 27928 1 >> 65 1 7.993 . 17.0688418781 . . . . . . . . . . . 27928 1 >> 65 2 1.288 . 87.3599566665 . . . . . . . . . . . 27928 1 >> 66 1 4.062 . 17.8673688103 . . . . . . . . . . . 27928 1 >> 66 2 7.988 . 81.6533962886 . . . . . . . . . . . 27928 1 >> 67 1 4.130 . 16.6980659260 . . . . . . . . . . . 27928 1 >> 67 2 7.991 . 81.5321417416 . . . . . . . . . . . 27928 1 >> 68 1 4.026 . 45.0260498944 . . . . . . . . . . . 27928 1 >> 68 2 8.010 . 92.0506084667 . . . . . . . . . . . 27928 1 >> 69 1 2.912 . 21.4529972450 . . . . . . . . . . . 27928 1 >> 69 2 7.990 . 82.9398632050 . . . . . . . . . . . 27928 1 >> 70 1 2.110 . 42.2468372420 . . . . . . . . . . . 27928 1 >> 70 2 7.979 . 95.1865724489 . . . . . . . . . . . 27928 1 >> 71 1 7.988 . 20.6287585053 . . . . . . . . . . . 27928 1 >> 71 2 4.130 . 113.3943305300 . . . . . . . . . . . 27928 1 >> 72 1 8.012 . 25.9008477716 . . . . . . . . . . . 27928 1 >> 72 2 4.025 . 97.8714110805 . . . . . . . . . . . 27928 1 >> 90 1 7.904 . 17.0323194242 . . . . . . . . . . . 27928 1 >> 90 2 3.145 . 158.3964216940 . . . . . . . . . . . 27928 1 >> 91 1 3.143 . 32.4225893208 . . . . . . . . . . . 27928 1 >> 91 2 7.896 . 74.8809646158 . . . . . . . . . . . 27928 1 >> 92 1 4.477 . 16.3381006203 . . . . . . . . . . . 27928 1 >> 92 2 7.919 . 78.9983599794 . . . . . . . . . . . 27928 1 >> 93 1 3.961 . 25.0976459653 . . . . . . . . . . . 27928 1 >> 93 2 7.929 . 81.9873576071 . . . . . . . . . . . 27928 1 >> 94 1 7.932 . 17.5290247973 . . . . . . . . . . . 27928 1 >> 94 2 3.348 . 160.7215872000 . . . . . . . . . . . 27928 1 >> 95 1 3.351 . 28.1959187751 . . . . . . . . . . . 27928 1 >> 95 2 7.932 . 80.6108993642 . . . . . . . . . . . 27928 1 >> 96 1 3.350 . 30.2616287680 . . . . . . . . . . . 27928 1 >> 96 2 4.416 . 76.2436904159 . . . . . . . . . . . 27928 1 >> 97 1 7.929 . 16.7649750616 . . . . . . . . . . . 27928 1 >> 97 2 4.416 . 104.5015512730 . . . . . . . . . . . 27928 1 >> 99 1 7.907 . 27.8061511470 . . . . . . . . . . . 27928 1 >> 99 2 4.550 . 126.2736086750 . . . . . . . . . . . 27928 1 >> 100 1 7.799 . 18.4160821578 . . . . . . . . . . . 27928 1 >> 100 2 3.194 . 71.6424455830 . . . . . . . . . . . 27928 1 >> 101 1 7.794 . 17.1094548468 . . . . . . . . . . . 27928 1 >> 101 2 2.741 . 79.5026620229 . . . . . . . . . . . 27928 1 >> 102 1 3.206 . 13.0481579724 . . . . . . . . . . . 27928 1 >> 102 2 7.782 . 82.7327078464 . . . . . . . . . . . 27928 1 >> 103 1 2.721 . 47.2536274031 . . . . . . . . . . . 27928 1 >> 103 2 7.791 . 70.9786134608 . . . . . . . . . . . 27928 1 >> 104 1 7.877 . 15.4948702046 . . . . . . . . . . . 27928 1 >> 104 2 1.818 . 77.0758180057 . . . . . . . . . . . 27928 1 >> 105 1 7.877 . 15.9530078664 . . . . . . . . . . . 27928 1 >> 105 2 1.623 . 74.2054453083 . . . . . . . . . . . 27928 1 >> 106 1 7.877 . 15.6637500314 . . . . . . . . . . . 27928 1 >> 106 2 0.939 . 105.5066492040 . . . . . . . . . . . 27928 1 >> 107 1 7.805 . 15.3975743873 . . . . . . . . . . . 27928 1 >> 107 2 3.015 . 78.5624279695 . . . . . . . . . . . 27928 1 >> 108 1 7.805 . 15.2573281643 . . . . . . . . . . . 27928 1 >> 108 2 1.750 . 180.7055052590 . . . . . . . . . . . 27928 1 >> 109 1 7.805 . 15.5451251011 . . . . . . . . . . . 27928 1 >> 109 2 1.490 . 80.9080460492 . . . . . . . . . . . 27928 1 >> 110 1 4.347 . 21.2835330589 . . . . . . . . . . . 27928 1 >> 110 2 7.799 . 78.3321904201 . . . . . . . . . . . 27928 1 >> 111 1 1.889 . 24.4758877100 . . . . . . . . . . . 27928 1 >> 111 2 7.804 . 73.8291179433 . . . . . . . . . . . 27928 1 >> 112 1 1.487 . 28.0130143259 . . . . . . . . . . . 27928 1 >> 112 2 7.799 . 79.9143431233 . . . . . . . . . . . 27928 1 >> 113 1 4.288 . 23.6396696053 . . . . . . . . . . . 27928 1 >> 113 2 7.871 . 75.4527601541 . . . . . . . . . . . 27928 1 >> 114 1 1.621 . 28.0959933412 . . . . . . . . . . . 27928 1 >> 114 2 7.870 . 80.5951216642 . . . . . . . . . . . 27928 1 >> 115 1 0.976 . 14.6656644111 . . . . . . . . . . . 27928 1 >> 115 2 7.873 . 79.0909809225 . . . . . . . . . . . 27928 1 >> 116 1 0.901 . 13.7745165357 . . . . . . . . . . . 27928 1 >> 116 2 7.873 . 78.1595122580 . . . . . . . . . . . 27928 1 >> 117 1 7.741 . 15.1200037377 . . . . . . . . . . . 27928 1 >> 117 2 3.016 . 78.4549058652 . . . . . . . . . . . 27928 1 >> 118 1 7.741 . 15.3143031924 . . . . . . . . . . . 27928 1 >> 118 2 1.719 . 148.8105923520 . . . . . . . . . . . 27928 1 >> 119 1 7.741 . 15.3861793817 . . . . . . . . . . . 27928 1 >> 119 2 1.420 . 82.1106574115 . . . . . . . . . . . 27928 1 >> 120 1 4.154 . 21.0889414245 . . . . . . . . . . . 27928 1 >> 120 2 7.736 . 78.3786469815 . . . . . . . . . . . 27928 1 >> 121 1 3.015 . 22.5001690434 . . . . . . . . . . . 27928 1 >> 121 2 7.752 . 91.0326546314 . . . . . . . . . . . 27928 1 >> 122 1 1.749 . 26.9687643238 . . . . . . . . . . . 27928 1 >> 122 2 7.736 . 80.0136841980 . . . . . . . . . . . 27928 1 >> 123 1 1.690 . 27.1347223544 . . . . . . . . . . . 27928 1 >> 123 2 7.740 . 82.8077980116 . . . . . . . . . . . 27928 1 >> 124 1 1.421 . 28.7165828780 . . . . . . . . . . . 27928 1 >> 124 2 7.735 . 79.3656297759 . . . . . . . . . . . 27928 1 >> 128 1 8.250 . 16.1467229619 . . . . . . . . . . . 27928 1 >> 128 2 2.925 . 94.3185067644 . . . . . . . . . . . 27928 1 >> 130 1 3.868 . 19.0693958133 . . . . . . . . . . . 27928 1 >> 130 2 4.631 . 77.7016667759 . . . . . . . . . . . 27928 1 >> 131 1 2.559 . 23.9078905068 . . . . . . . . . . . 27928 1 >> 131 2 4.627 . 79.9210632549 . . . . . . . . . . . 27928 1 >> 132 1 8.443 . 12.2605877764 . . . . . . . . . . . 27928 1 >> 132 2 7.293 . 77.8278883766 . . . . . . . . . . . 27928 1 >> 133 1 7.298 . 11.6711153704 . . . . . . . . . . . 27928 1 >> 133 2 8.437 . 76.6929165990 . . . . . . . . . . . 27928 1 >> 134 1 7.949 . 17.3911160114 . . . . . . . . . . . 27928 1 >> 134 2 2.208 . 143.4607833040 . . . . . . . . . . . 27928 1 >> 135 1 3.963 . 18.1800010158 . . . . . . . . . . . 27928 1 >> 135 2 2.208 . 151.1725724910 . . . . . . . . . . . 27928 1 >> 136 1 3.252 . 24.4349825616 . . . . . . . . . . . 27928 1 >> 136 2 7.910 . 83.8096819672 . . . . . . . . . . . 27928 1 >> 137 1 2.587 . 25.6527872647 . . . . . . . . . . . 27928 1 >> 137 2 7.991 . 77.8273040173 . . . . . . . . . . . 27928 1 >> 139 1 1.014 . 14.6078128441 . . . . . . . . . . . 27928 1 >> 139 2 4.229 . 77.4948035969 . . . . . . . . . . . 27928 1 >> 140 1 1.565 . 66.8968640122 . . . . . . . . . . . 27928 1 >> 140 2 4.237 . 81.7670541651 . . . . . . . . . . . 27928 1 >> 141 1 4.230 . 18.6638504851 . . . . . . . . . . . 27928 1 >> 141 2 1.016 . 79.5266207527 . . . . . . . . . . . 27928 1 >> 142 1 4.237 . 23.2808730182 . . . . . . . . . . . 27928 1 >> 142 2 1.550 . 89.4706623227 . . . . . . . . . . . 27928 1 >> 143 1 4.235 . 21.7837445876 . . . . . . . . . . . 27928 1 >> 143 2 1.814 . 101.9011525550 . . . . . . . . . . . 27928 1 >> 144 1 4.241 . 22.5714608735 . . . . . . . . . . . 27928 1 >> 144 2 3.027 . 80.9787535200 . . . . . . . . . . . 27928 1 >> 145 1 2.367 . 33.7759653727 . . . . . . . . . . . 27928 1 >> 145 2 4.006 . 79.5418140935 . . . . . . . . . . . 27928 1 >> 146 1 2.652 . 21.5459103678 . . . . . . . . . . . 27928 1 >> 146 2 4.359 . 79.9473594217 . . . . . . . . . . . 27928 1 >> 147 1 2.607 . 20.1434481378 . . . . . . . . . . . 27928 1 >> 147 2 4.359 . 79.1158161911 . . . . . . . . . . . 27928 1 >> 148 1 2.012 . 28.5313409917 . . . . . . . . . . . 27928 1 >> 148 2 3.701 . 83.2145120583 . . . . . . . . . . . 27928 1 >> 149 1 1.019 . 15.5679151124 . . . . . . . . . . . 27928 1 >> 149 2 3.699 . 81.1639954062 . . . . . . . . . . . 27928 1 >> 150 1 0.879 . 15.9325552922 . . . . . . . . . . . 27928 1 >> 150 2 3.700 . 79.9011950399 . . . . . . . . . . . 27928 1 >> 151 1 2.742 . 13.3274816999 . . . . . . . . . . . 27928 1 >> 151 2 4.612 . 77.4778571783 . . . . . . . . . . . 27928 1 >> 152 1 2.662 . 20.4145908356 . . . . . . . . . . . 27928 1 >> 152 2 4.611 . 78.8890847973 . . . . . . . . . . . 27928 1 >> 153 1 3.257 . 24.5033525953 . . . . . . . . . . . 27928 1 >> 153 2 4.407 . 172.7389354330 . . . . . . . . . . . 27928 1 >> 154 1 6.895 . 13.8431787491 . . . . . . . . . . . 27928 1 >> 154 2 7.149 . 78.8075666802 . . . . . . . . . . . 27928 1 >> 155 1 7.064 . 23.8596808677 . . . . . . . . . . . 27928 1 >> 155 2 7.409 . 116.4110852220 . . . . . . . . . . . 27928 1 >> 156 1 6.975 . 23.8874379326 . . . . . . . . . . . 27928 1 >> 156 2 7.450 . 120.7379733810 . . . . . . . . . . . 27928 1 >> 157 1 7.394 . 13.8861291549 . . . . . . . . . . . 27928 1 >> 157 2 7.472 . 87.2737636753 . . . . . . . . . . . 27928 1 >> 158 1 6.759 . 23.3837202484 . . . . . . . . . . . 27928 1 >> 158 2 7.128 . 83.6218104643 . . . . . . . . . . . 27928 1 >> 159 1 7.388 . 22.6129503811 . . . . . . . . . . . 27928 1 >> 159 2 7.053 . 95.0109724905 . . . . . . . . . . . 27928 1 >> 163 1 8.204 . 27.7144067428 . . . . . . . . . . . 27928 1 >> 163 2 4.537 . 147.1612383340 . . . . . . . . . . . 27928 1 >> 164 1 7.740 . 16.2562903236 . . . . . . . . . . . 27928 1 >> 164 2 3.972 . 41.2487516216 . . . . . . . . . . . 27928 1 >> 165 1 7.741 . 14.9096344032 . . . . . . . . . . . 27928 1 >> 165 2 2.033 . 53.5734728271 . . . . . . . . . . . 27928 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 3 . . 7.155 . . 1 1 1 5 TRP HD1 . . . . . . . . . . 100 . 27928 1 >> 1 2 2 . . 10.607 . . 1 1 1 5 TRP HE1 . . . . . . . . . . 99 . 27928 1 >> 2 1 1 . . 7.795 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 >> 2 2 1 . . 4.767 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 1 >> 3 1 2 . . 8.188 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 >> 3 2 1 . . 4.613 . . 1 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 >> 4 1 1 . . 7.925 . . 1 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 >> 4 2 1 . . 4.467 . . 1 1 1 18 SER HA . . . . . . . . . . 43 . 27928 1 >> 5 1 1 . . 8.353 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 >> 5 2 1 . . 4.359 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 >> 6 1 1 . . 7.805 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 6 2 1 . . 4.345 . . 1 1 1 20 LYS HA . . . . . . . . . . 60 . 27928 1 >> 7 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 7 2 1 . . 4.319 . . 1 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 1 >> 8 1 1 . . 7.877 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 8 2 1 . . 4.284 . . 1 1 1 19 LEU HA . . . . . . . . . . 55 . 27928 1 >> 9 1 2 . . 8.977 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 9 2 2 . . 4.239 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 >> 10 1 1 . . 8.824 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 10 2 1 . . 4.229 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 >> 11 1 1 . . 7.741 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 11 2 1 . . 4.151 . . 1 1 1 22 LYS HA . . . . . . . . . . 67 . 27928 1 >> 12 1 1 . . 7.996 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 12 2 1 . . 4.066 . . 1 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 1 >> 13 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 13 2 1 . . 4.003 . . 1 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 >> 14 1 1 . . 8.088 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 1 >> 14 2 1 . . 4.017 . . 1 1 1 17 GLY HA2 . . . . . . . . . . 28 . 27928 1 >> 15 1 1 . . 7.925 . . 1 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 >> 15 2 1 . . 3.963 . . 1 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 1 >> 16 1 1 . . 8.302 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 16 2 1 . . 3.698 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 >> 17 1 3 . . 8.977 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 17 2 2 . . 3.026 . . 1 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 >> 18 1 3 . . 8.977 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 18 2 2 . . 1.820 . . 1 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 1 >> 19 1 2 . . 8.977 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 19 2 2 . . 1.538 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 >> 20 1 2 . . 4.243 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 >> 20 2 2 . . 8.971 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 21 1 2 . . 3.031 . . 1 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 >> 21 2 2 . . 8.969 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 22 1 2 . . 1.838 . . 1 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 1 >> 22 2 2 . . 8.973 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 23 1 2 . . 1.748 . . 1 1 1 3 LYS HB3 . . . . . . . . . . 79 . 27928 1 >> 23 2 2 . . 8.972 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 24 1 2 . . 1.550 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 >> 24 2 2 . . 8.975 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 >> 25 1 1 . . 8.826 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 25 2 1 . . 1.819 . . 1 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 >> 26 1 1 . . 8.825 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 26 2 1 . . 1.607 . . 1 1 1 4 LEU HG . . . . . . . . . . 4 . 27928 1 >> 27 1 1 . . 8.821 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 27 2 1 . . 1.016 . . 1 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 >> 28 1 1 . . 4.232 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 >> 28 2 1 . . 8.817 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 29 1 1 . . 1.823 . . 1 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 >> 29 2 1 . . 8.809 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 30 1 1 . . 1.013 . . 1 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 >> 30 2 1 . . 8.820 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 >> 31 1 1 . . 8.354 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 >> 31 2 1 . . 2.634 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 >> 32 1 1 . . 4.360 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 >> 32 2 1 . . 8.346 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 >> 33 1 1 . . 4.006 . . 1 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 >> 33 2 1 . . 8.361 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 34 1 1 . . 2.650 . . 1 1 1 10 ASP HB3 . . . . . . . . . . 94 . 27928 1 >> 34 2 1 . . 8.359 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 >> 35 1 1 . . 2.607 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 >> 35 2 1 . . 8.345 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 >> 36 1 1 . . 2.385 . . 1 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 >> 36 2 2 . . 8.356 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 37 1 1 . . 2.257 . . 1 1 1 13 GLN HB2 . . . . . . . . . . 11 . 27928 1 >> 37 2 1 . . 8.366 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 38 1 1 . . 4.360 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 >> 38 2 1 . . 2.625 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 >> 39 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 39 2 1 . . 2.252 . . 1 1 1 13 GLN HB2 . . . . . . . . . . 11 . 27928 1 >> 40 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 >> 40 2 1 . . 2.376 . . 1 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 >> 41 1 1 . . 8.301 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 41 2 1 . . 2.018 . . 1 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 >> 42 1 1 . . 8.301 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 42 2 1 . . 1.024 . . 1 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 >> 43 1 1 . . 3.699 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 >> 43 2 1 . . 8.294 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 44 1 1 . . 2.020 . . 1 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 >> 44 2 1 . . 8.289 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 45 1 2 . . 1.019 . . 1 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 >> 45 2 1 . . 8.293 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 46 1 1 . . 0.877 . . 1 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 >> 46 2 1 . . 8.293 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 47 1 1 . . 8.299 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 >> 47 2 1 . . 0.864 . . 1 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 >> 48 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 48 2 1 . . 1.910 . . 1 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 1 >> 49 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 49 2 1 . . 1.661 . . 1 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 1 >> 50 1 1 . . 8.205 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 50 2 1 . . 0.947 . . 1 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 1 >> 51 1 1 . . 4.320 . . 1 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 1 >> 51 2 1 . . 8.199 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 52 1 3 . . 2.743 . . 1 1 1 21 ASP HB3 . . . . . . . . . . 97 . 27928 1 >> 52 2 2 . . 8.183 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 >> 53 1 2 . . 2.661 . . 1 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 >> 53 2 3 . . 8.183 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 >> 54 1 1 . . 1.919 . . 1 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 1 >> 54 2 1 . . 8.199 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 55 1 1 . . 1.668 . . 1 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 1 >> 55 2 1 . . 8.197 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 56 1 1 . . 0.961 . . 1 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 1 >> 56 2 1 . . 8.197 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 57 1 2 . . 0.923 . . 1 1 1 16 LEU MD2 . . . . . . . . . . 95 . 27928 1 >> 57 2 1 . . 8.197 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 58 1 1 . . 8.188 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 >> 58 2 1 . . 2.698 . . 1 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 >> 59 1 1 . . 7.992 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 59 2 1 . . 2.914 . . 1 1 1 14 LYS HE2 . . . . . . . . . . 31 . 27928 1 >> 60 1 2 . . 7.996 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 >> 60 2 2 . . 2.548 . . 1 1 1 11 GLN HG2 . . . . . . . . . . 83 . 27928 1 >> 61 1 2 . . 7.996 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 >> 61 2 1 . . 2.245 . . 1 1 1 11 GLN HB2 . . . . . . . . . . 33 . 27928 1 >> 62 1 2 . . 8.003 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 >> 62 2 2 . . 2.115 . . 1 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 1 >> 63 1 1 . . 8.000 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 63 2 1 . . 1.889 . . 1 1 1 14 LYS HB2 . . . . . . . . . . 35 . 27928 1 >> 64 1 1 . . 7.998 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 64 2 1 . . 1.542 . . 1 1 1 14 LYS HB3 . . . . . . . . . . 36 . 27928 1 >> 65 1 1 . . 7.993 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 65 2 1 . . 1.288 . . 1 1 1 14 LYS HG2 . . . . . . . . . . 80 . 27928 1 >> 66 1 1 . . 4.062 . . 1 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 1 >> 66 2 1 . . 7.988 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 67 1 1 . . 4.130 . . 1 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 1 >> 67 2 2 . . 7.991 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 >> 68 1 1 . . 4.026 . . 1 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 1 >> 68 2 1 . . 8.010 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 >> 69 1 1 . . 2.912 . . 1 1 1 14 LYS HE2 . . . . . . . . . . 31 . 27928 1 >> 69 2 1 . . 7.990 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 >> 70 1 1 . . 2.110 . . 1 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 1 >> 70 2 1 . . 7.979 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 >> 71 1 1 . . 7.988 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 >> 71 2 1 . . 4.130 . . 1 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 1 >> 72 1 1 . . 8.012 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 >> 72 2 1 . . 4.025 . . 1 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 1 >> 90 1 1 . . 7.904 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 >> 90 2 1 . . 3.145 . . 1 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 1 >> 91 1 1 . . 3.143 . . 1 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 1 >> 91 2 1 . . 7.896 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 >> 92 1 1 . . 4.477 . . 1 1 1 18 SER HA . . . . . . . . . . 43 . 27928 1 >> 92 2 1 . . 7.919 . . 1 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 >> 93 1 1 . . 3.961 . . 1 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 1 >> 93 2 1 . . 7.929 . . 1 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 >> 94 1 1 . . 7.932 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 >> 94 2 1 . . 3.348 . . 1 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 >> 95 1 1 . . 3.351 . . 1 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 >> 95 2 1 . . 7.932 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 >> 96 1 1 . . 3.350 . . 1 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 >> 96 2 1 . . 4.416 . . 1 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 >> 97 1 1 . . 7.929 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 >> 97 2 1 . . 4.416 . . 1 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 >> 99 1 1 . . 7.907 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 >> 99 2 1 . . 4.550 . . 1 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 1 >> 100 1 2 . . 7.799 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 >> 100 2 1 . . 3.194 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 1 >> 101 1 1 . . 7.794 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 >> 101 2 1 . . 2.741 . . 1 1 1 8 TYR HB3 . . . . . . . . . . 53 . 27928 1 >> 102 1 1 . . 3.206 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 1 >> 102 2 1 . . 7.782 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 >> 103 1 1 . . 2.721 . . 1 1 1 8 TYR HB3 . . . . . . . . . . 53 . 27928 1 >> 103 2 1 . . 7.791 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 >> 104 1 1 . . 7.877 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 104 2 1 . . 1.818 . . 1 1 1 19 LEU HB2 . . . . . . . . . . 56 . 27928 1 >> 105 1 1 . . 7.877 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 105 2 1 . . 1.623 . . 1 1 1 19 LEU HG . . . . . . . . . . 57 . 27928 1 >> 106 1 1 . . 7.877 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 106 2 1 . . 0.939 . . 1 1 1 19 LEU MD1 . . . . . . . . . . 58 . 27928 1 >> 107 1 1 . . 7.805 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 107 2 1 . . 3.015 . . 1 1 1 20 LYS HE2 . . . . . . . . . . 63 . 27928 1 >> 108 1 1 . . 7.805 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 108 2 1 . . 1.750 . . 1 1 1 20 LYS HB2 . . . . . . . . . . 61 . 27928 1 >> 109 1 1 . . 7.805 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 109 2 1 . . 1.490 . . 1 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 1 >> 110 1 1 . . 4.347 . . 1 1 1 20 LYS HA . . . . . . . . . . 60 . 27928 1 >> 110 2 1 . . 7.799 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 111 1 1 . . 1.889 . . 1 . . . . . . . . . . . . . . . 64 . 27928 1 >> 111 2 1 . . 7.804 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 112 1 1 . . 1.487 . . 1 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 1 >> 112 2 1 . . 7.799 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 >> 113 1 1 . . 4.288 . . 1 1 1 19 LEU HA . . . . . . . . . . 55 . 27928 1 >> 113 2 1 . . 7.871 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 114 1 1 . . 1.621 . . 1 1 1 19 LEU HG . . . . . . . . . . 57 . 27928 1 >> 114 2 1 . . 7.870 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 115 1 1 . . 0.976 . . 1 1 1 19 LEU MD1 . . . . . . . . . . 58 . 27928 1 >> 115 2 1 . . 7.873 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 116 1 1 . . 0.901 . . 1 1 1 19 LEU MD2 . . . . . . . . . . 65 . 27928 1 >> 116 2 1 . . 7.873 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 >> 117 1 1 . . 7.741 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 117 2 1 . . 3.016 . . 1 1 1 22 LYS HE2 . . . . . . . . . . 70 . 27928 1 >> 118 1 1 . . 7.741 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 118 2 1 . . 1.719 . . 1 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 >> 119 1 1 . . 7.741 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 119 2 1 . . 1.420 . . 1 1 1 22 LYS HG2 . . . . . . . . . . 69 . 27928 1 >> 120 1 1 . . 4.154 . . 1 1 1 22 LYS HA . . . . . . . . . . 67 . 27928 1 >> 120 2 1 . . 7.736 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 121 1 1 . . 3.015 . . 1 1 1 22 LYS HE2 . . . . . . . . . . 70 . 27928 1 >> 121 2 1 . . 7.752 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 122 1 1 . . 1.749 . . 1 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 >> 122 2 1 . . 7.736 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 123 1 1 . . 1.690 . . 1 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 >> 123 2 1 . . 7.740 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 124 1 1 . . 1.421 . . 1 1 1 22 LYS HG2 . . . . . . . . . . 69 . 27928 1 >> 124 2 1 . . 7.735 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 >> 128 1 1 . . 8.250 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 1 >> 128 2 1 . . 2.925 . . 1 1 1 9 GLY HA2 . . . . . . . . . . 109 . 27928 1 >> 130 1 1 . . 3.868 . . 1 1 1 2 PRO HD2 . . . . . . . . . . 84 . 27928 1 >> 130 2 1 . . 4.631 . . 1 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 1 >> 131 1 1 . . 2.559 . . 1 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 1 >> 131 2 1 . . 4.627 . . 1 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 1 >> 132 1 1 . . 8.443 . . 1 1 1 15 HIS HD1 . . . . . . . . . . 85 . 27928 1 >> 132 2 1 . . 7.293 . . 1 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 1 >> 133 1 1 . . 7.298 . . 1 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 1 >> 133 2 1 . . 8.437 . . 1 1 1 15 HIS HD1 . . . . . . . . . . 85 . 27928 1 >> 134 1 1 . . 7.949 . . 1 . . . . . . . . . . . . . . . 88 . 27928 1 >> 134 2 1 . . 2.208 . . 1 . . . . . . . . . . . . . . . 89 . 27928 1 >> 135 1 1 . . 3.963 . . 1 . . . . . . . . . . . . . . . 90 . 27928 1 >> 135 2 1 . . 2.208 . . 1 . . . . . . . . . . . . . . . 89 . 27928 1 >> 136 1 1 . . 3.252 . . 1 1 1 15 HIS HB3 . . . . . . . . . . 92 . 27928 1 >> 136 2 1 . . 7.910 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 >> 137 1 1 . . 2.587 . . 1 1 1 11 GLN HG2 . . . . . . . . . . 83 . 27928 1 >> 137 2 1 . . 7.991 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 >> 139 1 1 . . 1.014 . . 1 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 >> 139 2 1 . . 4.229 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 >> 140 1 1 . . 1.565 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 >> 140 2 1 . . 4.237 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 >> 141 1 1 . . 4.230 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 >> 141 2 1 . . 1.016 . . 1 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 >> 142 1 1 . . 4.237 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 >> 142 2 1 . . 1.550 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 >> 143 1 1 . . 4.235 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 >> 143 2 1 . . 1.814 . . 1 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 >> 144 1 1 . . 4.241 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 >> 144 2 1 . . 3.027 . . 1 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 >> 145 1 1 . . 2.367 . . 1 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 >> 145 2 1 . . 4.006 . . 1 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 >> 146 1 1 . . 2.652 . . 1 1 1 10 ASP HB3 . . . . . . . . . . 94 . 27928 1 >> 146 2 1 . . 4.359 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 >> 147 1 1 . . 2.607 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 >> 147 2 1 . . 4.359 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 >> 148 1 1 . . 2.012 . . 1 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 >> 148 2 1 . . 3.701 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 >> 149 1 1 . . 1.019 . . 1 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 >> 149 2 1 . . 3.699 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 >> 150 1 1 . . 0.879 . . 1 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 >> 150 2 1 . . 3.700 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 >> 151 1 1 . . 2.742 . . 1 1 1 21 ASP HB3 . . . . . . . . . . 97 . 27928 1 >> 151 2 1 . . 4.612 . . 1 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 >> 152 1 1 . . 2.662 . . 1 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 >> 152 2 1 . . 4.611 . . 1 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 >> 153 1 1 . . 3.257 . . 1 1 1 5 TRP HB3 . . . . . . . . . . 98 . 27928 1 >> 153 2 1 . . 4.407 . . 1 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 >> 154 1 1 . . 6.895 . . 1 . . . . . . . . . . . . . . . 101 . 27928 1 >> 154 2 2 . . 7.149 . . 1 . . . . . . . . . . . . . . . 113 . 27928 1 >> 155 1 1 . . 7.064 . . 1 . . . . . . . . . . . . . . . 103 . 27928 1 >> 155 2 1 . . 7.409 . . 1 . . . . . . . . . . . . . . . 104 . 27928 1 >> 156 1 1 . . 6.975 . . 1 . . . . . . . . . . . . . . . 105 . 27928 1 >> 156 2 1 . . 7.450 . . 1 . . . . . . . . . . . . . . . 104 . 27928 1 >> 157 1 1 . . 7.394 . . 1 . . . . . . . . . . . . . . . 106 . 27928 1 >> 157 2 1 . . 7.472 . . 1 . . . . . . . . . . . . . . . 107 . 27928 1 >> 158 1 1 . . 6.759 . . 1 1 1 8 TYR QE . . . . . . . . . . 102 . 27928 1 >> 158 2 1 . . 7.128 . . 1 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 1 >> 159 1 1 . . 7.388 . . 1 . . . . . . . . . . . . . . . 104 . 27928 1 >> 159 2 1 . . 7.053 . . 1 . . . . . . . . . . . . . . . 103 . 27928 1 >> 163 1 1 . . 8.204 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 >> 163 2 1 . . 4.537 . . 1 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 1 >> 164 1 1 . . 7.740 . . 1 1 1 6 GLU H . . . . . . . . . . 110 . 27928 1 >> 164 2 1 . . 3.972 . . 1 1 1 6 GLU HA . . . . . . . . . . 111 . 27928 1 >> 165 1 1 . . 7.741 . . 1 1 1 6 GLU H . . . . . . . . . . 110 . 27928 1 >> 165 2 1 . . 2.033 . . 1 1 1 6 GLU HB2 . . . . . . . . . . 112 . 27928 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 27928 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _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 . . 9803.92156863 . . . . . . . 27928 2 >> 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27928 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27928 2 >> 2 1.0 . . 27928 2 >> 3 1.0 . . 27928 2 >> 4 1.0 . . 27928 2 >> 5 1.0 . . 27928 2 >> 6 1.0 . . 27928 2 >> 7 1.0 . . 27928 2 >> 8 1.0 . . 27928 2 >> 9 1.0 . . 27928 2 >> 10 1.0 . . 27928 2 >> 11 1.0 . . 27928 2 >> 12 1.0 . . 27928 2 >> 13 1.0 . . 27928 2 >> 14 1.0 . . 27928 2 >> 15 1.0 . . 27928 2 >> 16 1.0 . . 27928 2 >> 17 1.0 . . 27928 2 >> 18 1.0 . . 27928 2 >> 19 1.0 . . 27928 2 >> 20 1.0 . . 27928 2 >> 21 1.0 . . 27928 2 >> 22 1.0 . . 27928 2 >> 23 1.0 . . 27928 2 >> 24 1.0 . . 27928 2 >> 25 1.0 . . 27928 2 >> 26 1.0 . . 27928 2 >> 27 1.0 . . 27928 2 >> 28 1.0 . . 27928 2 >> 29 1.0 . . 27928 2 >> 30 1.0 . . 27928 2 >> 31 1.0 . . 27928 2 >> 32 1.0 . . 27928 2 >> 33 1.0 . . 27928 2 >> 34 1.0 . . 27928 2 >> 35 1.0 . . 27928 2 >> 36 1.0 . . 27928 2 >> 37 1.0 . . 27928 2 >> 38 1.0 . . 27928 2 >> 39 1.0 . . 27928 2 >> 40 1.0 . . 27928 2 >> 41 1.0 . . 27928 2 >> 42 1.0 . . 27928 2 >> 43 1.0 . . 27928 2 >> 44 1.0 . . 27928 2 >> 45 1.0 . . 27928 2 >> 46 1.0 . . 27928 2 >> 47 1.0 . . 27928 2 >> 48 1.0 . . 27928 2 >> 49 1.0 . . 27928 2 >> 50 1.0 . . 27928 2 >> 51 1.0 . . 27928 2 >> 52 1.0 . . 27928 2 >> 53 1.0 . . 27928 2 >> 54 1.0 . . 27928 2 >> 55 1.0 . . 27928 2 >> 56 1.0 . . 27928 2 >> 57 1.0 . . 27928 2 >> 58 1.0 . . 27928 2 >> 59 1.0 . . 27928 2 >> 60 1.0 . . 27928 2 >> 61 1.0 . . 27928 2 >> 62 1.0 . . 27928 2 >> 63 1.0 . . 27928 2 >> 64 1.0 . . 27928 2 >> 65 1.0 . . 27928 2 >> 66 1.0 . . 27928 2 >> 67 1.0 . . 27928 2 >> 68 1.0 . . 27928 2 >> 69 1.0 . . 27928 2 >> 70 1.0 . . 27928 2 >> 71 1.0 . . 27928 2 >> 72 1.0 . . 27928 2 >> 73 1.0 . . 27928 2 >> 74 1.0 . . 27928 2 >> 75 1.0 . . 27928 2 >> 76 1.0 . . 27928 2 >> 77 1.0 . . 27928 2 >> 78 1.0 . . 27928 2 >> 79 1.0 . . 27928 2 >> 80 1.0 . . 27928 2 >> 81 1.0 . . 27928 2 >> 82 1.0 . . 27928 2 >> 83 1.0 . . 27928 2 >> 84 1.0 . . 27928 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 37657.0 . height 27928 2 >> 1 307105.0 . volume 27928 2 >> 2 75315.5 . height 27928 2 >> 2 614894.0 . volume 27928 2 >> 3 113065.5 . height 27928 2 >> 3 912803.0 . volume 27928 2 >> 4 560056.5 . height 27928 2 >> 4 4539384.5 . volume 27928 2 >> 5 93932.0 . height 27928 2 >> 5 766682.5 . volume 27928 2 >> 6 180004.0 . height 27928 2 >> 6 1484656.0 . volume 27928 2 >> 7 184845.0 . height 27928 2 >> 7 1539351.0 . volume 27928 2 >> 8 242789.0 . height 27928 2 >> 8 1960034.5 . volume 27928 2 >> 9 136514.5 . height 27928 2 >> 9 1130152.0 . volume 27928 2 >> 10 150966.0 . height 27928 2 >> 10 1251685.0 . volume 27928 2 >> 11 247411.5 . height 27928 2 >> 11 1988539.5 . volume 27928 2 >> 12 99253.5 . height 27928 2 >> 12 791317.5 . volume 27928 2 >> 13 45676.0 . height 27928 2 >> 13 367127.0 . volume 27928 2 >> 14 52003.5 . height 27928 2 >> 14 418867.5 . volume 27928 2 >> 15 87900.0 . height 27928 2 >> 15 704915.5 . volume 27928 2 >> 16 1001547.5 . height 27928 2 >> 16 8432450.5 . volume 27928 2 >> 17 220847.0 . height 27928 2 >> 17 1625677.0 . volume 27928 2 >> 18 351861.5 . height 27928 2 >> 18 2424944.5 . volume 27928 2 >> 19 74156.0 . height 27928 2 >> 19 162084.0 . volume 27928 2 >> 20 407750.5 . height 27928 2 >> 20 3316921.5 . volume 27928 2 >> 21 518239.0 . height 27928 2 >> 21 4300506.5 . volume 27928 2 >> 22 419513.0 . height 27928 2 >> 22 3167196.5 . volume 27928 2 >> 23 54420.0 . height 27928 2 >> 23 386657.5 . volume 27928 2 >> 24 328568.0 . height 27928 2 >> 24 2683649.0 . volume 27928 2 >> 25 218969.0 . height 27928 2 >> 25 1602743.5 . volume 27928 2 >> 26 191846.5 . height 27928 2 >> 26 1356017.0 . volume 27928 2 >> 27 240616.5 . height 27928 2 >> 27 1954124.5 . volume 27928 2 >> 28 28858.0 . height 27928 2 >> 28 229779.5 . volume 27928 2 >> 29 52279.5 . height 27928 2 >> 29 450727.0 . volume 27928 2 >> 30 135860.5 . height 27928 2 >> 30 1101440.0 . volume 27928 2 >> 31 46153.5 . height 27928 2 >> 31 382625.0 . volume 27928 2 >> 32 1045257.5 . height 27928 2 >> 32 8463415.5 . volume 27928 2 >> 33 44994.5 . height 27928 2 >> 33 356872.0 . volume 27928 2 >> 34 390887.5 . height 27928 2 >> 34 3163037.5 . volume 27928 2 >> 35 479556.5 . height 27928 2 >> 35 3919516.5 . volume 27928 2 >> 36 210686.0 . height 27928 2 >> 36 1717180.0 . volume 27928 2 >> 37 198789.5 . height 27928 2 >> 37 1666985.0 . volume 27928 2 >> 38 42668.5 . height 27928 2 >> 38 348318.0 . volume 27928 2 >> 39 42771.5 . height 27928 2 >> 39 352824.5 . volume 27928 2 >> 40 398008.5 . height 27928 2 >> 40 3317481.5 . volume 27928 2 >> 41 40209.5 . height 27928 2 >> 41 331163.0 . volume 27928 2 >> 42 47518.5 . height 27928 2 >> 42 415268.5 . volume 27928 2 >> 43 313290.0 . height 27928 2 >> 43 2575420.0 . volume 27928 2 >> 44 477118.5 . height 27928 2 >> 44 3922910.5 . volume 27928 2 >> 45 170260.0 . height 27928 2 >> 45 1467858.5 . volume 27928 2 >> 46 95407.5 . height 27928 2 >> 46 785134.0 . volume 27928 2 >> 47 98966.5 . height 27928 2 >> 47 811445.5 . volume 27928 2 >> 48 40559.0 . height 27928 2 >> 48 330479.5 . volume 27928 2 >> 49 201779.5 . height 27928 2 >> 49 1662873.5 . volume 27928 2 >> 50 104871.5 . height 27928 2 >> 50 863249.0 . volume 27928 2 >> 51 52972.0 . height 27928 2 >> 51 434319.0 . volume 27928 2 >> 52 387982.0 . height 27928 2 >> 52 3032706.5 . volume 27928 2 >> 53 53782.0 . height 27928 2 >> 53 455973.0 . volume 27928 2 >> 54 62081.0 . height 27928 2 >> 54 489982.0 . volume 27928 2 >> 55 481981.0 . height 27928 2 >> 55 3923341.5 . volume 27928 2 >> 56 427667.5 . height 27928 2 >> 56 3546640.0 . volume 27928 2 >> 57 149194.5 . height 27928 2 >> 57 1214775.5 . volume 27928 2 >> 58 244265.0 . height 27928 2 >> 58 1960686.5 . volume 27928 2 >> 59 63166.5 . height 27928 2 >> 59 516046.0 . volume 27928 2 >> 60 312984.5 . height 27928 2 >> 60 2592690.0 . volume 27928 2 >> 61 41624.0 . height 27928 2 >> 61 332333.5 . volume 27928 2 >> 62 139029.5 . height 27928 2 >> 62 1125261.5 . volume 27928 2 >> 63 24230.0 . height 27928 2 >> 63 165209.0 . volume 27928 2 >> 64 26450.0 . height 27928 2 >> 64 218811.0 . volume 27928 2 >> 65 156091.5 . height 27928 2 >> 65 1268223.5 . volume 27928 2 >> 66 48392.5 . height 27928 2 >> 66 385727.0 . volume 27928 2 >> 67 71113.0 . height 27928 2 >> 67 595689.0 . volume 27928 2 >> 68 96679.5 . height 27928 2 >> 68 778940.5 . volume 27928 2 >> 69 108746.0 . height 27928 2 >> 69 921275.0 . volume 27928 2 >> 70 21613.5 . height 27928 2 >> 70 -990387.0 . volume 27928 2 >> 71 101329.0 . height 27928 2 >> 71 817632.0 . volume 27928 2 >> 72 171386.0 . height 27928 2 >> 72 1364304.5 . volume 27928 2 >> 73 224248.5 . height 27928 2 >> 73 1821565.5 . volume 27928 2 >> 74 15927.0 . height 27928 2 >> 74 113397.0 . volume 27928 2 >> 75 521025.5 . height 27928 2 >> 75 4260676.0 . volume 27928 2 >> 76 647126.0 . height 27928 2 >> 76 5096671.5 . volume 27928 2 >> 77 226401.5 . height 27928 2 >> 77 1519219.0 . volume 27928 2 >> 78 144688.5 . height 27928 2 >> 78 1199060.0 . volume 27928 2 >> 79 628645.0 . height 27928 2 >> 79 5203851.0 . volume 27928 2 >> 80 5172766.0 . height 27928 2 >> 80 41716881.0 . volume 27928 2 >> 81 66703.5 . height 27928 2 >> 81 551494.0 . volume 27928 2 >> 82 139352.5 . height 27928 2 >> 82 1163955.5 . volume 27928 2 >> 83 77049.0 . height 27928 2 >> 83 617944.0 . volume 27928 2 >> 84 222613.0 . height 27928 2 >> 84 1862062.0 . volume 27928 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.824 . 13.76984166160 . . . . . . . . . . . 27928 2 >> 1 2 4.648 . 92.55783230650 . . . . . . . . . . . 27928 2 >> 2 1 8.352 . 14.61950002930 . . . . . . . . . . . 27928 2 >> 2 2 4.742 . 88.05417547040 . . . . . . . . . . . 27928 2 >> 3 1 7.998 . 16.70566259650 . . . . . . . . . . . 27928 2 >> 3 2 4.749 . 79.54765768610 . . . . . . . . . . . 27928 2 >> 4 1 7.133 . 17.85188328990 . . . . . . . . . . . 27928 2 >> 4 2 4.752 . 79.89330618990 . . . . . . . . . . . 27928 2 >> 5 1 8.301 . 16.61844697650 . . . . . . . . . . . 27928 2 >> 5 2 4.124 . 86.58860244000 . . . . . . . . . . . 27928 2 >> 6 1 8.206 . 17.04342225020 . . . . . . . . . . . 27928 2 >> 6 2 4.015 . 93.39054425560 . . . . . . . . . . . 27928 2 >> 7 1 7.996 . 16.68287258520 . . . . . . . . . . . 27928 2 >> 7 2 4.363 . 354.11820692200 . . . . . . . . . . . 27928 2 >> 8 1 7.941 . 23.75683363750 . . . . . . . . . . . 27928 2 >> 8 2 4.237 . 84.33648184230 . . . . . . . . . . . 27928 2 >> 9 1 7.876 . 14.44682186730 . . . . . . . . . . . 27928 2 >> 9 2 3.963 . 94.99110427560 . . . . . . . . . . . 27928 2 >> 10 1 7.800 . 17.64940280540 . . . . . . . . . . . 27928 2 >> 10 2 4.010 . 99.41528825200 . . . . . . . . . . . 27928 2 >> 11 1 7.742 . 15.60210012920 . . . . . . . . . . . 27928 2 >> 11 2 4.616 . 77.14652547650 . . . . . . . . . . . 27928 2 >> 12 1 8.368 . 16.21275555850 . . . . . . . . . . . 27928 2 >> 12 2 3.701 . 77.21840166580 . . . . . . . . . . . 27928 2 >> 13 1 8.205 . 16.16775989530 . . . . . . . . . . . 27928 2 >> 13 2 3.702 . 80.90512425290 . . . . . . . . . . . 27928 2 >> 14 1 7.994 . 14.10935439320 . . . . . . . . . . . 27928 2 >> 14 2 3.699 . 80.36342321660 . . . . . . . . . . . 27928 2 >> 15 1 7.904 . 16.95401528300 . . . . . . . . . . . 27928 2 >> 15 2 3.698 . 75.89541229550 . . . . . . . . . . . 27928 2 >> 16 1 7.996 . 16.33050394990 . . . . . . . . . . . 27928 2 >> 16 2 8.335 . 100.24084180000 . . . . . . . . . . . 27928 2 >> 17 1 7.998 . 15.57638832170 . . . . . . . . . . . 27928 2 >> 17 2 8.196 . 204.58154818600 . . . . . . . . . . . 27928 2 >> 18 1 7.924 . 19.62658237010 . . . . . . . . . . . 27928 2 >> 18 2 8.109 . 55.01274969060 . . . . . . . . . . . 27928 2 >> 19 1 7.878 . 63.89442612140 . . . . . . . . . . . 27928 2 >> 19 2 8.066 . 29.31788855910 . . . . . . . . . . . 27928 2 >> 20 1 7.904 . 17.52201248620 . . . . . . . . . . . 27928 2 >> 20 2 8.206 . 83.95460306430 . . . . . . . . . . . 27928 2 >> 21 1 7.799 . 18.77341784680 . . . . . . . . . . . 27928 2 >> 21 2 8.240 . 90.34457159980 . . . . . . . . . . . 27928 2 >> 22 1 7.798 . 17.42121051340 . . . . . . . . . . . 27928 2 >> 22 2 7.996 . 60.90455195480 . . . . . . . . . . . 27928 2 >> 23 1 7.742 . 11.75321784670 . . . . . . . . . . . 27928 2 >> 23 2 8.169 . 60.47344090890 . . . . . . . . . . . 27928 2 >> 24 1 8.825 . 15.32613646750 . . . . . . . . . . . 27928 2 >> 24 2 7.937 . 86.06384782230 . . . . . . . . . . . 27928 2 >> 25 1 8.979 . 16.03554861220 . . . . . . . . . . . 27928 2 >> 25 2 8.803 . 231.96769111300 . . . . . . . . . . . 27928 2 >> 26 1 8.825 . 13.97013079890 . . . . . . . . . . . 27928 2 >> 26 2 9.004 . 56.46882688300 . . . . . . . . . . . 27928 2 >> 27 1 7.933 . 18.34128417220 . . . . . . . . . . . 27928 2 >> 27 2 8.826 . 81.42768752340 . . . . . . . . . . . 27928 2 >> 28 1 8.301 . 17.04371442980 . . . . . . . . . . . 27928 2 >> 28 2 4.747 . 76.14376498200 . . . . . . . . . . . 27928 2 >> 29 1 8.976 . 16.29748765160 . . . . . . . . . . . 27928 2 >> 29 2 2.147 . 164.19794045200 . . . . . . . . . . . 27928 2 >> 30 1 8.977 . 15.88361520390 . . . . . . . . . . . 27928 2 >> 30 2 2.558 . 82.45309193930 . . . . . . . . . . . 27928 2 >> 31 1 8.978 . 18.14304029240 . . . . . . . . . . . 27928 2 >> 31 2 7.953 . 99.64026656810 . . . . . . . . . . . 27928 2 >> 32 1 8.978 . 15.78062188390 . . . . . . . . . . . 27928 2 >> 32 2 4.636 . 82.25733158640 . . . . . . . . . . . 27928 2 >> 33 1 8.826 . 15.01131291480 . . . . . . . . . . . 27928 2 >> 33 2 2.561 . 74.86810871200 . . . . . . . . . . . 27928 2 >> 35 1 8.368 . 16.36834121220 . . . . . . . . . . . 27928 2 >> 35 2 2.015 . 87.37398128880 . . . . . . . . . . . 27928 2 >> 36 1 8.368 . 16.22137485770 . . . . . . . . . . . 27928 2 >> 36 2 1.018 . 88.98622849410 . . . . . . . . . . . 27928 2 >> 37 1 4.236 . 20.82130488230 . . . . . . . . . . . 27928 2 >> 37 2 7.960 . 98.16826558580 . . . . . . . . . . . 27928 2 >> 38 1 7.152 . 11.49931374720 . . . . . . . . . . . 27928 2 >> 38 2 8.346 . 123.32361702800 . . . . . . . . . . . 27928 2 >> 39 1 8.359 . 23.19891663160 . . . . . . . . . . . 27928 2 >> 39 2 7.131 . 90.91169226400 . . . . . . . . . . . 27928 2 >> 40 1 8.354 . 16.30508432200 . . . . . . . . . . . 27928 2 >> 40 2 2.920 . 96.73892282970 . . . . . . . . . . . 27928 2 >> 41 1 8.300 . 16.99418998230 . . . . . . . . . . . 27928 2 >> 41 2 3.185 . 96.41986267240 . . . . . . . . . . . 27928 2 >> 42 1 8.300 . 15.21773782430 . . . . . . . . . . . 27928 2 >> 42 2 2.595 . 362.27995274100 . . . . . . . . . . . 27928 2 >> 43 1 8.302 . 17.04108481310 . . . . . . . . . . . 27928 2 >> 43 2 2.241 . 88.57308649550 . . . . . . . . . . . 27928 2 >> 44 1 8.250 . 19.29729592570 . . . . . . . . . . . 27928 2 >> 44 2 7.798 . 87.56974164180 . . . . . . . . . . . 27928 2 >> 45 1 8.206 . 16.55343700860 . . . . . . . . . . . 27928 2 >> 45 2 3.148 . 156.54634026900 . . . . . . . . . . . 27928 2 >> 46 1 3.143 . 32.44245753570 . . . . . . . . . . . 27928 2 >> 46 2 8.205 . 87.90735520570 . . . . . . . . . . . 27928 2 >> 47 1 3.248 . 23.58883034950 . . . . . . . . . . . 27928 2 >> 47 2 8.210 . 87.78463976060 . . . . . . . . . . . 27928 2 >> 48 1 8.087 . 16.81727521560 . . . . . . . . . . . 27928 2 >> 48 2 4.543 . 88.74722555570 . . . . . . . . . . . 27928 2 >> 49 1 8.087 . 17.46182348210 . . . . . . . . . . . 27928 2 >> 49 2 1.901 . 90.54062413230 . . . . . . . . . . . 27928 2 >> 50 1 8.088 . 16.97738965350 . . . . . . . . . . . 27928 2 >> 50 2 1.663 . 90.13858495970 . . . . . . . . . . . 27928 2 >> 51 1 8.088 . 16.37491525390 . . . . . . . . . . . 27928 2 >> 51 2 0.947 . 89.03765210920 . . . . . . . . . . . 27928 2 >> 52 1 8.088 . 22.57818100500 . . . . . . . . . . . 27928 2 >> 52 2 7.914 . 246.77871489100 . . . . . . . . . . . 27928 2 >> 53 1 7.998 . 18.06546660030 . . . . . . . . . . . 27928 2 >> 53 2 3.185 . 162.67042534000 . . . . . . . . . . . 27928 2 >> 54 1 7.998 . 17.68884705560 . . . . . . . . . . . 27928 2 >> 54 2 1.019 . 81.92775296230 . . . . . . . . . . . 27928 2 >> 55 1 8.302 . 18.08957141990 . . . . . . . . . . . 27928 2 >> 55 2 7.995 . 86.66427696450 . . . . . . . . . . . 27928 2 >> 56 1 7.934 . 61.08687204470 . . . . . . . . . . . 27928 2 >> 56 2 1.835 . 94.10521563360 . . . . . . . . . . . 27928 2 >> 57 1 7.934 . 20.17617225650 . . . . . . . . . . . 27928 2 >> 57 2 1.573 . 89.57643134920 . . . . . . . . . . . 27928 2 >> 58 1 7.878 . 17.26635530880 . . . . . . . . . . . 27928 2 >> 58 2 4.474 . 79.42377352250 . . . . . . . . . . . 27928 2 >> 59 1 8.189 . 14.86434656030 . . . . . . . . . . . 27928 2 >> 59 2 1.482 . 92.34161937940 . . . . . . . . . . . 27928 2 >> 60 1 8.188 . 16.63349422750 . . . . . . . . . . . 27928 2 >> 60 2 7.789 . 142.67277483800 . . . . . . . . . . . 27928 2 >> 61 1 7.799 . 14.02345358160 . . . . . . . . . . . 27928 2 >> 61 2 2.107 . 99.73317969080 . . . . . . . . . . . 27928 2 >> 62 1 8.087 . 17.34553598890 . . . . . . . . . . . 27928 2 >> 62 2 4.319 . 82.96615937180 . . . . . . . . . . . 27928 2 >> 63 1 8.825 . 15.46024691820 . . . . . . . . . . . 27928 2 >> 63 2 4.420 . 51.67956445730 . . . . . . . . . . . 27928 2 >> 64 1 8.300 . 16.23773691700 . . . . . . . . . . . 27928 2 >> 64 2 4.359 . 89.30470429210 . . . . . . . . . . . 27928 2 >> 65 1 8.251 . 18.04428357700 . . . . . . . . . . . 27928 2 >> 65 2 4.409 . 82.42504269470 . . . . . . . . . . . 27928 2 >> 66 1 8.240 . 55.13312769870 . . . . . . . . . . . 27928 2 >> 66 2 3.984 . 89.76284195400 . . . . . . . . . . . 27928 2 >> 67 1 8.250 . 18.38452675760 . . . . . . . . . . . 27928 2 >> 67 2 3.188 . 108.76620517100 . . . . . . . . . . . 27928 2 >> 68 1 8.250 . 16.75124261890 . . . . . . . . . . . 27928 2 >> 68 2 4.750 . 78.65680199040 . . . . . . . . . . . 27928 2 >> 70 1 7.741 . 5.84826749914 . . . . . . . . . . . 27928 2 >> 70 2 7.930 . 5.94205716077 . . . . . . . . . . . 27928 2 >> 71 1 7.393 . 15.02621407600 . . . . . . . . . . . 27928 2 >> 71 2 7.936 . 75.62017908280 . . . . . . . . . . . 27928 2 >> 72 1 7.298 . 10.92781038850 . . . . . . . . . . . 27928 2 >> 72 2 7.912 . 78.82246784140 . . . . . . . . . . . 27928 2 >> 74 1 7.903 . 9.18700414545 . . . . . . . . . . . 27928 2 >> 74 2 8.389 . 597.46731730100 . . . . . . . . . . . 27928 2 >> 75 1 8.206 . 18.78554330150 . . . . . . . . . . . 27928 2 >> 75 2 7.907 . 332.54264032100 . . . . . . . . . . . 27928 2 >> 76 1 8.002 . 19.54097373810 . . . . . . . . . . . 27928 2 >> 76 2 7.814 . 254.18868251900 . . . . . . . . . . . 27928 2 >> 77 1 7.933 . 29.42132014850 . . . . . . . . . . . 27928 2 >> 77 2 7.750 . 304.99638295600 . . . . . . . . . . . 27928 2 >> 78 1 8.250 . 324.89922116800 . . . . . . . . . . . 27928 2 >> 78 2 7.972 . 276.22633120600 . . . . . . . . . . . 27928 2 >> 79 1 8.358 . 23.07824644390 . . . . . . . . . . . 27928 2 >> 79 2 7.992 . 89.24539182700 . . . . . . . . . . . 27928 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.824 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 1 2 2 . . 4.648 . . 1 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 2 >> 2 1 1 . . 8.352 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 2 2 1 . . 4.742 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 >> 3 1 2 . . 7.998 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 3 2 1 . . 4.749 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 >> 4 1 1 . . 7.133 . . 1 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 >> 4 2 1 . . 4.752 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 >> 5 1 1 . . 8.301 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 5 2 1 . . 4.124 . . 1 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 2 >> 6 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 6 2 2 . . 4.015 . . 1 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 2 >> 7 1 2 . . 7.996 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 7 2 1 . . 4.363 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 2 >> 8 1 1 . . 7.941 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 8 2 1 . . 4.237 . . 1 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 2 >> 9 1 1 . . 7.876 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 >> 9 2 1 . . 3.963 . . 1 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 2 >> 10 1 1 . . 7.800 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 2 >> 10 2 1 . . 4.010 . . 1 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 2 >> 11 1 1 . . 7.742 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 2 >> 11 2 2 . . 4.616 . . 1 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 2 >> 12 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 >> 12 2 1 . . 3.701 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 >> 13 1 1 . . 8.205 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 13 2 1 . . 3.702 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 >> 14 1 1 . . 7.994 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 >> 14 2 1 . . 3.699 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 >> 15 1 1 . . 7.904 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 15 2 1 . . 3.698 . . 1 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 >> 16 1 2 . . 7.996 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 16 2 1 . . 8.335 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 17 1 1 . . 7.998 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 >> 17 2 1 . . 8.196 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 18 1 1 . . 7.924 . . 1 1 1 18 SER H . . . . . . . . . . 41 . 27928 2 >> 18 2 2 . . 8.109 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 19 1 1 . . 7.878 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 >> 19 2 1 . . 8.066 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 20 1 1 . . 7.904 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 20 2 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 21 1 2 . . 7.799 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 >> 21 2 2 . . 8.240 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 22 1 2 . . 7.798 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 >> 22 2 3 . . 7.996 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 2 >> 23 1 1 . . 7.742 . . 1 1 1 22 LYS H . . . . . . . . . . 66 . 27928 2 >> 23 2 1 . . 8.169 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 >> 24 1 1 . . 8.825 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 24 2 1 . . 7.937 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 25 1 1 . . 8.979 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 25 2 1 . . 8.803 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 26 1 1 . . 8.825 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 26 2 1 . . 9.004 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 27 1 1 . . 7.933 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 27 2 1 . . 8.826 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 28 1 1 . . 8.301 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 28 2 1 . . 4.747 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 >> 29 1 1 . . 8.976 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 29 2 1 . . 2.147 . . 1 . . . . . . . . . . . . . . . 34 . 27928 2 >> 30 1 1 . . 8.977 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 30 2 1 . . 2.558 . . 1 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 2 >> 31 1 1 . . 8.978 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 31 2 1 . . 7.953 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 32 1 1 . . 8.978 . . 1 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 >> 32 2 1 . . 4.636 . . 1 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 2 >> 33 1 1 . . 8.826 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 33 2 1 . . 2.561 . . 1 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 2 >> 35 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 >> 35 2 1 . . 2.015 . . 1 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 2 >> 36 1 1 . . 8.368 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 >> 36 2 1 . . 1.018 . . 1 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 2 >> 37 1 1 . . 4.236 . . 1 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 2 >> 37 2 1 . . 7.960 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 38 1 1 . . 7.152 . . 1 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 >> 38 2 1 . . 8.346 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 39 1 2 . . 8.359 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 39 2 1 . . 7.131 . . 1 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 >> 40 1 1 . . 8.354 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 40 2 1 . . 2.920 . . 1 . . . . . . . . . . . . . . . 87 . 27928 2 >> 41 1 1 . . 8.300 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 41 2 1 . . 3.185 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 >> 42 1 1 . . 8.300 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 42 2 1 . . 2.595 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 2 >> 43 2 1 . . 2.241 . . 1 1 1 11 GLN HB2 . . . . . . . . . . 33 . 27928 2 >> 44 1 2 . . 8.250 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 44 2 2 . . 7.798 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 >> 45 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 45 2 1 . . 3.148 . . 1 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 2 >> 46 1 1 . . 3.143 . . 1 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 2 >> 46 2 1 . . 8.205 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 47 1 1 . . 3.248 . . 1 1 1 15 HIS HB3 . . . . . . . . . . 92 . 27928 2 >> 47 2 1 . . 8.210 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 48 1 1 . . 8.087 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 48 2 1 . . 4.543 . . 1 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 2 >> 49 1 1 . . 8.087 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 49 2 1 . . 1.901 . . 1 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 2 >> 50 1 1 . . 8.088 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 50 2 1 . . 1.663 . . 1 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 2 >> 51 1 1 . . 8.088 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 51 2 1 . . 0.947 . . 1 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 2 >> 52 1 1 . . 8.088 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 52 2 1 . . 7.914 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 53 1 1 . . 7.998 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 53 2 1 . . 3.185 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 >> 54 1 1 . . 7.998 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 >> 54 2 1 . . 1.019 . . 1 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 2 >> 55 1 1 . . 8.302 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 55 2 1 . . 7.995 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 55 2 2 . . 7.995 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 >> 56 1 1 . . 7.934 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 56 2 1 . . 1.835 . . 1 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 2 >> 57 1 1 . . 7.934 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 57 2 1 . . 1.573 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 2 >> 58 1 1 . . 7.878 . . 1 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 >> 58 2 1 . . 4.474 . . 1 1 1 18 SER HA . . . . . . . . . . 43 . 27928 2 >> 59 1 1 . . 8.189 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 >> 59 2 1 . . 1.482 . . 1 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 2 >> 60 1 1 . . 8.188 . . 1 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 >> 60 2 1 . . 7.789 . . 1 1 1 20 LYS H . . . . . . . . . . 59 . 27928 2 >> 61 1 1 . . 7.799 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 >> 61 2 1 . . 2.107 . . 1 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 2 >> 62 1 1 . . 8.087 . . 1 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 >> 62 2 1 . . 4.319 . . 1 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 2 >> 63 1 1 . . 8.825 . . 1 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 >> 63 2 1 . . 4.420 . . 1 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 2 >> 64 1 1 . . 8.300 . . 1 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 >> 64 2 1 . . 4.359 . . 1 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 2 >> 65 1 1 . . 8.251 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 65 2 1 . . 4.409 . . 1 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 2 >> 66 1 1 . . 8.240 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 66 2 1 . . 3.984 . . 1 1 1 6 GLU HA . . . . . . . . . . 111 . 27928 2 >> 67 1 1 . . 8.250 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 67 2 1 . . 3.188 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 >> 68 1 1 . . 8.250 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 68 2 1 . . 4.750 . . 1 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 >> 70 1 1 . . 7.741 . . 1 1 1 6 GLU H . . . . . . . . . . 110 . 27928 2 >> 70 2 1 . . 7.930 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 71 1 1 . . 7.393 . . 1 . . . . . . . . . . . . . . . 106 . 27928 2 >> 71 2 1 . . 7.936 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 72 1 1 . . 7.298 . . 1 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 2 >> 72 2 1 . . 7.912 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 74 1 1 . . 7.903 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 74 2 1 . . 8.389 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 >> 75 1 1 . . 8.206 . . 1 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 >> 75 2 1 . . 7.907 . . 1 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 >> 76 1 1 . . 8.002 . . 1 1 1 7 GLU H . . . . . . . . . . 39 . 27928 2 >> 76 2 1 . . 7.814 . . 1 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 >> 77 1 1 . . 7.933 . . 1 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 >> 77 2 1 . . 7.750 . . 1 1 1 6 GLU H . . . . . . . . . . 110 . 27928 2 >> 78 1 1 . . 8.250 . . 1 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 >> 78 2 1 . . 7.972 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 79 1 1 . . 8.358 . . 1 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 >> 79 1 2 . . 8.358 . . 1 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 >> 79 2 1 . . 7.992 . . 1 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 >> 79 2 2 . . 7.992 . . 1 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 >> >> stop_ >> >>save_ >> ; save_