data_6141 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Cyclophilin D ; _BMRB_accession_number 6141 _BMRB_flat_file_name bmr6141.str _Entry_type original _Submission_date 2004-03-02 _Accession_date 2004-03-16 _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 Hoffmann Bernd . . 2 Kontaxis Georg . . 3 Ruedisser Simon . . 4 Hommel Ulrich . . 5 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "13C chemical shifts" 394 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-08-28 original author . stop_ _Original_release_date 2007-08-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Automated backbone and side-chain assignment of mitochondrial matrix cyclophilin D.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17530183 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schedlbauer A. . . 2 Hoffmann Bernd . . 3 Kontaxis Georg . . 4 Ruedisser Simon . . 5 Hommel Ulrich . . 6 Konrat Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 267 _Year 2007 _Details . loop_ _Keyword 'Cyclophilin D' 'automated NMR signal assignment' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name CypD _Abbreviation_common CypD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cyclophilin D' $CypD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CypD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cyclophilin D' _Abbreviation_common 'Cyclophilin D' _Molecular_mass . _Mol_thiol_state 'not reported' _Details ; Mitochondrial matrix CypD is involved in opening of the mitochondrialpermeability transition pore ; ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MQNPLVYLDVGADGQPLGRV VLELKADVVPKTAENFRALC TGEKGFGYKGSTFHRVIPAF MCQAGDFTNHNGTGGKSIYG SRFPDENFTLKHVGPGVLSM ANAGPNTNGSQFFICTIKTD WLDGKHVVFGHVKEGMDVVK KIESFGSKSGKTSKKIVITD CGQLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 ASN 4 4 PRO 5 5 LEU 6 6 VAL 7 7 TYR 8 8 LEU 9 9 ASP 10 10 VAL 11 11 GLY 12 12 ALA 13 13 ASP 14 14 GLY 15 15 GLN 16 16 PRO 17 17 LEU 18 18 GLY 19 19 ARG 20 20 VAL 21 21 VAL 22 22 LEU 23 23 GLU 24 24 LEU 25 25 LYS 26 26 ALA 27 27 ASP 28 28 VAL 29 29 VAL 30 30 PRO 31 31 LYS 32 32 THR 33 33 ALA 34 34 GLU 35 35 ASN 36 36 PHE 37 37 ARG 38 38 ALA 39 39 LEU 40 40 CYS 41 41 THR 42 42 GLY 43 43 GLU 44 44 LYS 45 45 GLY 46 46 PHE 47 47 GLY 48 48 TYR 49 49 LYS 50 50 GLY 51 51 SER 52 52 THR 53 53 PHE 54 54 HIS 55 55 ARG 56 56 VAL 57 57 ILE 58 58 PRO 59 59 ALA 60 60 PHE 61 61 MET 62 62 CYS 63 63 GLN 64 64 ALA 65 65 GLY 66 66 ASP 67 67 PHE 68 68 THR 69 69 ASN 70 70 HIS 71 71 ASN 72 72 GLY 73 73 THR 74 74 GLY 75 75 GLY 76 76 LYS 77 77 SER 78 78 ILE 79 79 TYR 80 80 GLY 81 81 SER 82 82 ARG 83 83 PHE 84 84 PRO 85 85 ASP 86 86 GLU 87 87 ASN 88 88 PHE 89 89 THR 90 90 LEU 91 91 LYS 92 92 HIS 93 93 VAL 94 94 GLY 95 95 PRO 96 96 GLY 97 97 VAL 98 98 LEU 99 99 SER 100 100 MET 101 101 ALA 102 102 ASN 103 103 ALA 104 104 GLY 105 105 PRO 106 106 ASN 107 107 THR 108 108 ASN 109 109 GLY 110 110 SER 111 111 GLN 112 112 PHE 113 113 PHE 114 114 ILE 115 115 CYS 116 116 THR 117 117 ILE 118 118 LYS 119 119 THR 120 120 ASP 121 121 TRP 122 122 LEU 123 123 ASP 124 124 GLY 125 125 LYS 126 126 HIS 127 127 VAL 128 128 VAL 129 129 PHE 130 130 GLY 131 131 HIS 132 132 VAL 133 133 LYS 134 134 GLU 135 135 GLY 136 136 MET 137 137 ASP 138 138 VAL 139 139 VAL 140 140 LYS 141 141 LYS 142 142 ILE 143 143 GLU 144 144 SER 145 145 PHE 146 146 GLY 147 147 SER 148 148 LYS 149 149 SER 150 150 GLY 151 151 LYS 152 152 THR 153 153 SER 154 154 LYS 155 155 LYS 156 156 ILE 157 157 VAL 158 158 ILE 159 159 THR 160 160 ASP 161 161 CYS 162 162 GLY 163 163 GLN 164 164 LEU 165 165 SER 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 25340 CypD 98.79 166 96.93 99.39 7.12e-112 BMRB 7310 cycD 100.00 165 100.00 100.00 5.31e-117 PDB 4TOT "Crystal Structure Of Rat Cyclophilin D In Complex With A Potent Nonimmunosuppressive Inhibitor" 99.39 165 99.39 99.39 4.26e-115 DBJ BAI47316 "peptidylprolyl isomerase F [synthetic construct]" 98.79 207 96.93 99.39 1.11e-111 GB AAA58434 "cyclophilin 3 protein [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 GB AAB08453 "cyclophilin D [Rattus norvegicus]" 99.39 206 100.00 100.00 3.53e-116 GB AAF71354 "cyclophilin [Macaca mulatta]" 91.52 158 98.01 99.34 3.74e-104 GB AAH04041 "Peptidylprolyl isomerase F (cyclophilin F) [Mus musculus]" 98.79 206 99.39 100.00 5.41e-115 GB AAH05020 "Peptidylprolyl isomerase F [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 REF NP_001001597 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Bos taurus]" 92.73 209 98.04 98.69 4.11e-105 REF NP_001253053 "peptidyl-prolyl cis-trans isomerase F, mitochondrial [Macaca mulatta]" 98.79 207 99.39 100.00 1.67e-114 REF NP_005720 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 REF NP_598845 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Mus musculus]" 98.79 206 99.39 100.00 5.41e-115 REF NP_758443 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Rattus norvegicus]" 99.39 206 100.00 100.00 3.53e-116 SP P29117 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 99.39 206 100.00 100.00 3.53e-116 SP P30404 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 208 98.16 98.77 5.70e-113 SP P30405 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 207 96.93 99.39 1.11e-111 SP Q99KR7 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 206 99.39 100.00 5.41e-115 TPG DAA14226 "TPA: peptidylprolyl isomerase F precursor [Bos taurus]" 92.73 208 98.04 98.69 4.83e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CypD rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $CypD 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypD 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version 2.2 loop_ _Task 'spectrum transformation' stop_ _Details . save_ save_nmrview _Saveframe_category software _Name nmrview _Version 5.0.4 loop_ _Task 'signal assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . . temperature . . . 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 water H 1 'methyl protons' ppm 4.733 external direct . . . 1.00000 $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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample stop_ _Sample_conditions_label $Conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cyclophilin D' _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 MET N N 122.582 . 1 2 . 1 MET CA C 55.151 . 1 3 . 1 MET CB C 32.944 . . 4 . 1 MET CG C 31.054 . . 5 . 2 GLN H H 8.396 . 1 6 . 2 GLN N N 122.202 . 1 7 . 2 GLN CA C 55.179 . 1 8 . 2 GLN CB C 29.986 . . 9 . 2 GLN CG C 32.956 . . 10 . 3 ASN H H 8.634 . 1 11 . 3 ASN N N 124.618 . 1 12 . 3 ASN CA C 51.259 . 1 13 . 3 ASN CB C 37.889 . . 14 . 5 LEU H H 8.491 . 1 15 . 5 LEU N N 121.149 . 1 16 . 5 LEU CA C 53.193 . 1 17 . 5 LEU CB C 44.930 . . 18 . 5 LEU CD1 C 23.877 . . 19 . 6 VAL H H 9.113 . 1 20 . 6 VAL N N 114.998 . 1 21 . 6 VAL CA C 58.187 . 1 22 . 6 VAL CB C 35.241 . . 23 . 6 VAL CG1 C 19.596 . . 24 . 6 VAL CG2 C 21.157 . . 25 . 7 TYR H H 8.722 . 1 26 . 7 TYR N N 116.505 . 1 27 . 7 TYR CA C 54.909 . 1 28 . 7 TYR CB C 42.708 . . 29 . 8 LEU H H 8.995 . 1 30 . 8 LEU N N 116.317 . 1 31 . 8 LEU CA C 53.768 . 1 32 . 8 LEU CB C 45.026 . . 33 . 8 LEU CD1 C 22.446 . . 34 . 8 LEU CD2 C 25.508 . . 35 . 9 ASP H H 9.213 . 1 36 . 9 ASP N N 125.952 . 1 37 . 9 ASP CA C 54.383 . 1 38 . 9 ASP CB C 41.667 . . 39 . 10 VAL H H 8.278 . 1 40 . 10 VAL N N 119.283 . 1 41 . 10 VAL CA C 60.096 . 1 42 . 10 VAL CB C 34.880 . . 43 . 10 VAL CG1 C 20.344 . . 44 . 10 VAL CG2 C 22.442 . . 45 . 11 GLY H H 9.561 . 1 46 . 11 GLY N N 115.062 . 1 47 . 11 GLY CA C 44.449 . 1 48 . 12 ALA H H 8.921 . 1 49 . 12 ALA N N 122.053 . 1 50 . 12 ALA CA C 50.053 . 1 51 . 12 ALA CB C 21.663 . . 52 . 13 ASP H H 9.418 . 1 53 . 13 ASP N N 126.705 . 1 54 . 13 ASP CA C 55.501 . 1 55 . 13 ASP CB C 39.920 . . 56 . 14 GLY H H 8.682 . 1 57 . 14 GLY N N 104.044 . 1 58 . 14 GLY CA C 45.425 . 1 59 . 15 GLN H H 7.834 . 1 60 . 15 GLN N N 121.573 . 1 61 . 15 GLN CA C 51.855 . 1 62 . 15 GLN CB C 29.527 . . 63 . 17 LEU H H 9.705 . 1 64 . 17 LEU N N 122.741 . 1 65 . 17 LEU CA C 54.693 . 1 66 . 17 LEU CB C 43.310 . . 67 . 17 LEU CD1 C 21.542 . . 68 . 17 LEU CD2 C 24.977 . . 69 . 18 GLY H H 7.678 . 1 70 . 18 GLY N N 104.782 . 1 71 . 18 GLY CA C 44.111 . 1 72 . 19 ARG H H 8.327 . 1 73 . 19 ARG N N 121.614 . 1 74 . 19 ARG CA C 54.753 . 1 75 . 19 ARG CB C 34.256 . . 76 . 19 ARG CG C 26.546 . . 77 . 19 ARG CD C 42.335 . . 78 . 20 VAL H H 9.491 . 1 79 . 20 VAL N N 126.449 . 1 80 . 20 VAL CA C 60.946 . 1 81 . 20 VAL CB C 34.342 . . 82 . 21 VAL H H 8.896 . 1 83 . 21 VAL N N 126.907 . 1 84 . 21 VAL CA C 61.760 . 1 85 . 21 VAL CB C 33.460 . . 86 . 22 LEU H H 9.604 . 1 87 . 22 LEU N N 128.850 . 1 88 . 22 LEU CA C 53.404 . 1 89 . 22 LEU CB C 43.145 . . 90 . 23 GLU H H 8.596 . 1 91 . 23 GLU N N 122.607 . 1 92 . 23 GLU CA C 54.833 . 1 93 . 23 GLU CB C 31.833 . . 94 . 24 LEU H H 8.403 . 1 95 . 24 LEU N N 124.536 . 1 96 . 24 LEU CA C 52.121 . 1 97 . 24 LEU CB C 42.847 . . 98 . 24 LEU CG C 32.475 . . 99 . 25 LYS H H 8.856 . 1 100 . 25 LYS N N 125.124 . 1 101 . 25 LYS CA C 53.553 . 1 102 . 25 LYS CB C 27.728 . . 103 . 25 LYS CG C 22.599 . . 104 . 25 LYS CE C 40.789 . . 105 . 26 ALA H H 8.155 . 1 106 . 26 ALA N N 128.572 . 1 107 . 26 ALA CA C 54.008 . 1 108 . 26 ALA CB C 18.841 . . 109 . 27 ASP H H 9.086 . 1 110 . 27 ASP N N 114.076 . 1 111 . 27 ASP CA C 55.127 . 1 112 . 27 ASP CB C 38.462 . . 113 . 28 VAL H H 7.563 . 1 114 . 28 VAL N N 119.743 . 1 115 . 28 VAL CA C 63.745 . 1 116 . 28 VAL CB C 35.269 . . 117 . 28 VAL CG1 C 21.212 . . 118 . 29 VAL H H 8.240 . 1 119 . 29 VAL N N 113.658 . 1 120 . 29 VAL CA C 57.467 . 1 121 . 29 VAL CB C 31.528 . . 122 . 31 LYS H H 10.741 . 1 123 . 31 LYS N N 122.544 . 1 124 . 31 LYS CA C 60.074 . 1 125 . 31 LYS CB C 31.615 . . 126 . 31 LYS CG C 25.229 . . 127 . 31 LYS CD C 28.433 . . 128 . 31 LYS CE C 41.134 . . 129 . 32 THR H H 10.325 . 1 130 . 32 THR N N 124.617 . 1 131 . 32 THR CA C 67.586 . 1 132 . 32 THR CB C 68.720 . . 133 . 32 THR CG2 C 21.267 . . 134 . 33 ALA H H 9.236 . 1 135 . 33 ALA N N 125.543 . 1 136 . 33 ALA CA C 55.847 . 1 137 . 33 ALA CB C 18.579 . . 138 . 34 GLU H H 8.026 . 1 139 . 34 GLU N N 117.517 . 1 140 . 34 GLU CA C 58.039 . 1 141 . 34 GLU CB C 28.210 . . 142 . 34 GLU CG C 32.921 . . 143 . 35 ASN H H 7.098 . 1 144 . 35 ASN N N 114.943 . 1 145 . 35 ASN CA C 56.592 . 1 146 . 35 ASN CB C 39.553 . . 147 . 36 PHE H H 7.050 . 1 148 . 36 PHE N N 117.244 . 1 149 . 36 PHE CA C 61.896 . 1 150 . 36 PHE CB C 40.320 . . 151 . 37 ARG H H 8.867 . 1 152 . 37 ARG N N 119.209 . 1 153 . 37 ARG CA C 45.374 . 1 154 . 37 ARG CB C 30.117 . . 155 . 37 ARG CG C 23.577 . . 156 . 37 ARG CD C 40.574 . . 157 . 38 ALA H H 8.411 . 1 158 . 38 ALA N N 118.130 . 1 159 . 38 ALA CA C 54.212 . 1 160 . 38 ALA CB C 18.169 . . 161 . 39 LEU H H 7.908 . 1 162 . 39 LEU N N 122.090 . 1 163 . 39 LEU CA C 57.144 . 1 164 . 39 LEU CB C 40.884 . . 165 . 39 LEU CD1 C 23.547 . . 166 . 39 LEU CD2 C 25.859 . . 167 . 40 CYS H H 7.877 . 1 168 . 40 CYS N N 120.004 . 1 169 . 40 CYS CA C 63.631 . 1 170 . 40 CYS CB C 26.912 . . 171 . 41 THR H H 7.999 . 1 172 . 41 THR N N 107.079 . 1 173 . 41 THR CA C 63.296 . 1 174 . 41 THR CB C 69.105 . . 175 . 41 THR CG2 C 21.691 . . 176 . 42 GLY H H 7.774 . 1 177 . 42 GLY N N 108.231 . 1 178 . 42 GLY CA C 45.588 . 1 179 . 43 GLU H H 7.989 . 1 180 . 43 GLU N N 118.562 . 1 181 . 43 GLU CA C 58.500 . 1 182 . 43 GLU CB C 30.118 . . 183 . 43 GLU CG C 34.662 . . 184 . 44 LYS H H 9.113 . 1 185 . 44 LYS N N 118.655 . 1 186 . 44 LYS CA C 54.256 . 1 187 . 44 LYS CB C 30.286 . . 188 . 44 LYS CG C 24.165 . . 189 . 44 LYS CD C 26.751 . . 190 . 44 LYS CE C 41.641 . . 191 . 45 GLY H H 7.942 . 1 192 . 45 GLY N N 105.634 . 1 193 . 45 GLY CA C 44.639 . 1 194 . 46 PHE H H 6.396 . 1 195 . 46 PHE N N 113.758 . 1 196 . 46 PHE CA C 54.079 . 1 197 . 46 PHE CB C 39.562 . . 198 . 47 GLY H H 7.681 . 1 199 . 47 GLY N N 104.559 . 1 200 . 47 GLY CA C 45.689 . 1 201 . 48 TYR H H 6.869 . 1 202 . 48 TYR N N 113.220 . 1 203 . 48 TYR CA C 57.655 . 1 204 . 48 TYR CB C 38.816 . . 205 . 49 LYS H H 8.458 . 1 206 . 49 LYS N N 124.561 . 1 207 . 49 LYS CA C 60.967 . 1 208 . 49 LYS CB C 46.312 . . 209 . 49 LYS CG C 24.676 . . 210 . 49 LYS CD C 29.416 . . 211 . 49 LYS CE C 41.467 . . 212 . 50 GLY H H 9.623 . 1 213 . 50 GLY N N 117.703 . 1 214 . 50 GLY CA C 45.471 . 1 215 . 51 SER H H 8.555 . 1 216 . 51 SER N N 116.275 . 1 217 . 51 SER CA C 58.440 . 1 218 . 51 SER CB C 64.756 . . 219 . 52 THR H H 9.538 . 1 220 . 52 THR N N 107.299 . 1 221 . 52 THR CA C 61.338 . 1 222 . 52 THR CB C 73.422 . . 223 . 52 THR CG2 C 21.545 . . 224 . 53 PHE H H 8.486 . 1 225 . 53 PHE N N 120.967 . 1 226 . 53 PHE CA C 57.177 . 1 227 . 53 PHE CB C 38.763 . . 228 . 54 HIS H H 7.423 . 1 229 . 54 HIS N N 119.780 . 1 230 . 54 HIS CA C 56.916 . 1 231 . 54 HIS CB C 31.490 . . 232 . 55 ARG H H 6.775 . 1 233 . 55 ARG N N 123.766 . 1 234 . 55 ARG CA C 54.815 . 1 235 . 55 ARG CB C 32.480 . . 236 . 55 ARG CG C 27.396 . . 237 . 55 ARG CD C 42.734 . . 238 . 56 VAL H H 9.357 . 1 239 . 56 VAL N N 128.775 . 1 240 . 56 VAL CA C 61.904 . 1 241 . 56 VAL CB C 35.116 . . 242 . 56 VAL CG1 C 21.354 . . 243 . 57 ILE H H 8.527 . 1 244 . 57 ILE N N 127.711 . 1 245 . 57 ILE CA C 57.297 . 1 246 . 57 ILE CB C 40.860 . . 247 . 59 ALA H H 9.627 . 1 248 . 59 ALA N N 122.811 . 1 249 . 59 ALA CA C 52.891 . 1 250 . 59 ALA CB C 17.102 . . 251 . 60 PHE H H 7.456 . 1 252 . 60 PHE N N 112.927 . 1 253 . 60 PHE CA C 57.514 . 1 254 . 60 PHE CB C 38.131 . . 255 . 61 MET H H 8.079 . 1 256 . 61 MET N N 112.118 . 1 257 . 61 MET CA C 54.701 . 1 258 . 61 MET CB C 35.233 . . 259 . 61 MET CG C 27.686 . . 260 . 62 CYS H H 8.433 . 1 261 . 62 CYS N N 115.382 . 1 262 . 62 CYS CA C 56.677 . 1 263 . 62 CYS CB C 30.086 . . 264 . 63 GLN H H 9.406 . 1 265 . 63 GLN N N 127.822 . 1 266 . 63 GLN CA C 54.830 . 1 267 . 63 GLN CB C 30.783 . . 268 . 63 GLN CG C 32.847 . . 269 . 64 ALA H H 8.001 . 1 270 . 64 ALA N N 126.059 . 1 271 . 64 ALA CA C 50.253 . 1 272 . 64 ALA CB C 22.538 . . 273 . 65 GLY H H 8.329 . 1 274 . 65 GLY N N 103.850 . 1 275 . 65 GLY CA C 46.986 . 1 276 . 66 ASP H H 10.043 . 1 277 . 66 ASP N N 124.444 . 1 278 . 66 ASP CA C 51.470 . 1 279 . 66 ASP CB C 38.674 . . 280 . 67 PHE H H 6.626 . 1 281 . 67 PHE N N 115.799 . 1 282 . 67 PHE CA C 56.141 . 1 283 . 67 PHE CB C 39.021 . . 284 . 68 THR H H 7.335 . 1 285 . 68 THR N N 109.821 . 1 286 . 68 THR CA C 61.922 . 1 287 . 68 THR CB C 68.679 . . 288 . 68 THR CG2 C 21.249 . . 289 . 69 ASN H H 8.648 . 1 290 . 69 ASN N N 120.524 . 1 291 . 69 ASN CA C 52.732 . 1 292 . 69 ASN CB C 39.308 . . 293 . 71 ASN H H 7.602 . 1 294 . 71 ASN N N 112.604 . 1 295 . 71 ASN CA C 52.599 . 1 296 . 71 ASN CB C 38.873 . . 297 . 72 GLY H H 9.681 . 1 298 . 72 GLY N N 110.599 . 1 299 . 72 GLY CA C 45.138 . 1 300 . 73 THR H H 7.989 . 1 301 . 73 THR N N 112.457 . 1 302 . 73 THR CA C 62.599 . 1 303 . 73 THR CB C 70.868 . . 304 . 73 THR CG2 C 20.241 . . 305 . 74 GLY H H 8.589 . 1 306 . 74 GLY N N 113.299 . 1 307 . 74 GLY CA C 45.502 . 1 308 . 75 GLY H H 8.050 . 1 309 . 75 GLY N N 109.346 . 1 310 . 75 GLY CA C 43.188 . 1 311 . 76 LYS H H 7.016 . 1 312 . 76 LYS N N 115.752 . 1 313 . 76 LYS CA C 55.920 . 1 314 . 76 LYS CB C 34.541 . . 315 . 76 LYS CG C 22.684 . . 316 . 76 LYS CD C 28.833 . . 317 . 76 LYS CE C 40.449 . . 318 . 77 SER H H 7.775 . 1 319 . 77 SER N N 114.483 . 1 320 . 77 SER CA C 56.744 . 1 321 . 77 SER CB C 69.643 . . 322 . 78 ILE H H 8.620 . 1 323 . 78 ILE N N 111.715 . 1 324 . 78 ILE CA C 63.683 . 1 325 . 78 ILE CB C 37.297 . . 326 . 78 ILE CG2 C 16.587 . . 327 . 78 ILE CD1 C 13.353 . . 328 . 79 TYR H H 8.064 . 1 329 . 79 TYR N N 120.594 . 1 330 . 79 TYR CA C 56.204 . 1 331 . 79 TYR CB C 38.842 . . 332 . 80 GLY H H 7.148 . 1 333 . 80 GLY N N 106.585 . 1 334 . 80 GLY CA C 43.943 . 1 335 . 82 ARG H H 7.865 . 1 336 . 82 ARG N N 115.621 . 1 337 . 82 ARG CA C 53.602 . 1 338 . 82 ARG CB C 34.212 . . 339 . 83 PHE H H 9.122 . 1 340 . 83 PHE N N 118.010 . 1 341 . 83 PHE CA C 54.919 . 1 342 . 83 PHE CB C 39.390 . . 343 . 85 ASP H H 8.746 . 1 344 . 85 ASP N N 119.802 . 1 345 . 85 ASP CA C 54.761 . 1 346 . 85 ASP CB C 40.870 . . 347 . 86 GLU H H 9.304 . 1 348 . 86 GLU N N 131.968 . 1 349 . 86 GLU CA C 60.299 . 1 350 . 86 GLU CB C 31.555 . . 351 . 86 GLU CG C 34.327 . . 352 . 87 ASN H H 7.023 . 1 353 . 87 ASN N N 107.016 . 1 354 . 87 ASN CA C 52.889 . 1 355 . 87 ASN CB C 39.565 . . 356 . 88 PHE H H 8.300 . 1 357 . 88 PHE N N 113.204 . 1 358 . 88 PHE CA C 55.925 . 1 359 . 88 PHE CB C 38.365 . . 360 . 89 THR H H 8.532 . 1 361 . 89 THR N N 118.108 . 1 362 . 89 THR CA C 66.869 . 1 363 . 89 THR CB C 68.884 . . 364 . 89 THR CG2 C 21.305 . . 365 . 90 LEU H H 8.118 . 1 366 . 90 LEU N N 118.885 . 1 367 . 90 LEU CA C 54.442 . 1 368 . 90 LEU CB C 40.792 . . 369 . 90 LEU CD1 C 21.338 . . 370 . 90 LEU CD2 C 25.044 . . 371 . 91 LYS H H 8.269 . 1 372 . 91 LYS N N 118.586 . 1 373 . 91 LYS CA C 54.098 . 1 374 . 91 LYS CB C 34.360 . . 375 . 91 LYS CG C 24.745 . . 376 . 91 LYS CD C 27.539 . . 377 . 91 LYS CE C 41.980 . . 378 . 92 HIS H H 10.873 . 1 379 . 92 HIS N N 123.496 . 1 380 . 92 HIS CA C 56.849 . 1 381 . 92 HIS CB C 25.918 . . 382 . 93 VAL H H 7.022 . 1 383 . 93 VAL N N 113.937 . 1 384 . 93 VAL CA C 63.355 . 1 385 . 93 VAL CB C 32.747 . . 386 . 93 VAL CG1 C 17.074 . . 387 . 93 VAL CG2 C 21.463 . . 388 . 94 GLY H H 7.303 . 1 389 . 94 GLY N N 105.650 . 1 390 . 94 GLY CA C 45.541 . 1 391 . 96 GLY H H 9.013 . 1 392 . 96 GLY N N 109.813 . 1 393 . 96 GLY CA C 44.942 . 1 394 . 97 VAL H H 6.648 . 1 395 . 97 VAL N N 119.609 . 1 396 . 97 VAL CA C 64.497 . 1 397 . 97 VAL CB C 33.578 . . 398 . 97 VAL CG1 C 23.617 . . 399 . 98 LEU H H 7.364 . 1 400 . 98 LEU N N 129.760 . 1 401 . 98 LEU CA C 53.200 . 1 402 . 98 LEU CB C 44.008 . . 403 . 98 LEU CD1 C 23.310 . . 404 . 98 LEU CD2 C 26.487 . . 405 . 99 SER H H 8.264 . 1 406 . 99 SER N N 120.986 . 1 407 . 99 SER CA C 55.295 . 1 408 . 99 SER CB C 64.745 . . 409 . 100 MET H H 8.552 . 1 410 . 100 MET N N 123.363 . 1 411 . 100 MET CA C 53.530 . 1 412 . 100 MET CB C 31.036 . . 413 . 103 ALA H H 8.840 . 1 414 . 103 ALA N N 123.298 . 1 415 . 103 ALA CA C 50.311 . 1 416 . 103 ALA CB C 19.254 . . 417 . 104 GLY H H 8.163 . 1 418 . 104 GLY N N 109.332 . 1 419 . 104 GLY CA C 43.426 . 1 420 . 106 ASN H H 8.957 . 1 421 . 106 ASN N N 118.800 . 1 422 . 106 ASN CA C 54.347 . 1 423 . 106 ASN CB C 36.992 . . 424 . 107 THR H H 10.331 . 1 425 . 107 THR N N 110.537 . 1 426 . 107 THR CA C 60.006 . 1 427 . 107 THR CB C 68.880 . . 428 . 107 THR CG2 C 20.386 . . 429 . 108 ASN H H 7.108 . 1 430 . 108 ASN N N 120.109 . 1 431 . 108 ASN CA C 55.674 . 1 432 . 108 ASN CB C 39.653 . . 433 . 109 GLY H H 9.175 . 1 434 . 109 GLY N N 110.969 . 1 435 . 109 GLY CA C 45.912 . 1 436 . 110 SER H H 8.873 . 1 437 . 110 SER N N 117.209 . 1 438 . 110 SER CA C 57.570 . 1 439 . 110 SER CB C 66.033 . . 440 . 111 GLN H H 8.500 . 1 441 . 111 GLN N N 124.853 . 1 442 . 111 GLN CA C 57.754 . 1 443 . 111 GLN CB C 32.098 . . 444 . 111 GLN CG C 35.034 . . 445 . 112 PHE H H 8.801 . 1 446 . 112 PHE N N 118.912 . 1 447 . 112 PHE CA C 55.263 . 1 448 . 112 PHE CB C 42.993 . . 449 . 113 PHE H H 9.726 . 1 450 . 113 PHE N N 115.186 . 1 451 . 113 PHE CA C 54.918 . 1 452 . 113 PHE CB C 43.744 . . 453 . 114 ILE H H 8.765 . 1 454 . 114 ILE N N 117.438 . 1 455 . 114 ILE CA C 59.221 . 1 456 . 114 ILE CB C 40.820 . . 457 . 114 ILE CG2 C 17.254 . . 458 . 114 ILE CD1 C 13.305 . . 459 . 115 CYS H H 9.081 . 1 460 . 115 CYS N N 125.575 . 1 461 . 115 CYS CA C 60.450 . 1 462 . 115 CYS CB C 29.146 . . 463 . 116 THR H H 8.852 . 1 464 . 116 THR N N 113.613 . 1 465 . 116 THR CA C 61.079 . 1 466 . 116 THR CB C 67.530 . . 467 . 116 THR CG2 C 22.591 . . 468 . 117 ILE H H 7.608 . 1 469 . 117 ILE N N 118.139 . 1 470 . 117 ILE CA C 59.666 . 1 471 . 117 ILE CB C 51.876 . . 472 . 117 ILE CG2 C 16.754 . . 473 . 117 ILE CD1 C 14.437 . . 474 . 118 LYS H H 8.273 . 1 475 . 118 LYS N N 120.946 . 1 476 . 118 LYS CA C 57.421 . 1 477 . 118 LYS CB C 32.995 . . 478 . 118 LYS CG C 23.722 . . 479 . 118 LYS CD C 29.174 . . 480 . 118 LYS CE C 41.183 . . 481 . 119 THR H H 7.835 . 1 482 . 119 THR N N 121.317 . 1 483 . 119 THR CA C 57.013 . 1 484 . 119 THR CB C 67.864 . . 485 . 119 THR CG2 C 19.868 . . 486 . 120 ASP H H 8.422 . 1 487 . 120 ASP N N 121.678 . 1 488 . 120 ASP CA C 56.355 . 1 489 . 120 ASP CB C 39.592 . . 490 . 121 TRP H H 7.375 . 1 491 . 121 TRP N N 118.433 . 1 492 . 121 TRP CA C 59.762 . 1 493 . 121 TRP CB C 26.910 . . 494 . 122 LEU H H 7.115 . 1 495 . 122 LEU N N 119.950 . 1 496 . 122 LEU CA C 54.316 . 1 497 . 122 LEU CB C 38.885 . . 498 . 122 LEU CD1 C 20.832 . . 499 . 122 LEU CD2 C 24.573 . . 500 . 123 ASP H H 7.563 . 1 501 . 123 ASP N N 122.826 . 1 502 . 123 ASP CA C 55.872 . 1 503 . 123 ASP CB C 39.294 . . 504 . 124 GLY H H 9.510 . 1 505 . 124 GLY N N 111.488 . 1 506 . 124 GLY CA C 44.981 . 1 507 . 125 LYS H H 7.874 . 1 508 . 125 LYS N N 115.604 . 1 509 . 125 LYS CA C 56.321 . 1 510 . 125 LYS CB C 35.304 . . 511 . 125 LYS CG C 24.544 . . 512 . 125 LYS CD C 28.581 . . 513 . 125 LYS CE C 41.679 . . 514 . 126 HIS H H 7.524 . 1 515 . 126 HIS N N 119.225 . 1 516 . 126 HIS CA C 54.977 . 1 517 . 126 HIS CB C 31.765 . . 518 . 127 VAL H H 8.559 . 1 519 . 127 VAL N N 124.637 . 1 520 . 127 VAL CA C 63.667 . 1 521 . 127 VAL CB C 33.346 . . 522 . 127 VAL CG1 C 20.192 . . 523 . 128 VAL H H 9.647 . 1 524 . 128 VAL N N 133.655 . 1 525 . 128 VAL CA C 62.823 . 1 526 . 128 VAL CB C 30.980 . . 527 . 128 VAL CG1 C 16.719 . . 528 . 129 PHE H H 8.233 . 1 529 . 129 PHE N N 117.705 . 1 530 . 129 PHE CA C 55.229 . 1 531 . 129 PHE CB C 41.992 . . 532 . 130 GLY H H 7.289 . 1 533 . 130 GLY N N 107.433 . 1 534 . 130 GLY CA C 46.844 . 1 535 . 131 HIS H H 8.463 . 1 536 . 131 HIS N N 118.887 . 1 537 . 131 HIS CA C 55.407 . 1 538 . 131 HIS CB C 34.531 . . 539 . 132 VAL H H 8.688 . 1 540 . 132 VAL N N 122.755 . 1 541 . 132 VAL CA C 64.115 . 1 542 . 132 VAL CB C 32.280 . . 543 . 132 VAL CG1 C 21.454 . . 544 . 133 LYS H H 9.601 . 1 545 . 133 LYS N N 132.098 . 1 546 . 133 LYS CA C 56.435 . 1 547 . 133 LYS CB C 35.052 . . 548 . 133 LYS CG C 24.226 . . 549 . 133 LYS CD C 28.355 . . 550 . 133 LYS CE C 41.305 . . 551 . 134 GLU H H 7.914 . 1 552 . 134 GLU N N 115.734 . 1 553 . 134 GLU CA C 44.348 . 1 554 . 134 GLU CB C 33.652 . . 555 . 134 GLU CG C 35.293 . . 556 . 135 GLY H H 8.864 . 1 557 . 135 GLY N N 109.093 . 1 558 . 135 GLY CA C 46.215 . 1 559 . 136 MET H H 9.016 . 1 560 . 136 MET N N 122.555 . 1 561 . 136 MET CA C 56.688 . 1 562 . 136 MET CB C 29.725 . . 563 . 136 MET CG C 32.394 . . 564 . 137 ASP H H 9.165 . 1 565 . 137 ASP N N 116.781 . 1 566 . 137 ASP CA C 56.695 . 1 567 . 137 ASP CB C 38.870 . . 568 . 138 VAL H H 7.469 . 1 569 . 138 VAL N N 124.038 . 1 570 . 138 VAL CA C 66.019 . 1 571 . 138 VAL CB C 30.154 . . 572 . 139 VAL H H 7.551 . 1 573 . 139 VAL N N 120.937 . 1 574 . 139 VAL CA C 66.918 . 1 575 . 139 VAL CB C 30.800 . . 576 . 139 VAL CG1 C 23.026 . . 577 . 139 VAL CG2 C 21.111 . . 578 . 140 LYS H H 8.151 . 1 579 . 140 LYS N N 117.307 . 1 580 . 140 LYS CA C 57.849 . 1 581 . 140 LYS CB C 30.513 . . 582 . 140 LYS CG C 23.524 . . 583 . 140 LYS CD C 26.075 . . 584 . 140 LYS CE C 40.597 . . 585 . 141 LYS H H 7.550 . 1 586 . 141 LYS N N 120.955 . 1 587 . 141 LYS CA C 59.443 . 1 588 . 141 LYS CB C 32.548 . . 589 . 141 LYS CG C 24.758 . . 590 . 141 LYS CD C 29.367 . . 591 . 141 LYS CE C 41.574 . . 592 . 142 ILE H H 8.143 . 1 593 . 142 ILE N N 120.951 . 1 594 . 142 ILE CA C 66.953 . 1 595 . 142 ILE CB C 37.978 . . 596 . 143 GLU H H 8.214 . 1 597 . 143 GLU N N 117.661 . 1 598 . 143 GLU CA C 58.741 . 1 599 . 143 GLU CB C 30.574 . . 600 . 143 GLU CG C 35.928 . . 601 . 144 SER H H 7.340 . 1 602 . 144 SER N N 113.530 . 1 603 . 144 SER CA C 60.918 . 1 604 . 144 SER CB C 62.816 . . 605 . 145 PHE H H 7.717 . 1 606 . 145 PHE N N 119.714 . 1 607 . 145 PHE CA C 57.553 . 1 608 . 145 PHE CB C 39.231 . . 609 . 146 GLY H H 7.816 . 1 610 . 146 GLY N N 105.309 . 1 611 . 146 GLY CA C 44.278 . 1 612 . 147 SER H H 8.244 . 1 613 . 147 SER N N 110.059 . 1 614 . 147 SER CA C 57.928 . 1 615 . 147 SER CB C 66.182 . . 616 . 150 GLY H H 8.090 . 1 617 . 150 GLY N N 113.365 . 1 618 . 150 GLY CA C 44.443 . 1 619 . 151 LYS H H 7.295 . 1 620 . 151 LYS N N 119.568 . 1 621 . 151 LYS CA C 56.650 . 1 622 . 151 LYS CB C 32.716 . . 623 . 151 LYS CG C 23.990 . . 624 . 151 LYS CD C 28.440 . . 625 . 151 LYS CE C 41.592 . . 626 . 152 THR H H 8.770 . 1 627 . 152 THR N N 116.626 . 1 628 . 152 THR CA C 59.776 . 1 629 . 152 THR CB C 71.238 . . 630 . 152 THR CG2 C 21.504 . . 631 . 153 SER H H 9.418 . 1 632 . 153 SER N N 116.579 . 1 633 . 153 SER CA C 58.930 . 1 634 . 153 SER CB C 63.532 . . 635 . 154 LYS H H 7.364 . 1 636 . 154 LYS N N 118.384 . 1 637 . 154 LYS CA C 54.330 . 1 638 . 154 LYS CB C 38.136 . . 639 . 154 LYS CG C 24.954 . . 640 . 154 LYS CD C 28.604 . . 641 . 154 LYS CE C 41.683 . . 642 . 155 LYS H H 8.866 . 1 643 . 155 LYS N N 123.525 . 1 644 . 155 LYS CA C 56.829 . 1 645 . 155 LYS CB C 31.986 . . 646 . 155 LYS CG C 24.112 . . 647 . 155 LYS CD C 28.533 . . 648 . 155 LYS CE C 41.079 . . 649 . 156 ILE H H 9.304 . 1 650 . 156 ILE N N 132.316 . 1 651 . 156 ILE CA C 59.435 . 1 652 . 156 ILE CB C 36.879 . . 653 . 156 ILE CG2 C 18.767 . . 654 . 156 ILE CD1 C 12.750 . . 655 . 157 VAL H H 8.891 . 1 656 . 157 VAL N N 127.690 . 1 657 . 157 VAL CA C 60.970 . 1 658 . 157 VAL CB C 36.179 . . 659 . 157 VAL CG1 C 19.700 . . 660 . 157 VAL CG2 C 21.630 . . 661 . 158 ILE H H 9.109 . 1 662 . 158 ILE N N 126.609 . 1 663 . 158 ILE CA C 60.839 . 1 664 . 158 ILE CB C 37.090 . . 665 . 158 ILE CG2 C 18.440 . . 666 . 158 ILE CD1 C 12.603 . . 667 . 159 THR H H 8.826 . 1 668 . 159 THR N N 123.671 . 1 669 . 159 THR CA C 64.124 . 1 670 . 159 THR CB C 68.105 . . 671 . 159 THR CG2 C 21.520 . . 672 . 160 ASP H H 8.112 . 1 673 . 160 ASP N N 116.523 . 1 674 . 160 ASP CA C 53.581 . 1 675 . 160 ASP CB C 44.470 . . 676 . 161 CYS H H 8.297 . 1 677 . 161 CYS N N 120.683 . 1 678 . 161 CYS CA C 55.235 . 1 679 . 161 CYS CB C 30.615 . . 680 . 162 GLY H H 6.586 . 1 681 . 162 GLY N N 101.598 . 1 682 . 162 GLY CA C 45.463 . 1 683 . 163 GLN H H 9.113 . 1 684 . 163 GLN N N 120.876 . 1 685 . 163 GLN CA C 54.683 . 1 686 . 163 GLN CB C 30.677 . . 687 . 163 GLN CG C 32.321 . . 688 . 164 LEU H H 9.089 . 1 689 . 164 LEU N N 127.248 . 1 690 . 164 LEU CA C 55.551 . 1 691 . 164 LEU CB C 43.380 . . 692 . 164 LEU CD1 C 22.597 . . 693 . 164 LEU CD2 C 25.770 . . 694 . 165 SER H H 8.118 . 1 695 . 165 SER N N 120.468 . 1 696 . 165 SER CA C 59.915 . 1 697 . 165 SER CB C 64.239 . . stop_ save_