data_16483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Fusion construct of CR17 from LRP-1 and ApoE residues 130-149 ; _BMRB_accession_number 16483 _BMRB_flat_file_name bmr16483.str _Entry_type original _Submission_date 2009-09-08 _Accession_date 2009-09-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guttman Miklos . . 2 Komives Elizabeth A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 2 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 398 "15N chemical shifts" 85 "T1 relaxation values" 46 "T2 relaxation values" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-02-23 update BMRB 'completed entry citation' 2010-02-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Decoding of lipoprotein-receptor interactions: properties of ligand binding modules governing interactions with apolipoprotein E.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20030366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guttman Miklos . . 2 Prieto 'J. Helena' . . 3 Croy Johnny E. . 4 Komives Elizabeth A. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1207 _Page_last 1216 _Year 2010 _Details . loop_ _Keyword ApoE 'complement repeat' 'ligand binding module' 'lipoprotein receptor' LRP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CR17 from LRP-1 and ApoE' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CR17 $entity_1 ApoE $entity_2 'CALCIUM ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CR17 _Molecular_mass 8399.479 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSKLEGKTCGPSSFSCPGTH VCVPERWLCDGDKDCADGAD ESIAAGCLYNSTGSGSGSGS TEELRVRLASHLRKLRKRLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 LYS 4 2 LEU 5 3 GLU 6 4 GLY 7 5 LYS 8 6 THR 9 7 CYS 10 8 GLY 11 9 PRO 12 10 SER 13 11 SER 14 12 PHE 15 13 SER 16 14 CYS 17 15 PRO 18 16 GLY 19 17 THR 20 18 HIS 21 19 VAL 22 20 CYS 23 21 VAL 24 22 PRO 25 23 GLU 26 24 ARG 27 25 TRP 28 26 LEU 29 27 CYS 30 28 ASP 31 29 GLY 32 30 ASP 33 31 LYS 34 32 ASP 35 33 CYS 36 34 ALA 37 35 ASP 38 36 GLY 39 37 ALA 40 38 ASP 41 39 GLU 42 40 SER 43 41 ILE 44 42 ALA 45 43 ALA 46 44 GLY 47 45 CYS 48 46 LEU 49 47 TYR 50 48 ASN 51 49 SER 52 50 THR 53 51 GLY 54 52 SER 55 53 GLY 56 54 SER 57 55 GLY 58 56 SER 59 57 GLY 60 58 SER 61 59 THR 62 60 GLU 63 61 GLU 64 62 LEU 65 63 ARG 66 64 VAL 67 65 ARG 68 66 LEU 69 67 ALA 70 68 SER 71 69 HIS 72 70 LEU 73 71 ARG 74 72 LYS 75 73 LEU 76 74 ARG 77 75 LYS 78 76 ARG 79 77 LEU 80 78 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16482 CR17 60.00 50 100.00 100.00 2.57e-26 PDB 2KNX "Solution Structure Of Complement Repeat Cr17 From Lrp-1" 60.00 50 100.00 100.00 2.57e-26 PDB 2KNY "Fusion Construct Of Cr17 From Lrp-1 And Apoe Residues 130-14" 100.00 80 100.00 100.00 1.06e-48 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apoE _Molecular_mass 8399.479 _Mol_thiol_state 'not present' _Details . _Residue_count 23 _Mol_residue_sequence ; GSYTEELRVRLASHLRKLRK RLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 127 GLY 2 128 SER 3 129 TYR 4 130 THR 5 131 GLU 6 132 GLU 7 133 LEU 8 134 ARG 9 135 VAL 10 136 ARG 11 137 LEU 12 138 ALA 13 139 SER 14 140 HIS 15 141 LEU 16 142 ARG 17 143 LYS 18 144 LEU 19 145 ARG 20 146 LYS 21 147 ARG 22 148 LEU 23 149 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KNY "Fusion Construct Of Cr17 From Lrp-1 And Apoe Residues 130-14" 82.61 80 100.00 100.00 3.70e-02 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21-DE3 pMMHB $entity_2 'recombinant technology' . Escherichia coli BL21-DE3 pMMHB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'buffer included 50mM of both deuterated glutamic acid and deuterated arginine' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 20 mM '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' $CA 5 mM 'natural abundance' $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'buffer included 50mM of both deuterated glutamic acid and deuterated arginine' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 20 mM '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' $CA 5 mM 'natural abundance' $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'buffer included 50mM of both deuterated glutamic acid and deuterated arginine' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 20 mM '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' $CA 5 mM 'natural abundance' $entity_1 0.8 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 20 mM '[U-99% 2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' EDTA 2 mM '[U-99% 2H]' $entity_2 0.5 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 20 mM '[U-99% 2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' EDTA 2 mM '[U-99% 2H]' $entity_2 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_5 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_5 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.45 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.45 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CR17 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 1 GLY HA2 H 3.687 0.005 2 2 -1 1 GLY HA3 H 3.687 0.005 2 3 -1 1 GLY CA C 43.981 0.005 1 4 0 2 SER HA H 4.444 0.005 1 5 0 2 SER HB2 H 3.840 0.005 2 6 0 2 SER HB3 H 3.780 0.005 2 7 0 2 SER CA C 58.195 0.004 1 8 0 2 SER CB C 64.090 0.007 1 9 1 3 LYS H H 8.509 0.003 1 10 1 3 LYS HA H 4.267 0.005 1 11 1 3 LYS HB2 H 1.728 0.005 2 12 1 3 LYS HB3 H 1.640 0.005 2 13 1 3 LYS HD2 H 1.503 0.005 2 14 1 3 LYS HD3 H 1.503 0.005 2 15 1 3 LYS HE2 H 2.778 0.005 2 16 1 3 LYS HE3 H 2.662 0.005 2 17 1 3 LYS HG2 H 1.321 0.005 2 18 1 3 LYS HG3 H 1.258 0.005 2 19 1 3 LYS C C 176.521 0.005 1 20 1 3 LYS CA C 56.706 0.055 1 21 1 3 LYS CB C 32.780 0.028 1 22 1 3 LYS CD C 29.096 0.004 1 23 1 3 LYS CE C 41.744 0.045 1 24 1 3 LYS CG C 24.750 0.020 1 25 1 3 LYS N N 123.080 0.001 1 26 2 4 LEU H H 8.253 0.002 1 27 2 4 LEU HA H 4.281 0.005 1 28 2 4 LEU HB2 H 1.542 0.005 2 29 2 4 LEU HB3 H 1.542 0.005 2 30 2 4 LEU HD1 H 0.791 0.005 2 31 2 4 LEU HD2 H 0.841 0.005 2 32 2 4 LEU HG H 1.541 0.005 1 33 2 4 LEU C C 177.261 0.005 1 34 2 4 LEU CA C 55.267 0.026 1 35 2 4 LEU CB C 42.194 0.032 1 36 2 4 LEU CD1 C 23.500 0.013 2 37 2 4 LEU CD2 C 24.922 0.003 2 38 2 4 LEU CG C 27.025 0.005 1 39 2 4 LEU N N 122.231 0.013 1 40 3 5 GLU H H 8.268 0.001 1 41 3 5 GLU HA H 4.219 0.005 1 42 3 5 GLU HB2 H 1.986 0.005 2 43 3 5 GLU HB3 H 1.893 0.005 2 44 3 5 GLU HG2 H 2.191 0.005 2 45 3 5 GLU HG3 H 2.191 0.005 2 46 3 5 GLU C C 176.795 0.005 1 47 3 5 GLU CA C 56.670 0.020 1 48 3 5 GLU CB C 30.457 0.009 1 49 3 5 GLU CG C 36.297 0.004 1 50 3 5 GLU N N 121.048 0.012 1 51 4 6 GLY H H 8.351 0.003 1 52 4 6 GLY HA2 H 3.858 0.005 2 53 4 6 GLY HA3 H 3.858 0.005 2 54 4 6 GLY C C 173.960 0.005 1 55 4 6 GLY CA C 45.345 0.005 1 56 4 6 GLY N N 109.241 0.008 1 57 5 7 LYS H H 8.125 0.004 1 58 5 7 LYS HA H 4.328 0.005 1 59 5 7 LYS HB2 H 1.771 0.005 2 60 5 7 LYS HB3 H 1.658 0.005 2 61 5 7 LYS HD2 H 1.599 0.005 2 62 5 7 LYS HD3 H 1.599 0.005 2 63 5 7 LYS HE2 H 2.900 0.005 2 64 5 7 LYS HE3 H 2.850 0.005 2 65 5 7 LYS HG2 H 1.330 0.005 2 66 5 7 LYS HG3 H 1.253 0.005 2 67 5 7 LYS C C 176.699 0.005 1 68 5 7 LYS CA C 56.161 0.020 1 69 5 7 LYS CB C 33.028 0.015 1 70 5 7 LYS CD C 29.152 0.034 1 71 5 7 LYS CE C 42.115 0.008 1 72 5 7 LYS CG C 24.757 0.012 1 73 5 7 LYS N N 120.310 0.031 1 74 6 8 THR H H 8.106 0.005 1 75 6 8 THR HA H 4.310 0.005 1 76 6 8 THR HB H 4.147 0.002 1 77 6 8 THR HG2 H 1.130 0.005 1 78 6 8 THR CA C 61.778 0.004 1 79 6 8 THR CB C 70.000 0.007 1 80 6 8 THR CG2 C 21.572 0.005 1 81 6 8 THR N N 114.840 0.038 1 82 7 9 CYS HA H 4.630 0.005 1 83 7 9 CYS HB2 H 3.089 0.005 2 84 7 9 CYS HB3 H 2.681 0.005 2 85 7 9 CYS CA C 54.739 0.005 1 86 7 9 CYS CB C 39.876 0.002 1 87 8 10 GLY HA2 H 4.045 0.005 2 88 8 10 GLY HA3 H 4.045 0.005 2 89 8 10 GLY CA C 44.723 0.005 1 90 9 11 PRO HA H 4.351 0.005 1 91 9 11 PRO HB2 H 2.281 0.005 2 92 9 11 PRO HB3 H 1.912 0.003 2 93 9 11 PRO HD2 H 3.569 0.005 2 94 9 11 PRO HD3 H 3.569 0.005 2 95 9 11 PRO HG2 H 1.982 0.005 2 96 9 11 PRO HG3 H 1.982 0.005 2 97 9 11 PRO CA C 64.073 0.053 1 98 9 11 PRO CB C 32.088 0.007 1 99 9 11 PRO CD C 49.716 0.008 1 100 9 11 PRO CG C 27.297 0.007 1 101 10 12 SER H H 8.608 0.014 1 102 10 12 SER HA H 4.371 0.005 1 103 10 12 SER HB2 H 3.935 0.005 2 104 10 12 SER HB3 H 3.935 0.005 2 105 10 12 SER C C 173.892 0.005 1 106 10 12 SER CA C 58.226 0.033 1 107 10 12 SER CB C 62.640 0.032 1 108 10 12 SER N N 113.202 0.030 1 109 11 13 SER H H 7.661 0.002 1 110 11 13 SER HA H 4.842 0.005 1 111 11 13 SER HB2 H 3.491 0.001 2 112 11 13 SER HB3 H 3.491 0.001 2 113 11 13 SER C C 171.591 0.005 1 114 11 13 SER CA C 57.786 0.019 1 115 11 13 SER CB C 65.917 0.008 1 116 11 13 SER N N 114.870 0.004 1 117 12 14 PHE H H 9.404 0.006 1 118 12 14 PHE HB2 H 2.900 0.005 2 119 12 14 PHE HB3 H 2.829 0.005 2 120 12 14 PHE HD1 H 7.044 0.011 3 121 12 14 PHE HD2 H 7.044 0.011 3 122 12 14 PHE HE1 H 7.196 0.005 3 123 12 14 PHE HE2 H 7.196 0.005 3 124 12 14 PHE HZ H 6.928 0.001 1 125 12 14 PHE C C 173.768 0.005 1 126 12 14 PHE CA C 56.514 0.010 1 127 12 14 PHE CB C 43.249 0.040 1 128 12 14 PHE CD1 C 132.363 0.025 3 129 12 14 PHE CE1 C 130.830 0.010 3 130 12 14 PHE CZ C 129.262 0.020 1 131 12 14 PHE N N 124.561 0.032 1 132 13 15 SER H H 7.907 0.002 1 133 13 15 SER HB2 H 3.471 0.005 2 134 13 15 SER HB3 H 3.423 0.005 2 135 13 15 SER C C 173.714 0.005 1 136 13 15 SER CA C 56.534 0.027 1 137 13 15 SER CB C 63.511 0.018 1 138 13 15 SER N N 121.256 0.016 1 139 14 16 CYS H H 8.314 0.006 1 140 14 16 CYS HA H 4.671 0.005 1 141 14 16 CYS HB2 H 3.584 0.002 2 142 14 16 CYS HB3 H 2.841 0.003 2 143 14 16 CYS CA C 52.779 0.023 1 144 14 16 CYS CB C 36.105 0.015 1 145 14 16 CYS N N 126.048 0.033 1 146 15 17 PRO HA H 4.155 0.008 1 147 15 17 PRO HB2 H 2.214 0.004 2 148 15 17 PRO HB3 H 1.919 0.008 2 149 15 17 PRO HD2 H 4.156 0.005 2 150 15 17 PRO HD3 H 3.810 0.001 2 151 15 17 PRO HG2 H 2.142 0.001 2 152 15 17 PRO HG3 H 1.893 0.007 2 153 15 17 PRO CA C 64.025 0.005 1 154 15 17 PRO CB C 32.106 0.005 1 155 15 17 PRO CD C 51.331 0.020 1 156 15 17 PRO CG C 27.522 0.013 1 157 16 18 GLY HA2 H 4.098 0.005 2 158 16 18 GLY HA3 H 3.622 0.005 2 159 16 18 GLY C C 174.056 0.005 1 160 16 18 GLY CA C 45.719 0.021 1 161 17 19 THR H H 7.669 0.001 1 162 17 19 THR HB H 4.281 0.002 1 163 17 19 THR HG2 H 1.093 0.005 1 164 17 19 THR CA C 60.465 0.005 1 165 17 19 THR CB C 72.332 0.020 1 166 17 19 THR CG2 C 21.220 0.005 1 167 17 19 THR N N 108.937 0.007 1 168 18 20 HIS HB2 H 3.251 0.002 2 169 18 20 HIS HB3 H 3.044 0.002 2 170 18 20 HIS HD2 H 6.877 0.001 1 171 18 20 HIS HE1 H 7.744 0.005 1 172 18 20 HIS C C 174.741 0.005 1 173 18 20 HIS CA C 55.946 0.005 1 174 18 20 HIS CB C 29.389 0.069 1 175 18 20 HIS CD2 C 119.776 0.012 1 176 18 20 HIS CE1 C 138.302 0.007 1 177 19 21 VAL H H 7.848 0.004 1 178 19 21 VAL HA H 3.994 0.005 1 179 19 21 VAL HB H 1.887 0.005 1 180 19 21 VAL HG1 H 0.928 0.005 2 181 19 21 VAL HG2 H 0.932 0.005 2 182 19 21 VAL C C 175.672 0.005 1 183 19 21 VAL CA C 63.098 0.049 1 184 19 21 VAL CB C 33.492 0.076 1 185 19 21 VAL CG1 C 21.599 0.005 2 186 19 21 VAL CG2 C 21.632 0.005 2 187 19 21 VAL N N 120.054 0.009 1 188 20 22 CYS H H 8.592 0.006 1 189 20 22 CYS HA H 5.376 0.004 1 190 20 22 CYS HB2 H 2.900 0.005 2 191 20 22 CYS HB3 H 2.759 0.005 2 192 20 22 CYS C C 174.262 0.005 1 193 20 22 CYS CA C 53.793 0.061 1 194 20 22 CYS CB C 43.057 0.116 1 195 20 22 CYS N N 125.646 0.023 1 196 21 23 VAL H H 9.396 0.006 1 197 21 23 VAL HB H 2.188 0.001 1 198 21 23 VAL HG1 H 1.030 0.010 2 199 21 23 VAL HG2 H 1.084 0.005 2 200 21 23 VAL CA C 57.933 0.005 1 201 21 23 VAL CB C 34.081 0.018 1 202 21 23 VAL CG1 C 20.558 0.005 2 203 21 23 VAL CG2 C 22.400 0.005 2 204 21 23 VAL N N 119.984 0.069 1 205 22 24 PRO HA H 4.258 0.001 1 206 22 24 PRO HB2 H 1.988 0.003 2 207 22 24 PRO HB3 H 1.161 0.005 2 208 22 24 PRO HD2 H 3.045 0.003 2 209 22 24 PRO HD3 H 2.457 0.004 2 210 22 24 PRO HG2 H 1.091 0.002 2 211 22 24 PRO HG3 H 0.579 0.005 2 212 22 24 PRO C C 177.097 0.005 1 213 22 24 PRO CA C 62.577 0.037 1 214 22 24 PRO CB C 32.233 0.040 1 215 22 24 PRO CD C 50.115 0.006 1 216 22 24 PRO CG C 26.619 0.031 1 217 23 25 GLU H H 8.189 0.002 1 218 23 25 GLU HA H 3.828 0.022 1 219 23 25 GLU HB2 H 1.969 0.005 2 220 23 25 GLU HB3 H 1.874 0.005 2 221 23 25 GLU HG2 H 2.148 0.005 2 222 23 25 GLU HG3 H 2.148 0.005 2 223 23 25 GLU C C 178.754 0.005 1 224 23 25 GLU CA C 59.389 0.027 1 225 23 25 GLU CB C 29.193 0.015 1 226 23 25 GLU CG C 36.341 0.031 1 227 23 25 GLU N N 121.542 0.042 1 228 24 26 ARG H H 8.111 0.001 1 229 24 26 ARG HA H 4.238 0.011 1 230 24 26 ARG HB2 H 1.849 0.005 2 231 24 26 ARG HB3 H 1.747 0.005 2 232 24 26 ARG HD2 H 3.137 0.001 2 233 24 26 ARG HD3 H 3.137 0.001 2 234 24 26 ARG HG2 H 1.486 0.001 2 235 24 26 ARG HG3 H 1.486 0.001 2 236 24 26 ARG C C 176.480 0.005 1 237 24 26 ARG CA C 57.627 0.037 1 238 24 26 ARG CB C 29.522 0.028 1 239 24 26 ARG CD C 43.364 0.105 1 240 24 26 ARG CG C 27.170 0.054 1 241 24 26 ARG N N 115.518 0.019 1 242 25 27 TRP H H 8.047 0.003 1 243 25 27 TRP HA H 5.256 0.012 1 244 25 27 TRP HB2 H 3.815 0.005 2 245 25 27 TRP HB3 H 2.950 0.003 2 246 25 27 TRP HD1 H 6.749 0.010 1 247 25 27 TRP HE1 H 10.021 0.003 1 248 25 27 TRP HE3 H 7.277 0.001 1 249 25 27 TRP HH2 H 7.185 0.027 1 250 25 27 TRP HZ2 H 7.376 0.013 1 251 25 27 TRP HZ3 H 7.107 0.001 1 252 25 27 TRP C C 177.371 0.005 1 253 25 27 TRP CA C 54.269 0.081 1 254 25 27 TRP CB C 28.071 0.031 1 255 25 27 TRP CD1 C 123.233 0.032 1 256 25 27 TRP CE3 C 121.181 0.024 1 257 25 27 TRP CH2 C 124.996 0.002 1 258 25 27 TRP CZ2 C 114.501 0.007 1 259 25 27 TRP CZ3 C 121.240 0.023 1 260 25 27 TRP N N 117.519 0.027 1 261 25 27 TRP NE1 N 126.218 0.017 1 262 26 28 LEU H H 7.980 0.004 1 263 26 28 LEU HA H 4.493 0.012 1 264 26 28 LEU HB2 H 1.841 0.012 2 265 26 28 LEU HB3 H 1.487 0.012 2 266 26 28 LEU HD1 H 0.297 0.005 2 267 26 28 LEU HD2 H 0.758 0.005 2 268 26 28 LEU HG H 1.753 0.001 1 269 26 28 LEU C C 176.179 0.005 1 270 26 28 LEU CA C 55.284 0.037 1 271 26 28 LEU CB C 40.261 0.023 1 272 26 28 LEU CD1 C 22.063 0.004 2 273 26 28 LEU CD2 C 24.636 0.005 2 274 26 28 LEU CG C 26.745 0.034 1 275 26 28 LEU N N 126.157 0.060 1 276 27 29 CYS H H 8.749 0.003 1 277 27 29 CYS HA H 4.476 0.005 1 278 27 29 CYS HB2 H 3.227 0.003 2 279 27 29 CYS HB3 H 2.998 0.001 2 280 27 29 CYS C C 175.659 0.005 1 281 27 29 CYS CA C 54.542 0.038 1 282 27 29 CYS CB C 34.318 0.013 1 283 27 29 CYS N N 120.264 0.016 1 284 28 30 ASP H H 9.631 0.007 1 285 28 30 ASP HB2 H 2.355 0.005 2 286 28 30 ASP HB3 H 3.085 0.005 2 287 28 30 ASP CA C 52.503 0.012 1 288 28 30 ASP CB C 41.912 0.028 1 289 28 30 ASP N N 120.938 0.021 1 290 29 31 GLY H H 9.588 0.009 1 291 29 31 GLY HA2 H 4.163 0.005 2 292 29 31 GLY HA3 H 3.406 0.005 2 293 29 31 GLY C C 173.193 0.005 1 294 29 31 GLY CA C 45.427 0.026 1 295 29 31 GLY N N 111.573 0.031 1 296 30 32 ASP H H 7.548 0.001 1 297 30 32 ASP HB2 H 2.340 0.005 2 298 30 32 ASP HB3 H 2.274 0.005 2 299 30 32 ASP CA C 52.143 0.005 1 300 30 32 ASP CB C 42.308 0.022 1 301 30 32 ASP N N 118.560 0.018 1 302 31 33 LYS HA H 4.286 0.005 1 303 31 33 LYS HB2 H 1.829 0.005 2 304 31 33 LYS HB3 H 1.751 0.008 2 305 31 33 LYS HD2 H 1.596 0.005 2 306 31 33 LYS HD3 H 1.596 0.005 2 307 31 33 LYS HE2 H 2.889 0.005 2 308 31 33 LYS HE3 H 2.889 0.005 2 309 31 33 LYS HG2 H 1.562 0.003 2 310 31 33 LYS HG3 H 1.103 0.002 2 311 31 33 LYS C C 173.974 0.005 1 312 31 33 LYS CA C 57.237 0.010 1 313 31 33 LYS CB C 30.608 0.032 1 314 31 33 LYS CD C 29.660 0.035 1 315 31 33 LYS CE C 41.877 0.010 1 316 31 33 LYS CG C 25.628 0.017 1 317 32 34 ASP H H 10.107 0.006 1 318 32 34 ASP HA H 4.549 0.005 1 319 32 34 ASP HB2 H 2.812 0.008 2 320 32 34 ASP HB3 H 2.651 0.005 2 321 32 34 ASP C C 177.795 0.005 1 322 32 34 ASP CA C 56.921 0.013 1 323 32 34 ASP CB C 43.476 0.028 1 324 32 34 ASP N N 128.833 0.025 1 325 33 35 CYS H H 8.431 0.002 1 326 33 35 CYS HA H 4.985 0.005 1 327 33 35 CYS HB2 H 3.657 0.001 2 328 33 35 CYS HB3 H 2.922 0.001 2 329 33 35 CYS CA C 52.370 0.021 1 330 33 35 CYS CB C 37.935 0.022 1 331 33 35 CYS N N 117.478 0.007 1 332 34 36 ALA HA H 4.061 0.005 1 333 34 36 ALA HB H 1.440 0.003 1 334 34 36 ALA C C 178.274 0.005 1 335 34 36 ALA CA C 55.724 0.016 1 336 34 36 ALA CB C 18.183 0.043 1 337 35 37 ASP H H 8.115 0.001 1 338 35 37 ASP HA H 4.555 0.005 1 339 35 37 ASP HB2 H 2.545 0.005 2 340 35 37 ASP HB3 H 3.035 0.005 2 341 35 37 ASP C C 178.576 0.005 1 342 35 37 ASP CA C 52.681 0.038 1 343 35 37 ASP CB C 40.753 0.021 1 344 35 37 ASP N N 113.220 0.014 1 345 36 38 GLY H H 8.348 0.009 1 346 36 38 GLY HA2 H 3.939 0.005 2 347 36 38 GLY HA3 H 3.559 0.005 2 348 36 38 GLY C C 177.234 0.005 1 349 36 38 GLY CA C 46.207 0.022 1 350 36 38 GLY N N 105.794 0.016 1 351 37 39 ALA H H 8.598 0.002 1 352 37 39 ALA HA H 4.021 0.005 1 353 37 39 ALA HB H 1.786 0.001 1 354 37 39 ALA C C 179.178 0.005 1 355 37 39 ALA CA C 56.078 0.024 1 356 37 39 ALA CB C 19.898 0.020 1 357 37 39 ALA N N 123.019 0.022 1 358 38 40 ASP H H 9.750 0.002 1 359 38 40 ASP HA H 3.639 0.001 1 360 38 40 ASP HB2 H 2.716 0.005 2 361 38 40 ASP HB3 H 2.588 0.005 2 362 38 40 ASP C C 172.522 0.005 1 363 38 40 ASP CA C 54.867 0.016 1 364 38 40 ASP CB C 40.632 0.034 1 365 38 40 ASP N N 110.688 0.043 1 366 39 41 GLU H H 7.550 0.003 1 367 39 41 GLU HB2 H 2.457 0.005 2 368 39 41 GLU HB3 H 1.561 0.005 2 369 39 41 GLU HG2 H 2.072 0.005 2 370 39 41 GLU HG3 H 1.861 0.005 2 371 39 41 GLU C C 175.604 0.005 1 372 39 41 GLU CA C 54.195 0.033 1 373 39 41 GLU CB C 30.672 0.018 1 374 39 41 GLU CG C 36.802 0.003 1 375 39 41 GLU N N 115.442 0.011 1 376 40 42 SER H H 7.321 0.004 1 377 40 42 SER HA H 4.766 0.005 1 378 40 42 SER HB2 H 4.301 0.002 2 379 40 42 SER HB3 H 3.916 0.005 2 380 40 42 SER C C 175.960 0.005 1 381 40 42 SER CA C 57.542 0.051 1 382 40 42 SER CB C 67.695 0.023 1 383 40 42 SER N N 115.713 0.015 1 384 41 43 ILE H H 8.724 0.006 1 385 41 43 ILE HA H 4.034 0.005 1 386 41 43 ILE HB H 1.856 0.005 1 387 41 43 ILE HD1 H 0.839 0.003 1 388 41 43 ILE HG12 H 1.486 0.005 2 389 41 43 ILE HG13 H 1.234 0.005 2 390 41 43 ILE HG2 H 0.926 0.001 1 391 41 43 ILE C C 179.137 0.005 1 392 41 43 ILE CA C 63.825 0.033 1 393 41 43 ILE CB C 38.055 0.049 1 394 41 43 ILE CD1 C 13.574 0.015 1 395 41 43 ILE CG1 C 28.471 0.012 1 396 41 43 ILE CG2 C 17.454 0.010 1 397 41 43 ILE N N 120.896 0.018 1 398 42 44 ALA H H 8.159 0.002 1 399 42 44 ALA HA H 4.171 0.005 1 400 42 44 ALA HB H 1.501 0.001 1 401 42 44 ALA C C 178.411 0.005 1 402 42 44 ALA CA C 54.651 0.012 1 403 42 44 ALA CB C 18.309 0.029 1 404 42 44 ALA N N 124.513 0.042 1 405 43 45 ALA H H 7.370 0.002 1 406 43 45 ALA HA H 4.208 0.005 1 407 43 45 ALA HB H 1.154 0.003 1 408 43 45 ALA C C 176.412 0.005 1 409 43 45 ALA CA C 51.699 0.016 1 410 43 45 ALA CB C 19.890 0.015 1 411 43 45 ALA N N 118.647 0.006 1 412 44 46 GLY H H 7.889 0.002 1 413 44 46 GLY HA2 H 4.141 0.005 2 414 44 46 GLY HA3 H 3.598 0.005 2 415 44 46 GLY C C 174.330 0.005 1 416 44 46 GLY CA C 44.892 0.020 1 417 44 46 GLY N N 104.049 0.017 1 418 45 47 CYS H H 7.318 0.005 1 419 45 47 CYS HA H 4.594 0.005 1 420 45 47 CYS HB2 H 2.917 0.003 2 421 45 47 CYS HB3 H 2.059 0.001 2 422 45 47 CYS C C 174.412 0.005 1 423 45 47 CYS CA C 52.561 0.007 1 424 45 47 CYS CB C 34.218 0.028 1 425 45 47 CYS N N 117.329 0.016 1 426 46 48 LEU H H 8.245 0.002 1 427 46 48 LEU HA H 4.229 0.005 1 428 46 48 LEU HB2 H 1.406 0.005 2 429 46 48 LEU HB3 H 1.406 0.005 2 430 46 48 LEU HD1 H 0.751 0.005 2 431 46 48 LEU HD2 H 0.836 0.005 2 432 46 48 LEU HG H 1.462 0.005 1 433 46 48 LEU C C 176.809 0.005 1 434 46 48 LEU CA C 55.118 0.022 1 435 46 48 LEU CB C 42.699 0.032 1 436 46 48 LEU CD1 C 23.569 0.011 2 437 46 48 LEU CD2 C 24.944 0.012 2 438 46 48 LEU CG C 26.998 0.044 1 439 46 48 LEU N N 122.737 0.033 1 440 47 49 TYR H H 8.033 0.003 1 441 47 49 TYR HA H 4.492 0.005 1 442 47 49 TYR HB2 H 2.971 0.005 2 443 47 49 TYR HB3 H 2.847 0.005 2 444 47 49 TYR HD1 H 7.001 0.005 3 445 47 49 TYR HD2 H 7.001 0.005 3 446 47 49 TYR HE1 H 6.721 0.005 3 447 47 49 TYR HE2 H 6.721 0.005 3 448 47 49 TYR CA C 57.557 0.048 1 449 47 49 TYR CB C 38.827 0.018 1 450 47 49 TYR CD1 C 133.232 0.003 3 451 47 49 TYR CE1 C 118.101 0.010 3 452 47 49 TYR N N 119.202 0.022 1 453 48 50 ASN H H 8.289 0.007 1 454 48 50 ASN HB2 H 2.742 0.005 2 455 48 50 ASN HB3 H 2.614 0.005 2 456 48 50 ASN HD21 H 7.547 0.001 2 457 48 50 ASN HD22 H 6.854 0.003 2 458 48 50 ASN CA C 52.857 0.053 1 459 48 50 ASN CB C 38.990 0.018 1 460 48 50 ASN N N 119.722 0.028 1 461 48 50 ASN ND2 N 111.688 0.268 1 462 49 51 SER H H 8.267 0.014 1 463 49 51 SER HA H 4.417 0.005 1 464 49 51 SER HB2 H 3.886 0.005 2 465 49 51 SER HB3 H 3.795 0.005 2 466 49 51 SER C C 175.097 0.005 1 467 49 51 SER CA C 58.623 0.024 1 468 49 51 SER CB C 63.829 0.039 1 469 49 51 SER N N 115.945 0.018 1 470 50 52 THR H H 8.177 0.006 1 471 50 52 THR HA H 4.331 0.005 1 472 50 52 THR HB H 4.242 0.005 1 473 50 52 THR HG2 H 1.151 0.005 1 474 50 52 THR C C 175.261 0.005 1 475 50 52 THR CA C 62.198 0.057 1 476 50 52 THR CB C 69.751 0.016 1 477 50 52 THR CG2 C 21.610 0.001 1 478 50 52 THR N N 114.213 0.028 1 479 51 53 GLY H H 8.339 0.011 1 480 51 53 GLY HA2 H 3.966 0.005 2 481 51 53 GLY HA3 H 3.966 0.005 2 482 51 53 GLY C C 174.316 0.005 1 483 51 53 GLY CA C 45.436 0.024 1 484 51 53 GLY N N 110.373 0.032 1 485 52 54 SER H H 8.247 0.007 1 486 52 54 SER HA H 4.418 0.005 1 487 52 54 SER C C 175.165 0.005 1 488 52 54 SER CA C 58.568 0.068 1 489 52 54 SER CB C 63.965 0.028 1 490 52 54 SER N N 115.133 0.029 1 491 53 55 GLY H H 8.505 0.005 1 492 53 55 GLY CA C 45.455 0.005 1 493 53 55 GLY N N 110.395 0.025 1 494 54 56 SER HB2 H 3.850 0.005 2 495 54 56 SER HB3 H 3.813 0.005 2 496 54 56 SER CB C 63.959 0.003 1 497 129 60 SER HA H 4.494 0.005 1 498 129 60 SER HB2 H 3.950 0.005 2 499 129 60 SER HB3 H 3.852 0.005 2 500 129 60 SER C C 176.987 0.005 1 501 129 60 SER CA C 58.273 0.056 1 502 129 60 SER CB C 64.072 0.013 1 503 130 61 THR H H 8.295 0.009 1 504 130 61 THR HA H 4.204 0.003 1 505 130 61 THR HB H 4.258 0.005 1 506 130 61 THR HG2 H 1.186 0.005 1 507 130 61 THR C C 175.398 0.005 1 508 130 61 THR CA C 63.195 0.046 1 509 130 61 THR CB C 69.425 0.052 1 510 130 61 THR CG2 C 21.931 0.014 1 511 130 61 THR N N 115.452 0.031 1 512 131 62 GLU H H 8.424 0.002 1 513 131 62 GLU HA H 4.140 0.005 1 514 131 62 GLU HB2 H 1.945 0.005 2 515 131 62 GLU HB3 H 1.945 0.005 2 516 131 62 GLU HG2 H 2.226 0.005 2 517 131 62 GLU HG3 H 2.226 0.005 2 518 131 62 GLU C C 177.261 0.005 1 519 131 62 GLU CA C 58.068 0.023 1 520 131 62 GLU CB C 29.817 0.036 1 521 131 62 GLU CG C 36.166 0.002 1 522 131 62 GLU N N 122.007 0.009 1 523 132 63 GLU H H 8.200 0.003 1 524 132 63 GLU HA H 4.074 0.005 1 525 132 63 GLU HB2 H 1.970 0.005 2 526 132 63 GLU HB3 H 1.970 0.005 2 527 132 63 GLU HG2 H 2.248 0.005 2 528 132 63 GLU HG3 H 2.216 0.005 2 529 132 63 GLU C C 177.727 0.005 1 530 132 63 GLU CA C 58.059 0.040 1 531 132 63 GLU CB C 29.866 0.015 1 532 132 63 GLU CG C 36.526 0.009 1 533 132 63 GLU N N 119.849 0.009 1 534 133 64 LEU H H 8.043 0.001 1 535 133 64 LEU HA H 4.107 0.005 1 536 133 64 LEU HB2 H 1.653 0.005 2 537 133 64 LEU HB3 H 1.581 0.005 2 538 133 64 LEU HD1 H 0.807 0.005 2 539 133 64 LEU HD2 H 0.849 0.005 2 540 133 64 LEU HG H 1.582 0.005 1 541 133 64 LEU C C 178.110 0.005 1 542 133 64 LEU CA C 56.834 0.038 1 543 133 64 LEU CB C 41.859 0.015 1 544 133 64 LEU CD1 C 23.917 0.013 2 545 133 64 LEU CD2 C 24.642 0.011 2 546 133 64 LEU CG C 27.001 0.005 1 547 133 64 LEU N N 120.927 0.025 1 548 134 65 ARG H H 8.124 0.002 1 549 134 65 ARG HA H 4.069 0.005 1 550 134 65 ARG HB2 H 1.827 0.005 2 551 134 65 ARG HB3 H 1.827 0.005 2 552 134 65 ARG HD2 H 3.137 0.005 2 553 134 65 ARG HD3 H 3.137 0.005 2 554 134 65 ARG HG2 H 1.653 0.005 2 555 134 65 ARG HG3 H 1.534 0.005 2 556 134 65 ARG C C 177.877 0.005 1 557 134 65 ARG CA C 58.260 0.070 1 558 134 65 ARG CB C 30.330 0.028 1 559 134 65 ARG CD C 43.395 0.074 1 560 134 65 ARG CG C 27.497 0.008 1 561 134 65 ARG N N 119.235 0.033 1 562 135 66 VAL H H 7.877 0.003 1 563 135 66 VAL HA H 3.844 0.005 1 564 135 66 VAL HB H 2.067 0.005 1 565 135 66 VAL HG1 H 0.877 0.005 2 566 135 66 VAL HG2 H 0.942 0.005 2 567 135 66 VAL C C 177.398 0.005 1 568 135 66 VAL CA C 64.159 0.073 1 569 135 66 VAL CB C 32.312 0.019 1 570 135 66 VAL CG1 C 21.162 0.005 2 571 135 66 VAL CG2 C 21.640 0.005 2 572 135 66 VAL N N 118.973 0.013 1 573 136 67 ARG H H 8.125 0.004 1 574 136 67 ARG HA H 4.163 0.005 1 575 136 67 ARG HB2 H 1.813 0.005 2 576 136 67 ARG HB3 H 1.813 0.005 2 577 136 67 ARG HD2 H 3.140 0.005 2 578 136 67 ARG HD3 H 3.140 0.005 2 579 136 67 ARG HG2 H 1.610 0.005 2 580 136 67 ARG HG3 H 1.610 0.005 2 581 136 67 ARG C C 177.740 0.005 1 582 136 67 ARG CA C 57.728 0.055 1 583 136 67 ARG CB C 30.537 0.013 1 584 136 67 ARG CD C 43.521 0.060 1 585 136 67 ARG CG C 27.191 0.005 1 586 136 67 ARG N N 122.168 0.035 1 587 137 68 LEU H H 8.271 0.003 1 588 137 68 LEU HA H 4.195 0.005 1 589 137 68 LEU HB2 H 1.545 0.005 2 590 137 68 LEU HB3 H 1.545 0.005 2 591 137 68 LEU HD1 H 0.807 0.005 2 592 137 68 LEU HD2 H 0.832 0.005 2 593 137 68 LEU HG H 1.646 0.005 1 594 137 68 LEU C C 177.877 0.005 1 595 137 68 LEU CA C 56.321 0.033 1 596 137 68 LEU CB C 42.164 0.027 1 597 137 68 LEU CD1 C 23.686 0.029 2 598 137 68 LEU CD2 C 24.824 0.037 2 599 137 68 LEU CG C 26.876 0.005 1 600 137 68 LEU N N 121.119 0.034 1 601 138 69 ALA H H 8.100 0.003 1 602 138 69 ALA HA H 4.168 0.005 1 603 138 69 ALA HB H 1.410 0.006 1 604 138 69 ALA C C 179.439 0.005 1 605 138 69 ALA CA C 53.959 0.051 1 606 138 69 ALA CB C 18.693 0.051 1 607 138 69 ALA N N 122.191 0.043 1 608 139 70 SER H H 8.194 0.010 1 609 139 70 SER HA H 4.169 0.001 1 610 139 70 SER HB2 H 3.920 0.005 2 611 139 70 SER HB3 H 3.872 0.005 2 612 139 70 SER CA C 60.486 0.036 1 613 139 70 SER CB C 63.174 0.036 1 614 139 70 SER N N 113.569 0.030 1 615 140 71 HIS H H 8.098 0.008 1 616 140 71 HIS HA H 4.433 0.005 1 617 140 71 HIS HB2 H 3.135 0.005 2 618 140 71 HIS HB3 H 3.135 0.005 2 619 140 71 HIS HD2 H 6.857 0.001 1 620 140 71 HIS HE1 H 7.682 0.001 1 621 140 71 HIS CA C 58.376 0.005 1 622 140 71 HIS CB C 30.820 0.095 1 623 140 71 HIS CD2 C 119.213 0.074 1 624 140 71 HIS CE1 C 138.805 0.031 1 625 140 71 HIS N N 120.739 0.055 1 626 141 72 LEU H H 7.903 0.005 1 627 141 72 LEU HA H 4.072 0.005 1 628 141 72 LEU HB2 H 1.660 0.005 2 629 141 72 LEU HB3 H 1.470 0.005 2 630 141 72 LEU HD1 H 0.781 0.005 2 631 141 72 LEU HD2 H 0.844 0.005 2 632 141 72 LEU HG H 1.414 0.005 1 633 141 72 LEU C C 178.329 0.005 1 634 141 72 LEU CA C 56.415 0.004 1 635 141 72 LEU CB C 41.852 0.022 1 636 141 72 LEU CD1 C 23.164 0.005 2 637 141 72 LEU CD2 C 25.267 0.005 2 638 141 72 LEU CG C 26.795 0.005 1 639 141 72 LEU N N 119.304 0.005 1 640 142 73 ARG H H 7.914 0.003 1 641 142 73 ARG HA H 4.073 0.005 1 642 142 73 ARG HB2 H 1.798 0.005 2 643 142 73 ARG HB3 H 1.798 0.005 2 644 142 73 ARG HD2 H 3.135 0.005 2 645 142 73 ARG HD3 H 3.135 0.005 2 646 142 73 ARG HG2 H 1.654 0.005 2 647 142 73 ARG HG3 H 1.513 0.005 2 648 142 73 ARG CA C 58.152 0.026 1 649 142 73 ARG CB C 30.636 0.005 1 650 142 73 ARG CD C 43.471 0.009 1 651 142 73 ARG CG C 27.556 0.033 1 652 142 73 ARG N N 118.986 0.006 1 653 143 74 LYS H H 7.902 0.012 1 654 143 74 LYS HA H 4.085 0.005 1 655 143 74 LYS HB2 H 1.743 0.005 2 656 143 74 LYS HB3 H 1.743 0.005 2 657 143 74 LYS HD2 H 1.470 0.005 2 658 143 74 LYS HD3 H 1.387 0.005 2 659 143 74 LYS HE2 H 2.645 0.005 2 660 143 74 LYS HE3 H 2.579 0.005 2 661 143 74 LYS HG2 H 1.368 0.005 2 662 143 74 LYS HG3 H 1.234 0.005 2 663 143 74 LYS C C 177.384 0.005 1 664 143 74 LYS CA C 57.599 0.039 1 665 143 74 LYS CB C 32.611 0.036 1 666 143 74 LYS CD C 29.247 0.047 1 667 143 74 LYS CE C 41.764 0.024 1 668 143 74 LYS CG C 25.069 0.009 1 669 143 74 LYS N N 119.498 0.103 1 670 144 75 LEU H H 7.910 0.003 1 671 144 75 LEU HA H 4.167 0.005 1 672 144 75 LEU HB2 H 1.659 0.005 2 673 144 75 LEU HB3 H 1.627 0.005 2 674 144 75 LEU HD1 H 0.793 0.005 2 675 144 75 LEU HD2 H 0.817 0.005 2 676 144 75 LEU HG H 1.570 0.005 1 677 144 75 LEU C C 177.877 0.005 1 678 144 75 LEU CA C 55.900 0.043 1 679 144 75 LEU CB C 42.437 0.133 1 680 144 75 LEU CD1 C 23.595 0.005 2 681 144 75 LEU CD2 C 25.010 0.005 2 682 144 75 LEU CG C 26.843 0.005 1 683 144 75 LEU N N 120.629 0.049 1 684 145 76 ARG H H 8.048 0.002 1 685 145 76 ARG HA H 4.189 0.005 1 686 145 76 ARG HB2 H 1.815 0.005 2 687 145 76 ARG HB3 H 1.749 0.005 2 688 145 76 ARG HD2 H 3.133 0.005 2 689 145 76 ARG HD3 H 3.133 0.005 2 690 145 76 ARG HG2 H 1.649 0.005 2 691 145 76 ARG HG3 H 1.558 0.005 2 692 145 76 ARG C C 176.604 0.005 1 693 145 76 ARG CA C 56.750 0.054 1 694 145 76 ARG CB C 30.542 0.013 1 695 145 76 ARG CD C 43.497 0.026 1 696 145 76 ARG CG C 27.395 0.027 1 697 145 76 ARG N N 119.612 0.052 1 698 146 77 LYS H H 8.013 0.007 1 699 146 77 LYS HA H 4.185 0.005 1 700 146 77 LYS HB2 H 1.723 0.005 2 701 146 77 LYS HB3 H 1.672 0.005 2 702 146 77 LYS HD2 H 1.485 0.005 2 703 146 77 LYS HD3 H 1.423 0.005 2 704 146 77 LYS HE2 H 2.585 0.005 2 705 146 77 LYS HE3 H 2.494 0.005 2 706 146 77 LYS HG2 H 1.350 0.005 2 707 146 77 LYS HG3 H 1.226 0.005 2 708 146 77 LYS C C 176.412 0.005 1 709 146 77 LYS CA C 56.786 0.043 1 710 146 77 LYS CB C 32.986 0.021 1 711 146 77 LYS CD C 29.157 0.049 1 712 146 77 LYS CE C 41.560 0.072 1 713 146 77 LYS CG C 24.934 0.014 1 714 146 77 LYS N N 120.621 0.038 1 715 147 78 ARG H H 8.109 0.004 1 716 147 78 ARG HA H 4.279 0.005 1 717 147 78 ARG HB2 H 1.830 0.005 2 718 147 78 ARG HB3 H 1.736 0.005 2 719 147 78 ARG HD2 H 3.138 0.005 2 720 147 78 ARG HD3 H 3.138 0.005 2 721 147 78 ARG HG2 H 1.570 0.005 2 722 147 78 ARG HG3 H 1.570 0.005 2 723 147 78 ARG C C 175.919 0.005 1 724 147 78 ARG CA C 56.282 0.040 1 725 147 78 ARG CB C 30.826 0.035 1 726 147 78 ARG CD C 43.493 0.030 1 727 147 78 ARG CG C 27.217 0.019 1 728 147 78 ARG N N 120.554 0.031 1 729 148 79 LEU H H 8.206 0.003 1 730 148 79 LEU HA H 4.327 0.005 1 731 148 79 LEU HB2 H 1.591 0.005 2 732 148 79 LEU HB3 H 1.591 0.005 2 733 148 79 LEU HD1 H 0.811 0.005 2 734 148 79 LEU HD2 H 0.866 0.005 2 735 148 79 LEU HG H 1.539 0.005 1 736 148 79 LEU C C 176.069 0.005 1 737 148 79 LEU CA C 55.193 0.008 1 738 148 79 LEU CB C 42.287 0.028 1 739 148 79 LEU CD1 C 23.419 0.023 2 740 148 79 LEU CD2 C 25.159 0.004 2 741 148 79 LEU CG C 26.840 0.069 1 742 148 79 LEU N N 122.906 0.026 1 743 149 80 LEU H H 7.676 0.002 1 744 149 80 LEU HA H 4.132 0.005 1 745 149 80 LEU HB2 H 1.537 0.005 2 746 149 80 LEU HB3 H 1.537 0.005 2 747 149 80 LEU HD1 H 0.806 0.005 2 748 149 80 LEU HD2 H 0.849 0.005 2 749 149 80 LEU HG H 1.545 0.005 1 750 149 80 LEU CA C 56.679 0.015 1 751 149 80 LEU CB C 43.523 0.010 1 752 149 80 LEU CD1 C 23.802 0.005 2 753 149 80 LEU CD2 C 25.308 0.005 2 754 149 80 LEU CG C 27.257 0.005 1 755 149 80 LEU N N 127.363 0.013 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'These chemical shifts are for isolated apoE130-149 peptide with extra GSY at N terminus' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_5 $sample_4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ApoE _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 1 127 1 GLY HA2 H 3.756 0.005 2 2 127 1 GLY HA3 H 3.756 0.005 2 3 127 1 GLY CA C 44.166 0.005 1 4 128 2 SER HA H 4.502 0.002 1 5 128 2 SER HB2 H 3.883 0.005 2 6 128 2 SER HB3 H 3.836 0.002 2 7 128 2 SER CA C 58.148 0.019 1 8 128 2 SER CB C 64.047 0.009 1 9 129 3 TYR HA H 4.595 0.005 1 10 129 3 TYR HB2 H 3.067 0.005 2 11 129 3 TYR HB3 H 3.067 0.005 2 12 129 3 TYR HD1 H 7.128 0.005 3 13 129 3 TYR HD2 H 7.128 0.005 3 14 129 3 TYR HE1 H 6.819 0.005 3 15 129 3 TYR HE2 H 6.819 0.005 3 16 129 3 TYR C C 176.445 0.014 1 17 129 3 TYR CA C 58.921 0.016 1 18 129 3 TYR CB C 38.682 0.085 1 19 129 3 TYR CD1 C 133.261 0.020 3 20 129 3 TYR CE1 C 118.266 0.020 3 21 130 4 THR H H 7.933 0.002 1 22 130 4 THR HA H 4.129 0.002 1 23 130 4 THR HB H 4.199 0.001 1 24 130 4 THR HG2 H 1.200 0.005 1 25 130 4 THR C C 175.127 0.004 1 26 130 4 THR CA C 62.967 0.018 1 27 130 4 THR CB C 69.604 0.034 1 28 130 4 THR CG2 C 21.807 0.023 1 29 130 4 THR N N 114.360 0.005 1 30 131 5 GLU H H 8.191 0.005 1 31 131 5 GLU HA H 4.173 0.005 1 32 131 5 GLU HB2 H 2.025 0.005 2 33 131 5 GLU HB3 H 2.025 0.005 2 34 131 5 GLU HG2 H 2.282 0.005 2 35 131 5 GLU HG3 H 2.282 0.005 2 36 131 5 GLU C C 177.254 0.002 1 37 131 5 GLU CA C 57.780 0.017 1 38 131 5 GLU CB C 29.937 0.023 1 39 131 5 GLU CG C 36.236 0.028 1 40 131 5 GLU N N 122.429 0.007 1 41 132 6 GLU H H 8.305 0.005 1 42 132 6 GLU HA H 4.123 0.005 1 43 132 6 GLU HB2 H 2.004 0.005 2 44 132 6 GLU HB3 H 2.004 0.005 2 45 132 6 GLU HG2 H 2.305 0.005 2 46 132 6 GLU HG3 H 2.238 0.005 2 47 132 6 GLU C C 177.662 0.023 1 48 132 6 GLU CA C 57.922 0.023 1 49 132 6 GLU CB C 29.726 0.023 1 50 132 6 GLU CG C 36.393 0.023 1 51 132 6 GLU N N 120.275 0.004 1 52 133 7 LEU H H 8.034 0.005 1 53 133 7 LEU HA H 4.145 0.005 1 54 133 7 LEU HB2 H 1.599 0.005 2 55 133 7 LEU HB3 H 1.599 0.005 2 56 133 7 LEU HD1 H 0.843 0.005 2 57 133 7 LEU HD2 H 0.884 0.005 2 58 133 7 LEU C C 178.026 0.026 1 59 133 7 LEU CA C 56.600 0.019 1 60 133 7 LEU CB C 42.011 0.010 1 61 133 7 LEU CD1 C 23.869 0.025 2 62 133 7 LEU CD2 C 24.615 0.013 2 63 133 7 LEU CG C 26.960 0.020 1 64 133 7 LEU N N 121.231 0.022 1 65 134 8 ARG H H 8.066 0.005 1 66 134 8 ARG HA H 4.129 0.005 1 67 134 8 ARG HB2 H 1.875 0.005 2 68 134 8 ARG HB3 H 1.875 0.005 2 69 134 8 ARG HD2 H 3.184 0.005 2 70 134 8 ARG HD3 H 3.184 0.005 2 71 134 8 ARG C C 177.749 0.022 1 72 134 8 ARG CA C 57.940 0.007 1 73 134 8 ARG CB C 30.316 0.041 1 74 134 8 ARG CD C 43.331 0.011 1 75 134 8 ARG CG C 27.376 0.020 1 76 134 8 ARG N N 119.541 0.010 1 77 135 9 VAL H H 7.888 0.005 1 78 135 9 VAL HA H 3.925 0.005 1 79 135 9 VAL HB H 2.107 0.005 1 80 135 9 VAL HG1 H 0.989 0.005 2 81 135 9 VAL HG2 H 0.931 0.005 2 82 135 9 VAL C C 177.245 0.023 1 83 135 9 VAL CA C 64.025 0.029 1 84 135 9 VAL CB C 32.339 0.038 1 85 135 9 VAL CG1 C 21.441 0.020 2 86 135 9 VAL CG2 C 21.153 0.020 2 87 135 9 VAL N N 119.007 0.007 1 88 136 10 ARG H H 8.135 0.005 1 89 136 10 ARG HA H 4.239 0.005 1 90 136 10 ARG HB2 H 1.863 0.005 2 91 136 10 ARG HB3 H 1.863 0.005 2 92 136 10 ARG HD2 H 3.172 0.005 2 93 136 10 ARG HD3 H 3.172 0.005 2 94 136 10 ARG C C 177.527 0.013 1 95 136 10 ARG CA C 57.520 0.053 1 96 136 10 ARG CB C 30.548 0.039 1 97 136 10 ARG CD C 43.555 0.023 1 98 136 10 ARG CG C 27.392 0.020 1 99 136 10 ARG N N 122.489 0.005 1 100 137 11 LEU H H 8.220 0.005 1 101 137 11 LEU HA H 4.267 0.005 1 102 137 11 LEU HB2 H 1.634 0.005 2 103 137 11 LEU HB3 H 1.634 0.005 2 104 137 11 LEU HD1 H 0.851 0.005 2 105 137 11 LEU HD2 H 0.893 0.005 2 106 137 11 LEU C C 177.886 0.021 1 107 137 11 LEU CA C 56.045 0.028 1 108 137 11 LEU CB C 42.197 0.031 1 109 137 11 LEU CD1 C 23.458 0.028 2 110 137 11 LEU CD2 C 24.889 0.023 2 111 137 11 LEU CG C 26.840 0.020 1 112 137 11 LEU N N 121.382 0.021 1 113 138 12 ALA H H 8.101 0.005 1 114 138 12 ALA HA H 4.250 0.005 1 115 138 12 ALA HB H 1.446 0.005 1 116 138 12 ALA CA C 53.698 0.020 1 117 138 12 ALA CB C 18.765 0.020 1 118 138 12 ALA N N 122.649 0.010 1 119 139 13 SER H H 8.205 0.006 1 120 139 13 SER HA H 4.239 0.005 1 121 139 13 SER HB2 H 3.960 0.005 2 122 139 13 SER HB3 H 3.915 0.005 2 123 139 13 SER CA C 60.163 0.032 1 124 139 13 SER CB C 63.225 0.027 1 125 139 13 SER N N 113.685 0.028 1 126 140 14 HIS HA H 4.519 0.005 1 127 140 14 HIS HB2 H 3.172 0.005 2 128 140 14 HIS HB3 H 3.172 0.005 2 129 140 14 HIS HD2 H 6.946 0.005 1 130 140 14 HIS HE1 H 7.732 0.005 1 131 140 14 HIS C C 176.407 0.023 1 132 140 14 HIS CA C 57.918 0.012 1 133 140 14 HIS CB C 30.749 0.103 1 134 140 14 HIS CD2 C 119.230 0.040 1 135 140 14 HIS CE1 C 138.932 0.040 1 136 141 15 LEU H H 7.836 0.005 1 137 141 15 LEU HA H 4.169 0.005 1 138 141 15 LEU HB2 H 1.691 0.005 2 139 141 15 LEU HB3 H 1.532 0.005 2 140 141 15 LEU HD1 H 0.840 0.005 2 141 141 15 LEU HD2 H 0.901 0.005 2 142 141 15 LEU HG H 1.420 0.005 1 143 141 15 LEU C C 178.142 0.023 1 144 141 15 LEU CA C 56.064 0.023 1 145 141 15 LEU CB C 41.916 0.031 1 146 141 15 LEU CD1 C 23.117 0.018 2 147 141 15 LEU CD2 C 25.160 0.032 2 148 141 15 LEU CG C 26.736 0.058 1 149 141 15 LEU N N 119.936 0.005 1 150 142 16 ARG H H 7.927 0.005 1 151 142 16 ARG HA H 4.178 0.005 1 152 142 16 ARG HB2 H 1.852 0.005 2 153 142 16 ARG HB3 H 1.852 0.005 2 154 142 16 ARG C C 177.026 0.012 1 155 142 16 ARG CA C 57.384 0.020 1 156 142 16 ARG CB C 30.504 0.043 1 157 142 16 ARG CD C 43.542 0.020 1 158 142 16 ARG CG C 27.486 0.020 1 159 142 16 ARG N N 119.352 0.004 1 160 143 17 LYS H H 7.968 0.005 1 161 143 17 LYS HA H 4.217 0.005 1 162 143 17 LYS HB2 H 1.838 0.005 2 163 143 17 LYS HB3 H 1.816 0.005 2 164 143 17 LYS HD2 H 1.688 0.005 2 165 143 17 LYS HD3 H 1.688 0.005 2 166 143 17 LYS HE2 H 2.995 0.005 2 167 143 17 LYS HE3 H 2.995 0.005 2 168 143 17 LYS HG2 H 1.493 0.005 2 169 143 17 LYS HG3 H 1.404 0.005 2 170 143 17 LYS C C 177.022 0.026 1 171 143 17 LYS CA C 57.108 0.018 1 172 143 17 LYS CB C 32.739 0.008 1 173 143 17 LYS CD C 29.284 0.005 1 174 143 17 LYS CE C 42.203 0.031 1 175 143 17 LYS CG C 25.009 0.014 1 176 143 17 LYS N N 120.082 0.007 1 177 144 18 LEU H H 7.953 0.002 1 178 144 18 LEU HA H 4.265 0.005 1 179 144 18 LEU HB2 H 1.660 0.005 2 180 144 18 LEU HB3 H 1.573 0.005 2 181 144 18 LEU HD1 H 0.851 0.005 2 182 144 18 LEU HD2 H 0.891 0.005 2 183 144 18 LEU C C 177.558 0.019 1 184 144 18 LEU CA C 55.577 0.010 1 185 144 18 LEU CB C 42.343 0.014 1 186 144 18 LEU CD1 C 23.468 0.023 2 187 144 18 LEU CD2 C 24.952 0.026 2 188 144 18 LEU CG C 26.957 0.020 1 189 144 18 LEU N N 121.330 0.004 1 190 145 19 ARG H H 8.104 0.003 1 191 145 19 ARG HA H 4.275 0.005 1 192 145 19 ARG HB2 H 1.799 0.005 2 193 145 19 ARG HB3 H 1.799 0.005 2 194 145 19 ARG HD2 H 3.212 0.005 2 195 145 19 ARG HD3 H 3.212 0.005 2 196 145 19 ARG C C 176.326 0.020 1 197 145 19 ARG CA C 56.388 0.013 1 198 145 19 ARG CB C 30.666 0.018 1 199 145 19 ARG CD C 43.516 0.014 1 200 145 19 ARG CG C 27.247 0.020 1 201 145 19 ARG N N 120.507 0.014 1 202 146 20 LYS H H 8.131 0.003 1 203 146 20 LYS HA H 4.268 0.005 1 204 146 20 LYS HB2 H 1.825 0.005 2 205 146 20 LYS HB3 H 1.765 0.005 2 206 146 20 LYS HD2 H 1.687 0.005 2 207 146 20 LYS HD3 H 1.687 0.005 2 208 146 20 LYS HE2 H 2.992 0.005 2 209 146 20 LYS HE3 H 2.992 0.005 2 210 146 20 LYS HG2 H 1.459 0.005 2 211 146 20 LYS HG3 H 1.414 0.005 2 212 146 20 LYS C C 176.280 0.015 1 213 146 20 LYS CA C 56.435 0.047 1 214 146 20 LYS CB C 33.102 0.035 1 215 146 20 LYS CD C 29.118 0.008 1 216 146 20 LYS CE C 42.195 0.025 1 217 146 20 LYS CG C 24.845 0.006 1 218 146 20 LYS N N 121.499 0.009 1 219 147 21 ARG H H 8.220 0.003 1 220 147 21 ARG HA H 4.315 0.005 1 221 147 21 ARG HB2 H 1.845 0.005 2 222 147 21 ARG HB3 H 1.782 0.005 2 223 147 21 ARG HD2 H 3.207 0.005 2 224 147 21 ARG HD3 H 3.207 0.005 2 225 147 21 ARG C C 175.855 0.013 1 226 147 21 ARG CA C 56.203 0.027 1 227 147 21 ARG CB C 30.917 0.010 1 228 147 21 ARG CD C 43.517 0.014 1 229 147 21 ARG CG C 27.175 0.020 1 230 147 21 ARG N N 121.496 0.038 1 231 148 22 LEU H H 8.267 0.002 1 232 148 22 LEU HA H 4.364 0.005 1 233 148 22 LEU HB2 H 1.631 0.005 2 234 148 22 LEU HB3 H 1.631 0.005 2 235 148 22 LEU HD1 H 0.861 0.005 2 236 148 22 LEU HD2 H 0.928 0.005 2 237 148 22 LEU C C 176.086 0.011 1 238 148 22 LEU CA C 55.224 0.025 1 239 148 22 LEU CB C 42.226 0.031 1 240 148 22 LEU CD1 C 23.431 0.015 2 241 148 22 LEU CD2 C 25.081 0.014 2 242 148 22 LEU CG C 26.923 0.020 1 243 148 22 LEU N N 123.638 0.006 1 244 149 23 LEU H H 7.697 0.002 1 245 149 23 LEU HA H 4.180 0.005 1 246 149 23 LEU HB2 H 1.577 0.005 2 247 149 23 LEU HB3 H 1.577 0.005 2 248 149 23 LEU HD1 H 0.856 0.005 2 249 149 23 LEU HD2 H 0.900 0.005 2 250 149 23 LEU CA C 56.685 0.012 1 251 149 23 LEU CB C 43.512 0.024 1 252 149 23 LEU CD1 C 23.746 0.020 2 253 149 23 LEU CD2 C 25.234 0.020 2 254 149 23 LEU CG C 27.282 0.020 1 255 149 23 LEU N N 127.626 0.007 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name CR17 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LEU N 875.4 51.5 2 6 GLY N 809.7 164 3 7 LYS N 703.5 62 4 13 SER N 808.4 25.8 5 14 PHE N 788.2 25.2 6 15 SER N 786.5 22.9 7 16 CYS N 828.5 48.2 8 19 THR N 776.2 43.2 9 21 VAL N 701.9 57.8 10 22 CYS N 913.3 121 11 23 VAL N 876 54.4 12 25 GLU N 821.5 19 13 26 ARG N 761.3 30.6 14 27 TRP N 850.5 17 15 28 LEU N 727.5 17.9 16 29 CYS N 802 15.8 17 30 ASP N 816.4 15.6 18 31 GLY N 801.6 5.61 19 32 ASP N 812.3 11.2 20 34 ASP N 857.8 6.64 21 35 CYS N 895.9 30.7 22 37 ASP N 811.5 14.3 23 38 GLY N 829 17.1 24 39 ALA N 741.6 16.9 25 40 ASP N 774.2 18.1 26 41 GLU N 807.5 42.3 27 42 SER N 902.4 36.1 28 43 ILE N 813.1 61.7 29 44 ALA N 722.9 32.2 30 45 ALA N 842.6 12.6 31 46 GLY N 756.2 4.18 32 47 CYS N 801.4 24.8 33 48 LEU N 766.9 12.1 34 49 TYR N 793.8 43 35 62 GLU N 734.3 24.3 36 63 GLU N 719.2 20.8 37 64 LEU N 691.3 15.8 38 65 ARG N 728.3 55.6 39 66 VAL N 704.1 18.8 40 67 ARG N 716.5 15.3 41 68 LEU N 773.8 16.9 42 72 LEU N 721.5 13.4 43 74 LYS N 762.8 49.8 44 75 LEU N 749.9 30.9 45 79 LEU N 787.6 27.1 46 80 LEU N 890.7 14.7 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units ms _Mol_system_component_name CR17 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LEU N 136.6 7.27 . . 2 6 GLY N 143.1 15.2 . . 3 7 LYS N 69.65 13 . . 4 13 SER N 49.46 0.737 . . 5 14 PHE N 45.96 1.5 . . 6 15 SER N 43 0.885 . . 7 16 CYS N 38.84 0.719 . . 8 19 THR N 45.79 1.94 . . 9 23 VAL N 33.02 2.43 . . 10 25 GLU N 43.6 2.17 . . 11 26 ARG N 34.62 1.13 . . 12 27 TRP N 39.7 1.3 . . 13 28 LEU N 39.34 0.846 . . 14 29 CYS N 36.5 1.14 . . 15 30 ASP N 41.53 1.72 . . 16 31 GLY N 44.19 1.01 . . 17 32 ASP N 42.73 0.98 . . 18 34 ASP N 44.38 1.98 . . 19 35 CYS N 40.49 1.08 . . 20 37 ASP N 48.17 1.58 . . 21 38 GLY N 44.89 1.44 . . 22 39 ALA N 43.43 0.374 . . 23 40 ASP N 45.61 1.73 . . 24 41 GLU N 46.17 0.761 . . 25 42 SER N 44.21 0.87 . . 26 43 ILE N 42.46 0.86 . . 27 44 ALA N 46.82 1.28 . . 28 45 ALA N 43.24 0.727 . . 29 46 GLY N 41.44 0.796 . . 30 47 CYS N 39.92 1.29 . . 31 48 LEU N 55.98 1.03 . . 32 49 TYR N 59.33 1.24 . . 33 62 GLU N 81.9 2.02 . . 34 63 GLU N 65.03 1.98 . . 35 64 LEU N 57.82 1.25 . . 36 65 ARG N 52.81 1.91 . . 37 66 VAL N 55.31 1.22 . . 38 67 ARG N 54.59 1.17 . . 39 68 LEU N 132.2 9.04 . . 40 72 LEU N 50.06 1.95 . . 41 74 LYS N 55.01 1.2 . . 42 75 LEU N 45.59 1.06 . . 43 79 LEU N 57.52 2.6 . . 44 80 LEU N 128.4 2.19 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name CR17 _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LEU -0.197 0.003 6 GLY 0.144 0.040 7 LYS 0.230 0.097 13 SER 0.586 0.003 14 PHE 0.769 0.017 15 SER 0.783 0.018 16 CYS 0.741 0.008 19 THR 0.708 0.011 21 VAL 0.755 0.098 22 CYS 0.777 0.002 23 VAL 0.732 0.052 25 GLU 0.745 0.069 26 ARG 0.768 0.011 27 TRP 0.779 0.002 28 LEU 0.774 0.007 29 CYS 0.726 0.026 30 ASP 0.738 0.012 31 GLY 0.745 0.027 32 ASP 0.748 0.011 34 ASP 0.724 0.007 35 CYS 0.724 0.014 37 ASP 0.732 0.009 38 GLY 0.750 0.000 39 ALA 0.747 0.006 40 ASP 0.751 0.008 41 GLU 0.732 0.003 42 SER 0.691 0.000 43 ILE 0.607 0.036 44 ALA 0.712 0.012 45 ALA 0.701 0.029 46 GLY 0.687 0.024 47 CYS 0.717 0.004 48 LEU 0.459 0.001 49 TYR 0.459 0.014 62 GLU 0.354 0.023 63 GLU 0.402 0.001 64 LEU 0.436 0.002 65 ARG 0.469 0.033 66 VAL 0.496 0.006 67 ARG 0.511 0.004 72 LEU 0.535 0.047 73 ARG 0.545 0.036 74 LYS 0.526 0.071 75 LEU 0.506 0.045 77 LYS 0.478 0.068 79 LEU 0.166 0.009 80 LEU -0.339 0.019 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details 'These values are for isolated apoE(130-149) with extra GSY at N terminus' loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name ApoE _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 THR -0.049 0.003 5 GLU 0.051 0.008 6 GLU 0.163 0.003 7 LEU 0.216 0.003 8 ARG 0.215 0.003 9 VAL 0.312 0.003 10 ARG 0.263 0.002 11 LEU 0.274 0.005 15 LEU 0.309 0.004 16 ARG 0.237 0.006 17 LYS 0.226 0.015 18 LEU 0.180 0.001 19 ARG 0.076 0.017 22 LEU -0.607 0.009 23 LEU -0.998 0.017 stop_ save_