data_18731 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state NMR sequential assignments of the C-terminal oligomerization domain of human C4b-binding protein ; _BMRB_accession_number 18731 _BMRB_flat_file_name bmr18731.str _Entry_type original _Submission_date 2012-09-21 _Accession_date 2012-09-21 _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 Luckgei Nina . . 2 Habenstein Birgit . . 3 Ravotti Francesco . . 4 Megy Simon . . 5 Penin Francois . . 6 Marchand Jean-Baptiste . . 7 Hill Fergal . . 8 Boeckmann Anja . . 9 Meier Beat H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 187 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 original author . stop_ _Original_release_date 2013-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-state NMR sequential assignments of the C-terminal oligomerization domain of human C4b-binding protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23138856 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luckgei Nina . . 2 Habenstein Birgit . . 3 Ravotti Francesco . . 4 Megy Simon . . 5 Penin Francois . . 6 Marchand Jean-Baptiste . . 7 Hill Fergal . . 8 Bockmann Anja . . 9 Meier Beat H. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . loop_ _Keyword assignments 'C4b-binding protein' 'secondary structure' 'solid-state NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name IMX77 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IMX77 $IMX77 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_IMX77 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IMX77 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; ASMNHKGSETPEGCEQVLTG KRLMQCLPNPEDVKMALEVY KLSLEIEQLELQRDSARQST LDKEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 ALA 2 -7 SER 3 -6 MET 4 -5 ASN 5 -4 HIS 6 -3 LYS 7 -2 GLY 8 -1 SER 9 1 GLU 10 2 THR 11 3 PRO 12 4 GLU 13 5 GLY 14 6 CYS 15 7 GLU 16 8 GLN 17 9 VAL 18 10 LEU 19 11 THR 20 12 GLY 21 13 LYS 22 14 ARG 23 15 LEU 24 16 MET 25 17 GLN 26 18 CYS 27 19 LEU 28 20 PRO 29 21 ASN 30 22 PRO 31 23 GLU 32 24 ASP 33 25 VAL 34 26 LYS 35 27 MET 36 28 ALA 37 29 LEU 38 30 GLU 39 31 VAL 40 32 TYR 41 33 LYS 42 34 LEU 43 35 SER 44 36 LEU 45 37 GLU 46 38 ILE 47 39 GLU 48 40 GLN 49 41 LEU 50 42 GLU 51 43 LEU 52 44 GLN 53 45 ARG 54 46 ASP 55 47 SER 56 48 ALA 57 49 ARG 58 50 GLN 59 51 SER 60 52 THR 61 53 LEU 62 54 ASP 63 55 LYS 64 56 GLU 65 57 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 DBJ BAG35982 "unnamed protein product [Homo sapiens]" 87.69 597 100.00 100.00 7.29e-29 DBJ BAG64750 "unnamed protein product [Homo sapiens]" 87.69 536 100.00 100.00 7.49e-29 DBJ BAG64753 "unnamed protein product [Homo sapiens]" 87.69 561 100.00 100.00 9.09e-29 DBJ BAJ20441 "complement component 4 binding protein, alpha [synthetic construct]" 87.69 597 100.00 100.00 7.29e-29 EMBL CAA26617 "unnamed protein product [Homo sapiens]" 87.69 518 100.00 100.00 6.11e-29 GB AAA36506 "C4b-binding protein alpha chain [Homo sapiens]" 87.69 597 100.00 100.00 7.29e-29 GB AAA36507 "C4b-binding protein alpha chain [Homo sapiens]" 87.69 597 100.00 100.00 7.29e-29 GB AAH22312 "Complement component 4 binding protein, alpha [Homo sapiens]" 87.69 597 100.00 100.00 7.29e-29 GB ABM82947 "complement component 4 binding protein, alpha [synthetic construct]" 87.69 597 100.00 100.00 7.29e-29 GB ABM86139 "complement component 4 binding protein, alpha [synthetic construct]" 87.69 597 100.00 100.00 7.29e-29 REF NP_000706 "C4b-binding protein alpha chain precursor [Homo sapiens]" 87.69 597 100.00 100.00 7.29e-29 REF XP_002809571 "PREDICTED: C4b-binding protein alpha chain [Pongo abelii]" 87.69 597 98.25 100.00 3.17e-28 REF XP_002832590 "PREDICTED: C4b-binding protein alpha chain-like [Pongo abelii]" 87.69 104 100.00 100.00 1.45e-30 REF XP_003822948 "PREDICTED: C4b-binding protein alpha chain isoform X1 [Pan paniscus]" 87.69 597 100.00 100.00 1.07e-28 REF XP_004028360 "PREDICTED: C4b-binding protein alpha chain-like [Gorilla gorilla gorilla]" 87.69 599 98.25 98.25 4.45e-28 SP P04003 "RecName: Full=C4b-binding protein alpha chain; Short=C4bp; AltName: Full=Proline-rich protein; Short=PRP; Flags: Precursor" 87.69 597 100.00 100.00 7.29e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IMX77 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 $IMX77 'recombinant technology' . Escherichia coli C41(DE3) pRset stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_IMX77 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IMX77 10 mg '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' ethanol 20 % 'natural abundance' MPD 15 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMR-STAR _Saveframe_category software _Name NMR-STAR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name DARR _Sample_label $sample_IMX77 save_ save_NCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name NCACB _Sample_label $sample_IMX77 save_ save_NCACX_3 _Saveframe_category NMR_applied_experiment _Experiment_name NCACX _Sample_label $sample_IMX77 save_ save_CANCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name CANCO _Sample_label $sample_IMX77 save_ save_NCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name NCOCA _Sample_label $sample_IMX77 save_ save_NCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name NCO _Sample_label $sample_IMX77 save_ save_NCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name NCA _Sample_label $sample_IMX77 save_ save_CCC_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCC _Sample_label $sample_IMX77 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 . M pH 7.2 . pH pressure 1 . atm temperature 263 . 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 MPD C 13 protons ppm 4.1 internal indirect . . . 0.251449530 MPD H 1 protons ppm 4.1 internal direct . . . 1 MPD N 15 protons ppm 4.1 internal 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 DARR NCACB NCACX CANCO NCOCA NCO NCA CCC stop_ loop_ _Sample_label $sample_IMX77 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IMX77 _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 3 11 PRO CA C 64.820 0.119 1 2 3 11 PRO CB C 32.836 0.101 1 3 3 11 PRO CG C 27.372 0.003 1 4 3 11 PRO CD C 51.180 0.082 1 5 3 11 PRO N N 139.035 0.102 1 6 8 16 GLN CA C 57.967 0.011 1 7 9 17 VAL C C 177.686 0.095 1 8 9 17 VAL CA C 65.271 0.133 1 9 9 17 VAL CB C 31.342 0.07 1 10 9 17 VAL CG1 C 22.580 0.05 2 11 9 17 VAL CG2 C 23.833 0.078 2 12 9 17 VAL N N 116.406 0.323 1 13 10 18 LEU C C 177.891 0.04 1 14 10 18 LEU CA C 57.668 0.114 1 15 10 18 LEU CB C 41.043 0.188 1 16 10 18 LEU CG C 27.215 0.19 1 17 10 18 LEU CD2 C 22.888 0.146 1 18 10 18 LEU N N 119.042 0.427 1 19 11 19 THR C C 176.966 0.103 1 20 11 19 THR CA C 67.132 0.154 1 21 11 19 THR CB C 68.405 0.126 1 22 11 19 THR CG2 C 21.586 0.08 1 23 11 19 THR N N 116.639 0.437 1 24 12 20 GLY C C 174.968 0.072 1 25 12 20 GLY CA C 48.367 0.119 1 26 12 20 GLY N N 107.496 0.193 1 27 13 21 LYS C C 178.423 0.078 1 28 13 21 LYS CA C 56.075 0.123 1 29 13 21 LYS CB C 32.950 0.089 1 30 13 21 LYS CG C 26.292 0.019 1 31 13 21 LYS CD C 30.451 0.19 1 32 13 21 LYS N N 124.023 0.127 1 33 16 24 MET C C 176.277 0.184 1 34 16 24 MET CA C 59.910 0.137 1 35 16 24 MET CB C 33.835 0.105 1 36 16 24 MET CG C 31.552 0.095 1 37 16 24 MET CE C 15.095 0.096 1 38 16 24 MET N N 119.116 0.193 1 39 17 25 GLN C C 176.121 0.056 1 40 17 25 GLN CA C 55.545 0.144 1 41 17 25 GLN CB C 26.806 0.146 1 42 17 25 GLN CG C 35.197 0.171 1 43 17 25 GLN CD C 181.470 0.127 1 44 17 25 GLN N N 112.816 0.154 1 45 17 25 GLN NE2 N 114.375 0.038 1 46 18 26 CYS C C 174.389 0.157 1 47 18 26 CYS CA C 58.921 0.061 1 48 18 26 CYS CB C 39.828 0.155 1 49 18 26 CYS N N 118.565 0.279 1 50 19 27 LEU C C 173.251 0.113 1 51 19 27 LEU CA C 52.065 0.151 1 52 19 27 LEU CB C 43.217 0.141 1 53 19 27 LEU CG C 27.318 0.081 1 54 19 27 LEU CD1 C 23.668 0.104 2 55 19 27 LEU CD2 C 25.111 0.101 2 56 19 27 LEU N N 115.119 0.34 1 57 20 28 PRO C C 178.381 0.143 1 58 20 28 PRO CA C 66.177 0.132 1 59 20 28 PRO CB C 32.497 0.094 1 60 20 28 PRO CG C 27.793 0.121 1 61 20 28 PRO CD C 49.117 0.144 1 62 20 28 PRO N N 130.116 0.228 1 63 21 29 ASN C C 174.536 0.068 1 64 21 29 ASN CA C 48.587 0.167 1 65 21 29 ASN CB C 36.127 0.154 1 66 21 29 ASN CG C 176.007 0.003 1 67 21 29 ASN N N 119.477 0.268 1 68 22 30 PRO C C 178.481 0.097 1 69 22 30 PRO CA C 64.205 0.168 1 70 22 30 PRO CB C 32.298 0.101 1 71 22 30 PRO CG C 27.779 0.166 1 72 22 30 PRO CD C 50.730 0.113 1 73 22 30 PRO N N 136.550 0.199 1 74 23 31 GLU C C 178.440 0.108 1 75 23 31 GLU CA C 58.362 0.123 1 76 23 31 GLU CB C 26.862 0.003 1 77 23 31 GLU CD C 184.551 0.142 1 78 23 31 GLU N N 121.620 0.284 1 79 24 32 ASP C C 177.363 0.091 1 80 24 32 ASP CA C 57.393 0.17 1 81 24 32 ASP CB C 39.975 0.11 1 82 24 32 ASP CG C 180.775 0.004 1 83 24 32 ASP N N 126.859 0.378 1 84 25 33 VAL C C 177.028 0.113 1 85 25 33 VAL CA C 66.173 0.159 1 86 25 33 VAL CB C 31.419 0.192 1 87 25 33 VAL CG1 C 20.231 0.084 2 88 25 33 VAL CG2 C 24.307 0.075 2 89 25 33 VAL N N 117.908 0.414 1 90 26 34 LYS C C 176.851 0.132 1 91 26 34 LYS CA C 60.742 0.151 1 92 26 34 LYS CB C 32.554 0.139 1 93 26 34 LYS CG C 25.662 0.089 1 94 26 34 LYS CD C 30.458 0.155 1 95 26 34 LYS CE C 42.055 0.158 1 96 26 34 LYS N N 117.411 0.324 1 97 27 35 MET C C 176.860 0.074 1 98 27 35 MET CA C 59.460 0.102 1 99 27 35 MET CB C 32.974 0.181 1 100 27 35 MET CG C 33.736 0.194 1 101 27 35 MET CE C 17.824 0.068 1 102 27 35 MET N N 116.545 0.365 1 103 28 36 ALA C C 180.371 0.099 1 104 28 36 ALA CA C 55.950 0.172 1 105 28 36 ALA CB C 19.030 0.115 1 106 28 36 ALA N N 121.425 0.12 1 107 29 37 LEU C C 178.792 0.069 1 108 29 37 LEU CA C 57.321 0.201 1 109 29 37 LEU CB C 42.018 0.145 1 110 29 37 LEU CG C 27.999 0.053 1 111 29 37 LEU CD1 C 22.552 0.026 2 112 29 37 LEU CD2 C 26.608 0.007 2 113 29 37 LEU N N 116.588 0.263 1 114 30 38 GLU C C 180.444 0.096 1 115 30 38 GLU CA C 60.065 0.153 1 116 30 38 GLU CB C 30.213 0.169 1 117 30 38 GLU CG C 38.277 0.147 1 118 30 38 GLU CD C 182.966 0.077 1 119 30 38 GLU N N 119.231 0.293 1 120 31 39 VAL C C 176.757 0.12 1 121 31 39 VAL CA C 66.907 0.148 1 122 31 39 VAL CB C 31.017 0.184 1 123 31 39 VAL CG1 C 22.575 0.124 2 124 31 39 VAL CG2 C 23.945 0.107 2 125 31 39 VAL N N 118.896 0.195 1 126 32 40 TYR C C 177.428 0.076 1 127 32 40 TYR CA C 57.106 0.216 1 128 32 40 TYR CB C 36.928 0.141 1 129 32 40 TYR CG C 127.565 0.172 1 130 32 40 TYR CZ C 158.058 0.107 1 131 32 40 TYR N N 120.859 0.274 1 132 33 41 LYS C C 177.901 0.118 1 133 33 41 LYS CA C 61.102 0.152 1 134 33 41 LYS CB C 32.426 0.091 1 135 33 41 LYS CG C 25.772 0.091 1 136 33 41 LYS CD C 30.825 0.113 1 137 33 41 LYS CE C 41.999 0.18 1 138 33 41 LYS N N 118.548 0.241 1 139 34 42 LEU C C 178.659 0.066 1 140 34 42 LEU CA C 57.947 0.186 1 141 34 42 LEU CB C 43.766 0.124 1 142 34 42 LEU CG C 27.779 0.155 1 143 34 42 LEU CD1 C 26.647 0.057 2 144 34 42 LEU CD2 C 24.855 0.064 2 145 34 42 LEU N N 117.653 0.151 1 146 35 43 SER C C 178.616 0.092 1 147 35 43 SER CA C 61.285 0.159 1 148 35 43 SER CB C 64.475 0.155 1 149 35 43 SER N N 112.266 0.155 1 150 36 44 LEU C C 180.707 0.146 1 151 36 44 LEU CA C 57.947 0.129 1 152 36 44 LEU CB C 43.386 0.186 1 153 36 44 LEU CG C 27.366 0.138 1 154 36 44 LEU CD2 C 23.378 0.115 1 155 36 44 LEU N N 121.365 0.225 1 156 37 45 GLU C C 180.062 0.198 1 157 37 45 GLU CA C 59.818 0.174 1 158 37 45 GLU CB C 30.156 0.162 1 159 37 45 GLU CD C 182.961 0.065 1 160 37 45 GLU N N 121.054 0.27 1 161 38 46 ILE C C 177.009 0.095 1 162 38 46 ILE CA C 65.510 0.138 1 163 38 46 ILE CB C 38.008 0.102 1 164 38 46 ILE CG1 C 31.205 0.09 1 165 38 46 ILE CG2 C 18.791 0.113 1 166 38 46 ILE CD1 C 16.431 0.131 1 167 38 46 ILE N N 120.952 0.25 1 168 39 47 GLU C C 178.664 0.098 1 169 39 47 GLU CA C 59.542 0.14 1 170 39 47 GLU CB C 30.101 0.081 1 171 39 47 GLU N N 119.892 0.285 1 172 47 55 SER C C 177.153 0.112 1 173 47 55 SER CA C 61.680 0.089 1 174 47 55 SER CB C 61.930 0.02 1 175 47 55 SER N N 115.460 0.286 1 176 48 56 ALA C C 181.002 0.084 1 177 48 56 ALA CA C 55.072 0.177 1 178 48 56 ALA CB C 17.636 0.091 1 179 48 56 ALA N N 123.860 0.269 1 180 49 57 ARG C C 174.611 0.003 1 181 49 57 ARG CA C 59.124 0.179 1 182 49 57 ARG CB C 28.484 0.13 1 183 49 57 ARG CG C 26.909 0.044 1 184 49 57 ARG CD C 42.910 0.081 1 185 49 57 ARG CZ C 159.507 0.059 1 186 49 57 ARG N N 118.279 0.301 1 187 49 57 ARG NE N 85.583 . 1 188 50 58 GLN C C 174.611 0.1 1 189 50 58 GLN CA C 54.045 0.161 1 190 50 58 GLN CB C 28.614 0.05 1 191 50 58 GLN N N 112.387 0.001 1 192 51 59 SER C C 176.209 0.153 1 193 51 59 SER CA C 58.978 0.118 1 194 51 59 SER CB C 64.305 0.129 1 195 51 59 SER N N 116.289 0.204 1 196 52 60 THR C C 176.657 0.216 1 197 52 60 THR CA C 61.992 0.143 1 198 52 60 THR CB C 69.458 0.111 1 199 52 60 THR CG2 C 23.024 0.083 1 200 52 60 THR N N 117.837 0.368 1 201 53 61 LEU C C 177.777 0.136 1 202 53 61 LEU CA C 57.948 0.131 1 203 53 61 LEU CB C 40.297 0.155 1 204 53 61 LEU CG C 26.806 0.118 1 205 53 61 LEU CD1 C 25.607 0.07 2 206 53 61 LEU CD2 C 21.707 0.132 2 207 53 61 LEU N N 123.260 0.311 1 208 54 62 ASP C C 174.895 0.131 1 209 54 62 ASP CA C 52.100 0.121 1 210 54 62 ASP CB C 43.352 0.075 1 211 54 62 ASP CG C 181.051 0.005 1 212 54 62 ASP N N 114.412 0.331 1 213 55 63 LYS C C 174.002 0.072 1 214 55 63 LYS CA C 54.086 0.133 1 215 55 63 LYS CB C 36.324 0.162 1 216 55 63 LYS CG C 25.162 0.105 1 217 55 63 LYS CD C 28.639 0.003 1 218 55 63 LYS N N 118.769 0.155 1 219 56 64 GLU C C 174.430 0.128 1 220 56 64 GLU CA C 55.537 0.193 1 221 56 64 GLU CB C 30.657 0.077 1 222 56 64 GLU CD C 180.321 0.109 1 223 56 64 GLU N N 123.386 0.147 1 224 57 65 LEU C C 182.788 0.109 1 225 57 65 LEU CA C 55.803 0.171 1 226 57 65 LEU CB C 43.605 0.181 1 227 57 65 LEU CG C 29.062 0.124 1 228 57 65 LEU CD1 C 24.425 0.092 2 229 57 65 LEU CD2 C 25.559 0.101 2 230 57 65 LEU N N 133.925 0.131 1 stop_ save_