data_6143 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N assignments for human apolipoprotein C-II in DPC micelles ; _BMRB_accession_number 6143 _BMRB_flat_file_name bmr6143.str _Entry_type original _Submission_date 2004-03-14 _Accession_date 2004-03-17 _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 MacRaild Christopher A. . 2 Howlett Geoffrey J. . 3 Gooley Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 225 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-14 original author . stop_ _Original_release_date 2005-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Structure and Interactions of Human Apolipoprotein C-II in Dodecyl Phosphocholine' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15209504 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 MacRaild Christopher A. . 2 Howlett Geoffrey J. . 3 Gooley Paul R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8084 _Page_last 8093 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_apolipoprotein _Saveframe_category molecular_system _Mol_system_name 'apolipoprotein C-II' _Abbreviation_common 'apolipoprotein C-II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apolipoprotein C-II' $apolipoprotein_C-II stop_ _System_molecular_weight 8916 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apolipoprotein_C-II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apoC-II _Abbreviation_common apoC-II _Molecular_mass 8916 _Mol_thiol_state 'not present' loop_ _Biological_function 'blood lipid transport and metabolism' 'lipoprotien lipase cofactor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; TQQPQQDEMPSPTFLTQVKE SLSSYWESAKTAAQNLYEKT YLPAVDEKLRDLYSKSTAAM STYTGIFTDQVLSVLKGEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 2 GLN 3 3 GLN 4 4 PRO 5 5 GLN 6 6 GLN 7 7 ASP 8 8 GLU 9 9 MET 10 10 PRO 11 11 SER 12 12 PRO 13 13 THR 14 14 PHE 15 15 LEU 16 16 THR 17 17 GLN 18 18 VAL 19 19 LYS 20 20 GLU 21 21 SER 22 22 LEU 23 23 SER 24 24 SER 25 25 TYR 26 26 TRP 27 27 GLU 28 28 SER 29 29 ALA 30 30 LYS 31 31 THR 32 32 ALA 33 33 ALA 34 34 GLN 35 35 ASN 36 36 LEU 37 37 TYR 38 38 GLU 39 39 LYS 40 40 THR 41 41 TYR 42 42 LEU 43 43 PRO 44 44 ALA 45 45 VAL 46 46 ASP 47 47 GLU 48 48 LYS 49 49 LEU 50 50 ARG 51 51 ASP 52 52 LEU 53 53 TYR 54 54 SER 55 55 LYS 56 56 SER 57 57 THR 58 58 ALA 59 59 ALA 60 60 MET 61 61 SER 62 62 THR 63 63 TYR 64 64 THR 65 65 GLY 66 66 ILE 67 67 PHE 68 68 THR 69 69 ASP 70 70 GLN 71 71 VAL 72 72 LEU 73 73 SER 74 74 VAL 75 75 LEU 76 76 LYS 77 77 GLY 78 78 GLU 79 79 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5534 ApoCII 100.00 79 100.00 100.00 1.82e-48 PDB 1I5J "Nmr Structure Of Human Apolipoprotein C-Ii In The Presence Of Sds" 100.00 79 100.00 100.00 1.82e-48 PDB 1O8T "Global Structure And Dynamics Of Human Apolipoprotein Cii In Complex With Micelles: Evidence For Increased Mobility Of The Heli" 100.00 79 100.00 100.00 1.82e-48 PDB 1SOH "The Structure Of Human Apolipoprotein C-Ii In Dodecyl Phosphocholine" 100.00 79 100.00 100.00 1.82e-48 EMBL CAA25234 "apoCII protein [Homo sapiens]" 100.00 101 100.00 100.00 2.73e-48 EMBL CAA28798 "unnamed protein product [Homo sapiens]" 100.00 101 100.00 100.00 2.73e-48 GB AAA51743 "apolipoprotein C-II, partial [Homo sapiens]" 100.00 91 100.00 100.00 2.27e-48 GB AAA98743 "apolipoprotein CII [Homo sapiens]" 78.48 84 100.00 100.00 5.45e-35 GB AAB21042 "apolipoprotein CII, apoCII [human, Peptide, 79 aa]" 100.00 79 100.00 100.00 1.82e-48 GB AAB59380 "apolipoprotein C-II [Homo sapiens]" 100.00 101 100.00 100.00 2.73e-48 GB AAH05348 "Apolipoprotein C-II [Homo sapiens]" 100.00 101 98.73 98.73 2.11e-47 PRF 1303321A "apolipoprotein CII" 100.00 91 100.00 100.00 2.27e-48 REF NP_000474 "apolipoprotein C-II precursor [Homo sapiens]" 100.00 101 100.00 100.00 2.73e-48 REF NP_001230828 "apolipoprotein C-II precursor [Pan troglodytes]" 100.00 101 98.73 98.73 3.75e-47 REF XP_008969010 "PREDICTED: apolipoprotein C-II [Pan paniscus]" 100.00 101 98.73 98.73 3.75e-47 SP P02655 "RecName: Full=Apolipoprotein C-II; Short=Apo-CII; Short=ApoC-II; AltName: Full=Apolipoprotein C2; Contains: RecName: Full=Proap" 100.00 101 100.00 100.00 2.73e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apolipoprotein_C-II 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 $apolipoprotein_C-II 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apolipoprotein_C-II 1.8 mM [U-15N] DPC 85 mM . 'sodium acetate' 20 mM . 'sodium azide' 0.1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC _Sample_label $sample_1 save_ save_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label $sample_1 save_ save_1H-15C_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15C TOCSY' _Sample_label $sample_1 save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNHB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 pH temperature 308 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'apolipoprotein C-II' _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 13 13 THR H H 8.272 0.003 1 2 13 13 THR N N 113.482 0.002 1 3 13 13 THR HA H 4.447 0.002 1 4 13 13 THR HB H 4.638 0.011 1 5 13 13 THR HG2 H 1.374 0.013 1 6 14 14 PHE H H 8.859 0.003 1 7 14 14 PHE N N 123.438 0.002 1 8 14 14 PHE HA H 4.488 0.008 1 9 14 14 PHE HB2 H 3.170 0.002 2 10 15 15 LEU H H 8.501 0.002 1 11 15 15 LEU N N 118.271 0.002 1 12 15 15 LEU HA H 3.922 0.002 1 13 15 15 LEU HB2 H 1.641 0.006 2 14 15 15 LEU HD1 H 1.015 0.005 1 15 15 15 LEU HG H 1.831 0.006 1 16 16 16 THR H H 7.828 0.003 1 17 16 16 THR N N 115.759 0.002 1 18 16 16 THR HA H 3.907 0.010 1 19 16 16 THR HB H 4.357 0.009 1 20 16 16 THR HG2 H 1.329 0.001 1 21 17 17 GLN H H 7.996 0.001 1 22 17 17 GLN N N 121.322 0.001 1 23 17 17 GLN HA H 4.173 0.003 1 24 17 17 GLN HB2 H 2.149 0.002 2 25 18 18 VAL H H 8.243 0.001 1 26 18 18 VAL N N 120.709 0.004 1 27 18 18 VAL HA H 3.590 0.007 1 28 18 18 VAL HB H 2.126 0.020 1 29 18 18 VAL HG1 H 0.719 0.009 2 30 18 18 VAL HG2 H 0.895 0.011 2 31 19 19 LYS H H 8.240 0.002 1 32 19 19 LYS N N 119.943 0.002 1 33 19 19 LYS HA H 3.826 0.006 1 34 19 19 LYS HB2 H 1.982 0.008 2 35 20 20 GLU H H 8.339 0.003 1 36 20 20 GLU N N 118.180 0.005 1 37 20 20 GLU HA H 4.171 0.002 1 38 20 20 GLU HB2 H 2.205 0.009 2 39 20 20 GLU HG2 H 2.591 0.001 2 40 21 21 SER H H 8.233 0.002 1 41 21 21 SER N N 116.687 0.002 1 42 21 21 SER HA H 4.449 0.002 1 43 21 21 SER HB2 H 3.960 0.008 2 44 21 21 SER HB3 H 4.104 0.013 2 45 22 22 LEU H H 8.370 0.001 1 46 22 22 LEU N N 120.693 0.002 1 47 22 22 LEU HA H 4.394 0.014 1 48 22 22 LEU HB2 H 1.678 0.002 2 49 22 22 LEU HD1 H 0.941 0.003 2 50 22 22 LEU HG H 1.973 0.003 1 51 23 23 SER H H 8.260 0.002 1 52 23 23 SER N N 113.863 0.002 1 53 23 23 SER HA H 4.284 0.009 1 54 23 23 SER HB2 H 4.148 0.005 2 55 24 24 SER H H 8.145 0.002 1 56 24 24 SER N N 116.649 0.002 1 57 24 24 SER HA H 4.403 0.007 1 58 24 24 SER HB2 H 3.944 0.003 2 59 25 25 TYR H H 8.136 0.001 1 60 25 25 TYR N N 120.926 0.002 1 61 25 25 TYR HA H 4.539 0.009 1 62 25 25 TYR HB2 H 3.184 0.016 2 63 26 26 TRP H H 8.391 0.003 1 64 26 26 TRP N N 121.409 0.002 1 65 26 26 TRP HA H 4.678 0.002 1 66 26 26 TRP HB2 H 2.739 0.002 2 67 27 27 GLU H H 8.498 0.002 1 68 27 27 GLU N N 116.882 0.001 1 69 27 27 GLU HA H 3.862 0.007 1 70 27 27 GLU HB2 H 2.204 0.002 2 71 28 28 SER H H 8.113 0.001 1 72 28 28 SER N N 115.857 0.002 1 73 28 28 SER HA H 4.296 0.022 1 74 28 28 SER HB2 H 4.003 0.002 2 75 28 28 SER HB3 H 4.097 0.002 2 76 29 29 ALA H H 8.539 0.003 1 77 29 29 ALA N N 111.068 0.002 1 78 29 29 ALA HA H 4.057 0.021 1 79 29 29 ALA HB H 1.495 0.014 1 80 30 30 LYS H H 8.202 0.006 1 81 30 30 LYS N N 117.620 0.002 1 82 30 30 LYS HA H 3.590 0.006 1 83 30 30 LYS HB2 H 1.420 0.002 2 84 31 31 THR H H 7.864 0.007 1 85 31 31 THR N N 115.548 0.002 1 86 31 31 THR HA H 3.976 0.002 1 87 31 31 THR HG2 H 1.314 0.006 1 88 32 32 ALA H H 8.078 0.002 1 89 32 32 ALA N N 124.564 0.002 1 90 32 32 ALA HA H 4.254 0.007 1 91 32 32 ALA HB H 1.561 0.002 1 92 33 33 ALA H H 8.495 0.011 1 93 33 33 ALA N N 120.094 0.001 1 94 33 33 ALA HA H 4.049 0.004 1 95 33 33 ALA HB H 1.536 0.018 1 96 34 34 GLN H H 8.157 0.001 1 97 34 34 GLN N N 117.041 0.002 1 98 34 34 GLN HA H 4.006 0.005 1 99 34 34 GLN HB2 H 2.250 0.020 2 100 34 34 GLN HG2 H 2.554 0.004 2 101 35 35 ASN H H 8.154 0.001 1 102 35 35 ASN N N 117.556 0.003 1 103 35 35 ASN HA H 4.587 0.006 1 104 35 35 ASN HB2 H 2.868 0.002 2 105 35 35 ASN HB3 H 2.994 0.003 2 106 36 36 LEU H H 8.146 0.001 1 107 36 36 LEU N N 120.139 0.005 1 108 36 36 LEU HA H 4.209 0.002 1 109 36 36 LEU HB2 H 1.703 0.008 2 110 36 36 LEU HD1 H 0.958 0.003 1 111 36 36 LEU HG H 1.897 0.007 1 112 37 37 TYR H H 8.403 0.004 1 113 37 37 TYR N N 119.843 0.003 1 114 37 37 TYR HA H 4.226 0.007 1 115 37 37 TYR HB2 H 3.275 0.011 2 116 38 38 GLU H H 8.082 0.003 1 117 38 38 GLU N N 116.779 0.002 1 118 38 38 GLU HA H 4.080 0.018 1 119 38 38 GLU HB2 H 2.199 0.019 2 120 39 39 LYS H H 7.841 0.004 1 121 39 39 LYS N N 117.137 0.002 1 122 39 39 LYS HA H 4.376 0.007 1 123 39 39 LYS HB2 H 1.981 0.007 2 124 40 40 THR H H 7.679 0.003 1 125 40 40 THR N N 113.116 0.003 1 126 40 40 THR HA H 4.209 0.006 1 127 40 40 THR HG2 H 1.180 0.001 1 128 41 41 TYR H H 7.930 0.002 1 129 41 41 TYR N N 121.410 0.002 1 130 41 41 TYR HA H 4.640 0.006 1 131 41 41 TYR HB2 H 2.991 0.002 2 132 41 41 TYR HB3 H 3.118 0.013 2 133 42 42 LEU H H 8.242 0.002 1 134 42 42 LEU N N 124.029 0.002 1 135 42 42 LEU HA H 4.470 0.003 1 136 44 44 ALA H H 7.984 0.002 1 137 44 44 ALA N N 119.259 0.002 1 138 44 44 ALA HA H 4.373 0.005 1 139 44 44 ALA HB H 1.576 0.006 1 140 45 45 VAL H H 7.819 0.003 1 141 45 45 VAL N N 118.558 0.002 1 142 45 45 VAL HA H 3.812 0.003 1 143 45 45 VAL HB H 2.358 0.002 1 144 45 45 VAL HG1 H 1.086 0.002 2 145 45 45 VAL HG2 H 0.991 0.013 2 146 46 46 ASP H H 8.289 0.003 1 147 46 46 ASP N N 118.951 0.003 1 148 46 46 ASP HA H 4.040 0.001 1 149 46 46 ASP HB2 H 2.000 0.007 2 150 47 47 GLU H H 8.240 0.001 1 151 47 47 GLU N N 118.293 0.002 1 152 47 47 GLU HA H 4.039 0.006 1 153 47 47 GLU HB2 H 2.180 0.010 2 154 48 48 LYS H H 7.853 0.004 1 155 48 48 LYS N N 119.393 0.002 1 156 48 48 LYS HA H 4.325 0.006 1 157 48 48 LYS HB2 H 2.040 0.002 2 158 49 49 LEU H H 8.452 0.004 1 159 49 49 LEU N N 119.577 0.002 1 160 49 49 LEU HA H 4.159 0.005 1 161 50 50 ARG H H 8.328 0.004 1 162 50 50 ARG N N 122.389 0.002 1 163 50 50 ARG HA H 4.821 0.002 1 164 50 50 ARG HB2 H 2.084 0.002 2 165 50 50 ARG HG2 H 2.686 0.002 2 166 50 50 ARG HD2 H 4.692 0.002 2 167 51 51 ASP H H 8.180 0.004 1 168 51 51 ASP N N 120.996 0.002 1 169 51 51 ASP HA H 4.569 0.004 1 170 51 51 ASP HB2 H 2.911 0.003 2 171 52 52 LEU H H 8.335 0.002 1 172 52 52 LEU N N 120.293 0.002 1 173 52 52 LEU HA H 4.157 0.002 1 174 52 52 LEU HB2 H 1.715 0.010 2 175 53 53 TYR H H 8.711 0.002 1 176 53 53 TYR N N 120.792 0.002 1 177 53 53 TYR HA H 4.201 0.002 1 178 53 53 TYR HB2 H 3.177 0.003 2 179 53 53 TYR HB3 H 3.316 0.002 2 180 54 54 SER H H 8.416 0.001 1 181 54 54 SER N N 115.895 0.001 1 182 54 54 SER HA H 4.158 0.010 1 183 55 55 LYS H H 8.122 0.005 1 184 55 55 LYS N N 120.647 0.007 1 185 55 55 LYS HA H 4.334 0.002 1 186 55 55 LYS HB2 H 1.977 0.008 2 187 56 56 SER H H 8.090 0.002 1 188 56 56 SER N N 115.976 0.006 1 189 56 56 SER HA H 4.358 0.004 1 190 56 56 SER HB2 H 3.958 0.012 2 191 57 57 THR H H 8.027 0.002 1 192 57 57 THR N N 114.613 0.002 1 193 57 57 THR HA H 4.093 0.003 1 194 57 57 THR HB H 4.258 0.002 1 195 57 57 THR HG2 H 1.141 0.012 1 196 58 58 ALA H H 7.975 0.002 1 197 58 58 ALA N N 124.988 0.001 1 198 58 58 ALA HA H 4.273 0.008 1 199 58 58 ALA HB H 1.531 0.002 1 200 59 59 ALA H H 8.024 0.003 1 201 59 59 ALA N N 120.990 0.001 1 202 59 59 ALA HA H 4.365 0.002 1 203 59 59 ALA HB H 1.565 0.006 1 204 60 60 MET H H 8.211 0.002 1 205 60 60 MET N N 116.928 0.002 1 206 60 60 MET HA H 4.413 0.002 1 207 60 60 MET HB2 H 2.234 0.005 2 208 61 61 SER H H 8.159 0.003 1 209 61 61 SER N N 114.638 0.001 1 210 61 61 SER HA H 4.409 0.007 1 211 61 61 SER HB2 H 4.069 0.010 2 212 62 62 THR H H 7.899 0.002 1 213 62 62 THR N N 115.716 0.002 1 214 62 62 THR HA H 4.217 0.001 1 215 62 62 THR HB H 4.145 0.001 1 216 62 62 THR HG2 H 1.087 0.002 1 217 63 63 TYR H H 8.026 0.003 1 218 63 63 TYR N N 120.517 0.002 1 219 63 63 TYR HA H 4.609 0.005 1 220 63 63 TYR HB2 H 3.048 0.002 2 221 63 63 TYR HB3 H 3.246 0.004 2 222 64 64 THR H H 8.067 0.004 1 223 64 64 THR N N 112.674 0.002 1 224 64 64 THR HA H 4.191 0.008 1 225 64 64 THR HB H 4.384 0.002 1 226 64 64 THR HG2 H 1.341 0.013 1 227 65 65 GLY H H 8.257 0.002 1 228 65 65 GLY N N 110.910 0.002 1 229 65 65 GLY HA2 H 4.033 0.009 2 230 66 66 ILE H H 7.794 0.004 1 231 66 66 ILE N N 119.815 0.008 1 232 66 66 ILE HA H 4.145 0.012 1 233 67 67 PHE H H 8.240 0.002 1 234 67 67 PHE N N 120.212 0.002 1 235 67 67 PHE HA H 4.531 0.007 1 236 67 67 PHE HB2 H 3.256 0.006 2 237 68 68 THR H H 8.226 0.002 1 238 68 68 THR N N 113.498 0.002 1 239 68 68 THR HA H 4.011 0.010 1 240 68 68 THR HB H 4.459 0.002 1 241 68 68 THR HG2 H 1.345 0.012 1 242 69 69 ASP H H 8.439 0.005 1 243 69 69 ASP N N 120.550 0.002 1 244 69 69 ASP HA H 4.485 0.005 1 245 69 69 ASP HB2 H 2.838 0.028 2 246 70 70 GLN H H 8.205 0.002 1 247 70 70 GLN N N 119.048 0.002 1 248 70 70 GLN HA H 4.225 0.009 1 249 70 70 GLN HB2 H 2.215 0.002 2 250 70 70 GLN HG2 H 2.480 0.005 2 251 71 71 VAL H H 7.948 0.003 1 252 71 71 VAL N N 119.577 0.002 1 253 71 71 VAL HA H 3.678 0.010 1 254 71 71 VAL HB H 2.180 0.009 1 255 71 71 VAL HG1 H 0.939 0.014 1 256 72 72 LEU H H 8.297 0.003 1 257 72 72 LEU N N 118.651 0.002 1 258 72 72 LEU HA H 4.060 0.002 1 259 72 72 LEU HB2 H 1.640 0.014 2 260 73 73 SER H H 7.964 0.003 1 261 73 73 SER N N 113.886 0.001 1 262 73 73 SER HA H 4.226 0.001 1 263 73 73 SER HB2 H 4.060 0.005 2 264 74 74 VAL H H 7.635 0.003 1 265 74 74 VAL N N 120.878 0.002 1 266 74 74 VAL HA H 3.985 0.002 1 267 74 74 VAL HB H 2.329 0.003 1 268 74 74 VAL HG1 H 1.165 0.002 2 269 74 74 VAL HG2 H 1.039 0.008 2 270 75 75 LEU H H 7.921 0.002 1 271 75 75 LEU N N 119.352 0.002 1 272 75 75 LEU HA H 4.172 0.002 1 273 76 76 LYS H H 7.996 0.002 1 274 76 76 LYS N N 116.770 0.003 1 275 76 76 LYS HA H 4.222 0.016 1 276 76 76 LYS HB2 H 1.939 0.011 2 277 77 77 GLY H H 7.975 0.002 1 278 77 77 GLY N N 122.540 0.002 1 279 77 77 GLY HA2 H 4.057 0.002 2 280 78 78 GLU H H 8.114 0.003 1 281 78 78 GLU N N 119.518 0.004 1 282 78 78 GLU HA H 4.445 0.002 1 283 78 78 GLU HB2 H 2.024 0.002 2 284 78 78 GLU HB3 H 2.251 0.012 2 285 78 78 GLU HG2 H 2.422 0.002 2 286 79 79 GLU H H 7.870 0.002 1 287 79 79 GLU N N 124.695 0.002 1 288 79 79 GLU HA H 4.215 0.002 1 289 79 79 GLU HB2 H 2.006 0.002 2 290 79 79 GLU HB3 H 2.145 0.002 2 291 79 79 GLU HG2 H 2.405 0.002 2 stop_ save_