data_15505 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CypB ; _BMRB_accession_number 15505 _BMRB_flat_file_name bmr15505.str _Entry_type original _Submission_date 2007-10-04 _Accession_date 2007-10-04 _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 Landrieu Isabelle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 175 "13C chemical shifts" 516 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ _Original_release_date 2008-06-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of the interaction between cyclophilin B and a heparin-derived oligosaccharide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17855358 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hanoulle Xavier . . 2 Melchior Aurelie . . 3 Sibille Nathalie . . 4 Parent B. . . 5 Denys Agnes . . 6 Wieruszeski Jean-Michel . . 7 Horvath Dragos . . 8 Allain Fabrice . . 9 Lippens Guy . . 10 Landrieu Isabelle . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 34148 _Page_last 34158 _Year 2007 _Details . loop_ _Keyword CD147 Cyclophilin 'Heparan Sulfate' 'Prolyl cis/trans isomerase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CypB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CypB $CypB 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_CypB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CypB _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Prolyl cis/trans isomerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; ADEKKKGPKVTVKVYFDLRI GDEDVGRVIFGLFGKTVPKT VDNFVALATGEKGFGYKNSK FHRVIKDFMIQGGDFTRGDG TGGKSIYGERFPDENFKLKH YGPGWVSMANAGKDTNGSQF FITTVKTAWLDGKHVVFGKV LEGMEVVRKVESTKTDSRDK PLKDVIIADCGKIEVEKPFA IAKE ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLU 4 LYS 5 LYS 6 LYS 7 GLY 8 PRO 9 LYS 10 VAL 11 THR 12 VAL 13 LYS 14 VAL 15 TYR 16 PHE 17 ASP 18 LEU 19 ARG 20 ILE 21 GLY 22 ASP 23 GLU 24 ASP 25 VAL 26 GLY 27 ARG 28 VAL 29 ILE 30 PHE 31 GLY 32 LEU 33 PHE 34 GLY 35 LYS 36 THR 37 VAL 38 PRO 39 LYS 40 THR 41 VAL 42 ASP 43 ASN 44 PHE 45 VAL 46 ALA 47 LEU 48 ALA 49 THR 50 GLY 51 GLU 52 LYS 53 GLY 54 PHE 55 GLY 56 TYR 57 LYS 58 ASN 59 SER 60 LYS 61 PHE 62 HIS 63 ARG 64 VAL 65 ILE 66 LYS 67 ASP 68 PHE 69 MET 70 ILE 71 GLN 72 GLY 73 GLY 74 ASP 75 PHE 76 THR 77 ARG 78 GLY 79 ASP 80 GLY 81 THR 82 GLY 83 GLY 84 LYS 85 SER 86 ILE 87 TYR 88 GLY 89 GLU 90 ARG 91 PHE 92 PRO 93 ASP 94 GLU 95 ASN 96 PHE 97 LYS 98 LEU 99 LYS 100 HIS 101 TYR 102 GLY 103 PRO 104 GLY 105 TRP 106 VAL 107 SER 108 MET 109 ALA 110 ASN 111 ALA 112 GLY 113 LYS 114 ASP 115 THR 116 ASN 117 GLY 118 SER 119 GLN 120 PHE 121 PHE 122 ILE 123 THR 124 THR 125 VAL 126 LYS 127 THR 128 ALA 129 TRP 130 LEU 131 ASP 132 GLY 133 LYS 134 HIS 135 VAL 136 VAL 137 PHE 138 GLY 139 LYS 140 VAL 141 LEU 142 GLU 143 GLY 144 MET 145 GLU 146 VAL 147 VAL 148 ARG 149 LYS 150 VAL 151 GLU 152 SER 153 THR 154 LYS 155 THR 156 ASP 157 SER 158 ARG 159 ASP 160 LYS 161 PRO 162 LEU 163 LYS 164 ASP 165 VAL 166 ILE 167 ILE 168 ALA 169 ASP 170 CYS 171 GLY 172 LYS 173 ILE 174 GLU 175 VAL 176 GLU 177 LYS 178 PRO 179 PHE 180 ALA 181 ILE 182 ALA 183 LYS 184 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 25338 CypB 100.00 208 100.00 100.00 3.28e-127 PDB 1CYN "Cyclophilin B Complexed With [d-(Cholinylester)ser8]-Cyclosporin" 96.74 178 100.00 100.00 6.88e-123 PDB 3ICH "Crystal Structure Of Cyclophilin B At 1.2 A Resolution" 100.00 188 99.46 100.00 3.60e-126 PDB 3ICI "Crystal Structure Of Cyclophilin B In Complex With Calmegin Fragment" 100.00 188 99.46 100.00 3.60e-126 DBJ BAF83838 "unnamed protein product [Homo sapiens]" 100.00 216 100.00 100.00 1.42e-127 DBJ BAI46658 "peptidylprolyl isomerase B [synthetic construct]" 100.00 216 100.00 100.00 1.42e-127 DBJ BAK96182 "cyclophilin B [Felis catus]" 100.00 216 97.28 98.91 1.75e-124 EMBL CAG33110 "PPIB [Homo sapiens]" 100.00 216 99.46 100.00 7.56e-127 GB AAA35733 "cyclophilin, partial [Homo sapiens]" 100.00 207 100.00 100.00 3.16e-127 GB AAA36601 "secreted cyclophilin-like protein [Homo sapiens]" 100.00 216 100.00 100.00 1.42e-127 GB AAA52150 "cyclophilin B [Homo sapiens]" 100.00 208 100.00 100.00 3.28e-127 GB AAH01125 "Peptidylprolyl isomerase B (cyclophilin B) [Homo sapiens]" 100.00 216 100.00 100.00 1.42e-127 GB AAH08848 "Peptidylprolyl isomerase B (cyclophilin B) [Homo sapiens]" 100.00 216 100.00 100.00 1.42e-127 REF NP_000933 "peptidyl-prolyl cis-trans isomerase B precursor [Homo sapiens]" 100.00 216 100.00 100.00 1.42e-127 REF NP_001253241 "peptidyl-prolyl cis-trans isomerase B [Macaca mulatta]" 100.00 216 100.00 100.00 1.42e-127 REF NP_001265776 "peptidyl-prolyl cis-trans isomerase B [Felis catus]" 100.00 216 97.28 98.91 1.75e-124 REF XP_002718189 "PREDICTED: LOW QUALITY PROTEIN: peptidyl-prolyl cis-trans isomerase B [Oryctolagus cuniculus]" 100.00 216 98.37 99.46 3.89e-126 REF XP_002753266 "PREDICTED: peptidyl-prolyl cis-trans isomerase B [Callithrix jacchus]" 100.00 216 99.46 100.00 2.86e-127 SP P23284 "RecName: Full=Peptidyl-prolyl cis-trans isomerase B; Short=PPIase B; AltName: Full=CYP-S1; AltName: Full=Cyclophilin B; AltName" 100.00 216 100.00 100.00 1.42e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CypB 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 $CypB 'recombinant technology' . Escherichia coli Bl21(DE3)starpLysS pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypB 0.5 mM '[U-99% 15N]' NaH2PO4/Na2HPO4 50 mM . NaCl 40 mM . EDTA 1 mM . DTT 1 mM . H2O 95 % . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypB 0.5 mM '[U-98% 13C; U-98% 15N]' NaH2PO4/Na2HPO4 50 mM . NaCl 40 mM . EDTA 1 mM . DTT 1 mM . H2O 95 % . D2O 5 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypB 0.3 mM '[U-15N, U-2H]' NaH2PO4/Na2HPO4 50 mM . NaCl 40 mM . EDTA 1 mM . DTT 1 mM . H2O 95 % . D2O 5 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypB 0.3 mM '[U-15N; U-2H]' NaH2PO4/Na2HPO4 50 mM . NaCl 40 mM . EDTA 1 mM . DTT 1 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . 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-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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' 0.04 . M pH 6.3 . pH pressure 1 . atm temperature 293 . 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 TSP C 13 'methyl protons' ppm 0 . indirect . . . 0.101329118 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 . indirect . . . 0.251449530 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 '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CypB _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP C C 176.2437 . 1 2 2 2 ASP CA C 54.3208007 . 1 3 2 2 ASP CB C 40.9808311 . 1 4 3 3 GLU H H 8.73080444 . 1 5 3 3 GLU C C 177.0281 . 1 6 3 3 GLU CA C 57.0350647 . 1 7 3 3 GLU CB C 29.8745422 . 1 8 3 3 GLU N N 123.025329 . 1 9 4 4 LYS H H 8.48257446 . 1 10 4 4 LYS C C 176.9889 . 1 11 4 4 LYS CA C 56.8455963 . 1 12 4 4 LYS CB C 32.3778953 . 1 13 4 4 LYS N N 121.986923 . 1 14 5 5 LYS H H 8.2086792 . 1 15 5 5 LYS C C 176.6751 . 1 16 5 5 LYS CA C 56.2817001 . 1 17 5 5 LYS CB C 32.5882034 . 1 18 5 5 LYS N N 120.744827 . 1 19 6 6 LYS H H 8.17577839 . 1 20 6 6 LYS C C 176.4398 . 1 21 6 6 LYS CA C 56.0700378 . 1 22 6 6 LYS CB C 33.0473709 . 1 23 6 6 LYS N N 121.569854 . 1 24 7 7 GLY H H 7.93325901 . 1 25 7 7 GLY CA C 44.3009986 . 1 26 7 7 GLY N N 109.525276 . 1 27 8 8 PRO C C 175.2632 . 1 28 8 8 PRO CA C 61.9381179 . 1 29 8 8 PRO CB C 33.6675376 . 1 30 9 9 LYS H H 8.03925705 . 1 31 9 9 LYS C C 176.8712 . 1 32 9 9 LYS CA C 54.9503936 . 1 33 9 9 LYS CB C 31.8182945 . 1 34 9 9 LYS N N 115.615646 . 1 35 10 10 VAL H H 8.91672134 . 1 36 10 10 VAL C C 176.2829 . 1 37 10 10 VAL CA C 62.356903 . 1 38 10 10 VAL CB C 31.0411968 . 1 39 10 10 VAL N N 126.722648 . 1 40 11 11 THR H H 8.68851089 . 1 41 11 11 THR C C 175.3024 . 1 42 11 11 THR CA C 62.2972641 . 1 43 11 11 THR CB C 68.8808822 . 1 44 11 11 THR N N 113.33477 . 1 45 12 12 VAL H H 7.92093182 . 1 46 12 12 VAL C C 170.7527 . 1 47 12 12 VAL CA C 61.8261795 . 1 48 12 12 VAL CB C 32.2987747 . 1 49 12 12 VAL N N 120.985458 . 1 50 13 13 LYS H H 8.19400215 . 1 51 13 13 LYS C C 175.6946 . 1 52 13 13 LYS CA C 54.2172699 . 1 53 13 13 LYS CB C 37.4293823 . 1 54 13 13 LYS N N 123.722396 . 1 55 14 14 VAL H H 8.47927475 . 1 56 14 14 VAL C C 174.0473 . 1 57 14 14 VAL CA C 59.6407165 . 1 58 14 14 VAL CB C 38.870819 . 1 59 14 14 VAL N N 119.971008 . 1 60 15 15 TYR H H 8.55 . 1 61 15 15 TYR C C 173.4982 . 1 62 15 15 TYR CA C 54.2760314 . 1 63 15 15 TYR CB C 42.7459716 . 1 64 15 15 TYR N N 122.15 . 1 65 16 16 PHE H H 9.25327587 . 1 66 16 16 PHE C C 174.7141 . 1 67 16 16 PHE CA C 53.0980835 . 1 68 16 16 PHE CB C 42.8715515 . 1 69 16 16 PHE N N 117.278556 . 1 70 17 17 ASP H H 9.11521912 . 1 71 17 17 ASP C C 175.6946 . 1 72 17 17 ASP CA C 54.5802383 . 1 73 17 17 ASP CB C 41.8844223 . 1 74 17 17 ASP N N 123.826705 . 1 75 18 18 LEU H H 8.79464054 . 1 76 18 18 LEU C C 176.7536 . 1 77 18 18 LEU CA C 53.6375656 . 1 78 18 18 LEU CB C 44.8441391 . 1 79 18 18 LEU N N 121.701141 . 1 80 19 19 ARG H H 9.00489235 . 1 81 19 19 ARG C C 174.8317 . 1 82 19 19 ARG CA C 54.7500534 . 1 83 19 19 ARG CB C 34.9548416 . 1 84 19 19 ARG N N 123.709045 . 1 85 20 20 ILE H H 8.6350069 . 1 86 20 20 ILE C C 178.1655 . 1 87 20 20 ILE CA C 61.1222381 . 1 88 20 20 ILE CB C 38.9025344 . 1 89 20 20 ILE N N 122.002586 . 1 90 21 21 GLY H H 9.77849579 . 1 91 21 21 GLY C C 177.8125 . 1 92 21 21 GLY CA C 47.2015304 . 1 93 21 21 GLY N N 119.515174 . 1 94 22 22 ASP H H 8.85269737 . 1 95 22 22 ASP C C 174.4003 . 1 96 22 22 ASP CA C 53.8693008 . 1 97 22 22 ASP CB C 40.9791984 . 1 98 22 22 ASP N N 125.820236 . 1 99 23 23 GLU H H 7.92093182 . 1 100 23 23 GLU C C 175.2632 . 1 101 23 23 GLU CA C 55.1880264 . 1 102 23 23 GLU CB C 31.9999504 . 1 103 23 23 GLU N N 120.985458 . 1 104 24 24 ASP H H 8.85339642 . 1 105 24 24 ASP C C 173.1844 . 1 106 24 24 ASP CA C 54.9045944 . 1 107 24 24 ASP CB C 40.5683746 . 1 108 24 24 ASP N N 127.537345 . 1 109 25 25 VAL H H 8.32988167 . 1 110 25 25 VAL C C 174.8709 . 1 111 25 25 VAL CA C 61.7251739 . 1 112 25 25 VAL CB C 32.3761596 . 1 113 25 25 VAL N N 115.883819 . 1 114 26 26 GLY H H 7.71138525 . 1 115 26 26 GLY C C 171.1449 . 1 116 26 26 GLY CA C 44.5820083 . 1 117 26 26 GLY N N 108.746124 . 1 118 27 27 ARG H H 8.04750443 . 1 119 27 27 ARG C C 173.5374 . 1 120 27 27 ARG CA C 54.4610137 . 1 121 27 27 ARG CB C 33.9748458 . 1 122 27 27 ARG N N 119.578514 . 1 123 28 28 VAL H H 9.30502319 . 1 124 28 28 VAL C C 174.5180 . 1 125 28 28 VAL CA C 60.3521728 . 1 126 28 28 VAL CB C 34.7122573 . 1 127 28 28 VAL N N 125.869613 . 1 128 29 29 ILE H H 8.35517216 . 1 129 29 29 ILE C C 175.0278 . 1 130 29 29 ILE CA C 59.5175628 . 1 131 29 29 ILE CB C 39.6496124 . 1 132 29 29 ILE N N 123.980697 . 1 133 30 30 PHE H H 9.72844219 . 1 134 30 30 PHE C C 175.7730 . 1 135 30 30 PHE CA C 55.6127624 . 1 136 30 30 PHE CB C 41.8062515 . 1 137 30 30 PHE N N 125.731384 . 1 138 31 31 GLY H H 9.5088644 . 1 139 31 31 GLY C C 170.6351 . 1 140 31 31 GLY CA C 45.7962036 . 1 141 31 31 GLY N N 110.014297 . 1 142 32 32 LEU H H 7.99276066 . 1 143 32 32 LEU C C 176.3613 . 1 144 32 32 LEU CA C 52.959114 . 1 145 32 32 LEU CB C 42.6793594 . 1 146 32 32 LEU N N 123.629676 . 1 147 33 33 PHE H H 7.23780203 . 1 148 33 33 PHE C C 177.4595 . 1 149 33 33 PHE CA C 55.050064 . 1 150 33 33 PHE CB C 37.1612854 . 1 151 33 33 PHE N N 122.643516 . 1 152 34 34 GLY H H 8.13569546 . 1 153 34 34 GLY C C 174.4787 . 1 154 34 34 GLY CA C 46.913269 . 1 155 34 34 GLY N N 110.219306 . 1 156 35 35 LYS H H 8.86352444 . 1 157 35 35 LYS C C 177.8518 . 1 158 35 35 LYS CA C 56.3574523 . 1 159 35 35 LYS CB C 31.7547607 . 1 160 35 35 LYS N N 117.141563 . 1 161 36 36 THR H H 7.47235107 . 1 162 36 36 THR C C 175.499847 . 1 163 36 36 THR CA C 65.9958419 . 1 164 36 36 THR CB C 70.0570602 . 1 165 36 36 THR N N 117.706268 . 1 166 37 37 VAL H H 7.85609102 . 1 167 37 37 VAL CA C 58.4085617 . 1 168 37 37 VAL CB C 31.4268569 . 1 169 37 37 VAL N N 114.909896 . 1 170 38 38 PRO C C 179.4598 . 1 171 38 38 PRO CA C 66.1978302 . 1 172 38 38 PRO CB C 31.3830413 . 1 173 39 39 LYS H H 10.5423965 . 1 174 39 39 LYS C C 182.6759 . 1 175 39 39 LYS CA C 59.5689468 . 1 176 39 39 LYS CB C 31.3830413 . 1 177 39 39 LYS N N 119.59217 . 1 178 40 40 THR H H 10.0839386 . 1 179 40 40 THR C C 173.9689 . 1 180 40 40 THR CA C 67.3036422 . 1 181 40 40 THR CB C 68.3781662 . 1 182 40 40 THR N N 123.606979 . 1 183 41 41 VAL H H 8.85269737 . 1 184 41 41 VAL C C 176.4790 . 1 185 41 41 VAL CA C 68.4056549 . 1 186 41 41 VAL CB C 31.6655674 . 1 187 41 41 VAL N N 125.820236 . 1 188 42 42 ASP H H 8.97767258 . 1 189 42 42 ASP C C 179.4990 . 1 190 42 42 ASP CA C 57.4627304 . 1 191 42 42 ASP CB C 39.6847457 . 1 192 42 42 ASP N N 119.499839 . 1 193 43 43 ASN H H 7.15032291 . 1 194 43 43 ASN C C 173.6943 . 1 195 43 43 ASN CA C 56.7342758 . 1 196 43 43 ASN CB C 39.6847457 . 1 197 43 43 ASN N N 115.749694 . 1 198 44 44 PHE H H 7.26746607 . 1 199 44 44 PHE C C 177.4203 . 1 200 44 44 PHE CA C 62.1359558 . 1 201 44 44 PHE CB C 39.9013671 . 1 202 44 44 PHE N N 119.96627 . 1 203 45 45 VAL H H 8.99764824 . 1 204 45 45 VAL C C 177.7733 . 1 205 45 45 VAL CA C 66.953247 . 1 206 45 45 VAL CB C 31.8076934 . 1 207 45 45 VAL N N 116.274482 . 1 208 46 46 ALA H H 7.87575531 . 1 209 46 46 ALA C C 182.1661 . 1 210 46 46 ALA CA C 54.2763443 . 1 211 46 46 ALA CB C 18.619564 . 1 212 46 46 ALA N N 119.45552 . 1 213 47 47 LEU H H 8.1021471 . 1 214 47 47 LEU C C 179.4598 . 1 215 47 47 LEU CA C 56.7714843 . 1 216 47 47 LEU CB C 40.3599662 . 1 217 47 47 LEU N N 121.323425 . 1 218 48 48 ALA H H 8.2697525 . 1 219 48 48 ALA C C 178.0871 . 1 220 48 48 ALA CA C 54.0441818 . 1 221 48 48 ALA CB C 19.07971 . 1 222 48 48 ALA N N 125.764518 . 1 223 49 49 THR H H 8.4762907 . 1 224 49 49 THR C C 178.0871 . 1 225 49 49 THR CA C 62.6081771 . 1 226 49 49 THR CB C 69.7632064 . 1 227 49 49 THR N N 106.184707 . 1 228 50 50 GLY H H 7.65805531 . 1 229 50 50 GLY C C 177.4595 . 1 230 50 50 GLY CA C 45.6974334 . 1 231 50 50 GLY N N 109.158782 . 1 232 51 51 GLU H H 7.98761272 . 1 233 51 51 GLU C C 175.2632 . 1 234 51 51 GLU CA C 58.8389816 . 1 235 51 51 GLU CB C 30.2784633 . 1 236 51 51 GLU N N 119.853424 . 1 237 52 52 LYS H H 9.306 . 1 238 52 52 LYS C C 174.0865 . 1 239 52 52 LYS CA C 54.3962707 . 1 240 52 52 LYS CB C 31.7294521 . 1 241 52 52 LYS N N 125.857 . 1 242 53 53 GLY H H 7.3388958 . 1 243 53 53 GLY C C 172.58 . 1 244 53 53 GLY CA C 44.60886 . 1 245 53 53 GLY N N 111.126525 . 1 246 54 54 PHE H H 6.39854288 . 1 247 54 54 PHE C C 172.7922 . 1 248 54 54 PHE CA C 53.7547149 . 1 249 54 54 PHE CB C 39.573349 . 1 250 54 54 PHE N N 113.818542 . 1 251 55 55 GLY H H 7.81643009 . 1 252 55 55 GLY C C 171.3803 . 1 253 55 55 GLY CA C 45.4482803 . 1 254 55 55 GLY N N 104.906845 . 1 255 56 56 TYR H H 6.96509838 . 1 256 56 56 TYR C C 177.9302 . 1 257 56 56 TYR CA C 56.7307739 . 1 258 56 56 TYR CB C 38.7096672 . 1 259 56 56 TYR N N 113.683502 . 1 260 57 57 LYS H H 8.63365364 . 1 261 57 57 LYS C C 177.2634 . 1 262 57 57 LYS CA C 60.8174667 . 1 263 57 57 LYS CB C 31.0850887 . 1 264 57 57 LYS N N 125.287643 . 1 265 58 58 ASN H H 9.56883335 . 1 266 58 58 ASN C C 174.0081 . 1 267 58 58 ASN CA C 56.330307 . 1 268 58 58 ASN CB C 37.3638114 . 1 269 58 58 ASN N N 120.523597 . 1 270 59 59 SER H H 8.39853859 . 1 271 59 59 SER C C 171.8901 . 1 272 59 59 SER CA C 58.6700439 . 1 273 59 59 SER CB C 65.1931457 . 1 274 59 59 SER N N 115.71746 . 1 275 60 60 LYS H H 8.85671425 . 1 276 60 60 LYS C C 179.1853 . 1 277 60 60 LYS CA C 54.7112655 . 1 278 60 60 LYS CB C 35.8796234 . 1 279 60 60 LYS N N 115.262496 . 1 280 61 61 PHE H H 8.90187359 . 1 281 61 61 PHE C C 175.4593 . 1 282 61 61 PHE CA C 58.4794921 . 1 283 61 61 PHE CB C 38.604393 . 1 284 61 61 PHE N N 122.292961 . 1 285 62 62 HIS H H 7.69721031 . 1 286 62 62 HIS C C 174.0473 . 1 287 62 62 HIS CA C 56.7383499 . 1 288 62 62 HIS CB C 32.2167663 . 1 289 62 62 HIS N N 119.581848 . 1 290 63 63 ARG H H 7.13691807 . 1 291 63 63 ARG C C 172.8707 . 1 292 63 63 ARG CA C 55.4508438 . 1 293 63 63 ARG CB C 33.5351486 . 1 294 63 63 ARG N N 122.479225 . 1 295 64 64 VAL H H 9.12132549 . 1 296 64 64 VAL C C 173.5374 . 1 297 64 64 VAL CA C 62.1314163 . 1 298 64 64 VAL CB C 36.3269653 . 1 299 64 64 VAL N N 128.466918 . 1 300 65 65 ILE H H 8.80497169 . 1 301 65 65 ILE C C 174.0081 . 1 302 65 65 ILE CA C 60.6688385 . 1 303 65 65 ILE CB C 40.2934379 . 1 304 65 65 ILE N N 126.404808 . 1 305 66 66 LYS H H 8.91099072 . 1 306 66 66 LYS C C 176.2437 . 1 307 66 66 LYS CA C 57.9199752 . 1 308 66 66 LYS CB C 31.7237892 . 1 309 66 66 LYS N N 129.552032 . 1 310 67 67 ASP H H 9.67358303 . 1 311 67 67 ASP C C 173.1060 . 1 312 67 67 ASP CA C 56.2368469 . 1 313 67 67 ASP CB C 38.9113159 . 1 314 67 67 ASP N N 120.586822 . 1 315 68 68 PHE H H 7.90264702 . 1 316 68 68 PHE C C 173.6943 . 1 317 68 68 PHE CA C 57.8780746 . 1 318 68 68 PHE CB C 39.2215194 . 1 319 68 68 PHE N N 114.920272 . 1 320 69 69 MET H H 8.49884701 . 1 321 69 69 MET C C 173.4198 . 1 322 69 69 MET CA C 54.9594345 . 1 323 69 69 MET CB C 34.4076309 . 1 324 69 69 MET N N 112.524086 . 1 325 70 70 ILE H H 8.28227329 . 1 326 70 70 ILE C C 176.7536 . 1 327 70 70 ILE CA C 60.310852 . 1 328 70 70 ILE CB C 40.6992034 . 1 329 70 70 ILE N N 110.89064 . 1 330 71 71 GLN H H 9.11613369 . 1 331 71 71 GLN C C 176.5967 . 1 332 71 71 GLN CA C 54.023384 . 1 333 71 71 GLN CB C 30.3822822 . 1 334 71 71 GLN N N 117.437736 . 1 335 72 72 GLY H H 7.90862989 . 1 336 72 72 GLY C C 172.5961 . 1 337 72 72 GLY CA C 44.6653747 . 1 338 72 72 GLY N N 105.818733 . 1 339 73 73 GLY H H 9.21455574 . 1 340 73 73 GLY C C 175.3808 . 1 341 73 73 GLY CA C 46.4431228 . 1 342 73 73 GLY N N 106.364601 . 1 343 74 74 ASP H H 10.2083578 . 1 344 74 74 ASP C C 176.34 . 1 345 74 74 ASP CA C 52.0659027 . 1 346 74 74 ASP CB C 38.587574 . 1 347 74 74 ASP N N 125.001663 . 1 348 75 75 PHE H H 6.71522522 . 1 349 75 75 PHE C C 175.4593 . 1 350 75 75 PHE CA C 55.9678421 . 1 351 75 75 PHE CB C 39.6818733 . 1 352 75 75 PHE N N 116.636131 . 1 353 76 76 THR H H 7.54834223 . 1 354 76 76 THR C C 175.5769 . 1 355 76 76 THR CA C 61.7924346 . 1 356 76 76 THR CB C 68.6164321 . 1 357 76 76 THR N N 111.214942 . 1 358 77 77 ARG H H 8.67416191 . 1 359 77 77 ARG C C 177.6164 . 1 360 77 77 ARG CA C 56.0733871 . 1 361 77 77 ARG CB C 32.7584381 . 1 362 77 77 ARG N N 122.271705 . 1 363 78 78 GLY H H 7.48518562 . 1 364 78 78 GLY C C 172.8314 . 1 365 78 78 GLY CA C 46.3683891 . 1 366 78 78 GLY N N 105.855278 . 1 367 79 79 ASP H H 7.47840023 . 1 368 79 79 ASP C C 176.7536 . 1 369 79 79 ASP CA C 52.5091476 . 1 370 79 79 ASP CB C 41.6828231 . 1 371 79 79 ASP N N 115.166999 . 1 372 80 80 GLY H H 9.50952339 . 1 373 80 80 GLY C C 176.1652 . 1 374 80 80 GLY CA C 44.8860168 . 1 375 80 80 GLY N N 111.097526 . 1 376 81 81 THR H H 8.61939049 . 1 377 81 81 THR C C 176.0868 . 1 378 81 81 THR CA C 62.3572921 . 1 379 81 81 THR CB C 70.0822982 . 1 380 81 81 THR N N 114.396652 . 1 381 82 82 GLY H H 8.825 . 1 382 82 82 GLY C C 175.5377 . 1 383 82 82 GLY CA C 44.703 . 1 384 82 82 GLY N N 113.929245 . 1 385 83 83 GLY H H 8.2211628 . 1 386 83 83 GLY C C 172.0078 . 1 387 83 83 GLY CA C 43.1621437 . 1 388 83 83 GLY N N 113.895 . 1 389 84 84 LYS H H 7.03460979 . 1 390 84 84 LYS C C 172.1647 . 1 391 84 84 LYS CA C 55.7683105 . 1 392 84 84 LYS CB C 34.414421 . 1 393 84 84 LYS N N 114.856445 . 1 394 85 85 SER H H 7.74182987 . 1 395 85 85 SER C C 175.7730 . 1 396 85 85 SER CA C 56.5465087 . 1 397 85 85 SER CB C 70.1141128 . 1 398 85 85 SER N N 114.083114 . 1 399 86 86 ILE H H 8.64039516 . 1 400 86 86 ILE C C 175.9299 . 1 401 86 86 ILE CA C 63.7964172 . 1 402 86 86 ILE CB C 38.8584518 . 1 403 86 86 ILE N N 111.521133 . 1 404 87 87 TYR H H 8.06588745 . 1 405 87 87 TYR C C 175.3024 . 1 406 87 87 TYR CA C 56.0109252 . 1 407 87 87 TYR CB C 38.8300857 . 1 408 87 87 TYR N N 120.704383 . 1 409 88 88 GLY H H 7.08131409 . 1 410 88 88 GLY C C 174.4003 . 1 411 88 88 GLY CA C 43.5678405 . 1 412 88 88 GLY N N 106.4849 . 1 413 89 89 GLU H H 9.18045139 . 1 414 89 89 GLU C C 176.4790 . 1 415 89 89 GLU CA C 61.2901306 . 1 416 89 89 GLU CB C 29.917366 . 1 417 89 89 GLU N N 124.226036 . 1 418 90 90 ARG H H 7.90058947 . 1 419 90 90 ARG C C 175.1847 . 1 420 90 90 ARG CA C 52.898529 . 1 421 90 90 ARG CB C 34.7197837 . 1 422 90 90 ARG N N 112.5578 . 1 423 91 91 PHE H H 9.2457428 . 1 424 91 91 PHE CA C 54.9867706 . 1 425 91 91 PHE CB C 39.4606514 . 1 426 91 91 PHE N N 118.033767 . 1 427 92 92 PRO C C 177.0281 . 1 428 92 92 PRO CA C 62.3849639 . 1 429 92 92 PRO CB C 32.7886428 . 1 430 93 93 ASP H H 9.28819084 . 1 431 93 93 ASP C C 176.9889 . 1 432 93 93 ASP CA C 54.8675537 . 1 433 93 93 ASP CB C 40.6946868 . 1 434 93 93 ASP N N 120.554084 . 1 435 94 94 GLU H H 9.16167831 . 1 436 94 94 GLU C C 176.3613 . 1 437 94 94 GLU CA C 60.3264694 . 1 438 94 94 GLU CB C 31.3731117 . 1 439 94 94 GLU N N 131.279724 . 1 440 95 95 ASN H H 6.9750 . 1 441 95 95 ASN C C 170.7527 . 1 442 95 95 ASN CA C 52.8524932 . 1 443 95 95 ASN CB C 39.4339485 . 1 444 95 95 ASN N N 106.4849 . 1 445 96 96 PHE H H 8.34528542 . 1 446 96 96 PHE C C 177.6949 . 1 447 96 96 PHE CA C 55.6889724 . 1 448 96 96 PHE CB C 38.495552 . 1 449 96 96 PHE N N 113.433456 . 1 450 97 97 LYS H H 8.47989082 . 1 451 97 97 LYS C C 178.2832 . 1 452 97 97 LYS CA C 59.8459396 . 1 453 97 97 LYS CB C 32.9941291 . 1 454 97 97 LYS N N 119.397445 . 1 455 98 98 LEU H H 7.69156742 . 1 456 98 98 LEU C C 175.34 . 1 457 98 98 LEU CA C 53.0262832 . 1 458 98 98 LEU CB C 42.5078887 . 1 459 98 98 LEU N N 115.033584 . 1 460 99 99 LYS H H 5.75374317 . 1 461 99 99 LYS C C 172.5569 . 1 462 99 99 LYS CA C 53.7184371 . 1 463 99 99 LYS CB C 34.5877304 . 1 464 99 99 LYS N N 118.671409 . 1 465 100 100 HIS H H 9.44426441 . 1 466 100 100 HIS C C 178 . 1 467 100 100 HIS CA C 55.1109619 . 1 468 100 100 HIS CB C 25.6604061 . 1 469 100 100 HIS N N 117.358459 . 1 470 101 101 TYR H H 5.75690079 . 1 471 101 101 TYR C C 175.3024 . 1 472 101 101 TYR CA C 61.9789352 . 1 473 101 101 TYR CB C 39.5644035 . 1 474 101 101 TYR N N 116.51551 . 1 475 102 102 GLY H H 7.09243059 . 1 476 102 102 GLY CA C 44.9342117 . 1 477 102 102 GLY N N 101.55957 . 1 478 103 103 PRO C C 177.1850 . 1 479 103 103 PRO CA C 63.5837631 . 1 480 103 103 PRO CB C 32.0380172 . 1 481 104 104 GLY H H 9.13681984 . 1 482 104 104 GLY C C 173.4590 . 1 483 104 104 GLY CA C 45.9782028 . 1 484 104 104 GLY N N 111.877159 . 1 485 105 105 TRP H H 7.86884594 . 1 486 105 105 TRP C C 174.1257 . 1 487 105 105 TRP CA C 59.7533187 . 1 488 105 105 TRP CB C 28.2393341 . 1 489 105 105 TRP N N 122.735916 . 1 490 106 106 VAL H H 8.41691971 . 1 491 106 106 VAL C C 173.6551 . 1 492 106 106 VAL CA C 60.8129806 . 1 493 106 106 VAL CB C 32.9577827 . 1 494 106 106 VAL N N 122.571365 . 1 495 107 107 SER H H 8.38871956 . 1 496 107 107 SER C C 174.6356 . 1 497 107 107 SER CA C 54.8165435 . 1 498 107 107 SER CB C 65.914154 . 1 499 107 107 SER N N 121.262054 . 1 500 108 108 MET H H 8.68945217 . 1 501 108 108 MET C C 178.4008 . 1 502 108 108 MET CA C 53.4803466 . 1 503 108 108 MET CB C 30.6508674 . 1 504 108 108 MET N N 121.22055 . 1 505 109 109 ALA H H 8.31835747 . 1 506 109 109 ALA C C 175.9691 . 1 507 109 109 ALA CA C 51.6095123 . 1 508 109 109 ALA CB C 19.5637493 . 1 509 109 109 ALA N N 127.527198 . 1 510 110 110 ASN H H 8.28964233 . 1 511 110 110 ASN C C 173.9296 . 1 512 110 110 ASN CA C 53.9913101 . 1 513 110 110 ASN CB C 40.5527229 . 1 514 110 110 ASN N N 113.720108 . 1 515 111 111 ALA H H 8.78010273 . 1 516 111 111 ALA C C 176.9104 . 1 517 111 111 ALA CA C 50.3110733 . 1 518 111 111 ALA CB C 19.0433349 . 1 519 111 111 ALA N N 123.444053 . 1 520 112 112 GLY H H 8.10331535 . 1 521 112 112 GLY C C 174.5572 . 1 522 112 112 GLY CA C 43.0167312 . 1 523 112 112 GLY N N 108.627532 . 1 524 113 113 LYS H H 8.56855869 . 1 525 113 113 LYS C C 175.8515 . 1 526 113 113 LYS CA C 57.9771957 . 1 527 113 113 LYS CB C 32.5922927 . 1 528 113 113 LYS N N 122.949226 . 1 529 114 114 ASP H H 8.45 . 1 530 114 114 ASP C C 175.6161 . 1 531 114 114 ASP CA C 55.6468124 . 1 532 114 114 ASP CB C 38.8790817 . 1 533 114 114 ASP N N 121.28 . 1 534 115 115 THR H H 10.3619022 . 1 535 115 115 THR C C 173.6551 . 1 536 115 115 THR CA C 60.1303787 . 1 537 115 115 THR CB C 68.7177658 . 1 538 115 115 THR N N 110.265945 . 1 539 116 116 ASN H H 7.19770288 . 1 540 116 116 ASN C C 174.4395 . 1 541 116 116 ASN CA C 55.3583068 . 1 542 116 116 ASN CB C 39.8967895 . 1 543 116 116 ASN N N 120.137222 . 1 544 117 117 GLY H H 9.303895 . 1 545 117 117 GLY C C 170.9096 . 1 546 117 117 GLY CA C 46.0426139 . 1 547 117 117 GLY N N 110.945068 . 1 548 118 118 SER H H 8.86352444 . 1 549 118 118 SER C C 176.0476 . 1 550 118 118 SER CA C 56.3364486 . 1 551 118 118 SER CB C 66.3271637 . 1 552 118 118 SER N N 117.141563 . 1 553 119 119 GLN H H 8.41679287 . 1 554 119 119 GLN C C 175.1847 . 1 555 119 119 GLN CA C 57.0650405 . 1 556 119 119 GLN CB C 32.3093681 . 1 557 119 119 GLN N N 124.582916 . 1 558 120 120 PHE H H 8.13560295 . 1 559 120 120 PHE C C 171.8901 . 1 560 120 120 PHE CA C 55.1487274 . 1 561 120 120 PHE CB C 42.8878021 . 1 562 120 120 PHE N N 118.398849 . 1 563 121 121 PHE H H 9.82239723 . 1 564 121 121 PHE C C 176.892135 . 1 565 121 121 PHE CA C 54.6789398 . 1 566 121 121 PHE CB C 43.1255302 . 1 567 121 121 PHE N N 116.893814 . 1 568 122 122 ILE H H 9.23633003 . 1 569 122 122 ILE C C 176.5967 . 1 570 122 122 ILE CA C 59.8256301 . 1 571 122 122 ILE CB C 40.0219955 . 1 572 122 122 ILE N N 119.483001 . 1 573 123 123 THR H H 9.11613369 . 1 574 123 123 THR C C 177.1850 . 1 575 123 123 THR CA C 62.6217498 . 1 576 123 123 THR CB C 69.9644546 . 1 577 123 123 THR N N 117.437736 . 1 578 124 124 THR H H 8.96935177 . 1 579 124 124 THR C C 175.0671 . 1 580 124 124 THR CA C 61.4058837 . 1 581 124 124 THR CB C 67.1888427 . 1 582 124 124 THR N N 112.193405 . 1 583 125 125 VAL H H 7.85609102 . 1 584 125 125 VAL C C 174.0865 . 1 585 125 125 VAL CA C 59.2521667 . 1 586 125 125 VAL CB C 37.3266029 . 1 587 125 125 VAL N N 114.909896 . 1 588 126 126 LYS H H 8.59546185 . 1 589 126 126 LYS C C 176.4790 . 1 590 126 126 LYS CA C 57.8789749 . 1 591 126 126 LYS CB C 33.3582267 . 1 592 126 126 LYS N N 119.585525 . 1 593 127 127 THR H H 7.10371685 . 1 594 127 127 THR C C 177.0281 . 1 595 127 127 THR CA C 56.7834091 . 1 596 127 127 THR CB C 67.8521575 . 1 597 127 127 THR N N 118.897018 . 1 598 128 128 ALA H H 8.55636978 . 1 599 128 128 ALA C C 179.0284 . 1 600 128 128 ALA CA C 54.5558242 . 1 601 128 128 ALA CB C 18.6375503 . 1 602 128 128 ALA N N 126.722526 . 1 603 129 129 TRP H H 7.24509859 . 1 604 129 129 TRP C C 176.287 . 1 605 129 129 TRP CA C 59.688179 . 1 606 129 129 TRP CB C 26.7952995 . 1 607 129 129 TRP N N 113.765983 . 1 608 130 130 LEU H H 6.87428713 . 1 609 130 130 LEU C C 177.3811 . 1 610 130 130 LEU CA C 54.2934265 . 1 611 130 130 LEU CB C 40.2278823 . 1 612 130 130 LEU N N 119.981834 . 1 613 131 131 ASP H H 7.53315592 . 1 614 131 131 ASP C C 178.1263 . 1 615 131 131 ASP CA C 55.66893 . 1 616 131 131 ASP CB C 39.455986 . 1 617 131 131 ASP N N 122.7677 . 1 618 132 132 GLY H H 9.66602802 . 1 619 132 132 GLY CA C 44.9677429 . 1 620 132 132 GLY N N 111.65393 . 1 621 133 133 LYS H H 7.6327405 . 1 622 133 133 LYS C C 175.3024 . 1 623 133 133 LYS CA C 56.1948623 . 1 624 133 133 LYS CB C 35.1384697 . 1 625 133 133 LYS N N 115.070617 . 1 626 134 134 HIS H H 7.33644772 . 1 627 134 134 HIS C C 177.9302 . 1 628 134 134 HIS CA C 54.6302337 . 1 629 134 134 HIS CB C 32.0458145 . 1 630 134 134 HIS N N 118.761215 . 1 631 135 135 VAL C C 174.9 . 1 632 135 135 VAL CA C 63.7936096 . 1 633 136 136 VAL H H 9.49378777 . 1 634 136 136 VAL C C 176.9889 . 1 635 136 136 VAL CA C 62.822174 . 1 636 136 136 VAL CB C 31.8707695 . 1 637 136 136 VAL N N 134.107452 . 1 638 137 137 PHE H H 8.50527096 . 1 639 137 137 PHE C C 172.7922 . 1 640 137 137 PHE CA C 56.4064636 . 1 641 137 137 PHE CB C 42.579422 . 1 642 137 137 PHE N N 118.800323 . 1 643 138 138 GLY H H 7.43312359 . 1 644 138 138 GLY C C 170.0860 . 1 645 138 138 GLY CA C 46.0927887 . 1 646 138 138 GLY N N 108.874069 . 1 647 139 139 LYS H H 8.35019779 . 1 648 139 139 LYS C C 175.2632 . 1 649 139 139 LYS CA C 54.6440582 . 1 650 139 139 LYS CB C 36.4827461 . 1 651 139 139 LYS N N 117.321228 . 1 652 140 140 VAL H H 9.20096207 . 1 653 140 140 VAL C C 175.0278 . 1 654 140 140 VAL CA C 64.646202 . 1 655 140 140 VAL CB C 32.2262496 . 1 656 140 140 VAL N N 127.389984 . 1 657 141 141 LEU H H 9.1811924 . 1 658 141 141 LEU C C 177.3027 . 1 659 141 141 LEU CA C 54.8933105 . 1 660 141 141 LEU CB C 43.7358894 . 1 661 141 141 LEU N N 129.148086 . 1 662 142 142 GLU H H 7.6602931 . 1 663 142 142 GLU C C 175.2239 . 1 664 142 142 GLU CA C 55.1112365 . 1 665 142 142 GLU CB C 33.6570015 . 1 666 142 142 GLU N N 116.735725 . 1 667 143 143 GLY H H 9.0418272 . 1 668 143 143 GLY C C 177.6164 . 1 669 143 143 GLY CA C 45.9517784 . 1 670 143 143 GLY N N 109.591224 . 1 671 144 144 MET H H 9.07656479 . 1 672 144 144 MET C C 178.4008 . 1 673 144 144 MET CA C 56.8000869 . 1 674 144 144 MET CB C 29.7245979 . 1 675 144 144 MET N N 123.268043 . 1 676 145 145 GLU H H 9.78512573 . 1 677 145 145 GLU C C 179.0676 . 1 678 145 145 GLU CA C 59.5843429 . 1 679 145 145 GLU CB C 27.9511108 . 1 680 145 145 GLU N N 117.958763 . 1 681 146 146 VAL H H 7.50858116 . 1 682 146 146 VAL C C 178.3224 . 1 683 146 146 VAL CA C 65.812088 . 1 684 146 146 VAL CB C 30.9359397 . 1 685 146 146 VAL N N 123.039222 . 1 686 147 147 VAL H H 7.32631779 . 1 687 147 147 VAL C C 178.2440 . 1 688 147 147 VAL CA C 67.1240005 . 1 689 147 147 VAL CB C 30.806633 . 1 690 147 147 VAL N N 120.276824 . 1 691 148 148 ARG H H 8.4653244 . 1 692 148 148 ARG C C 178.9892 . 1 693 148 148 ARG CA C 58.3348541 . 1 694 148 148 ARG CB C 29.3273658 . 1 695 148 148 ARG N N 116.417228 . 1 696 149 149 LYS H H 7.55353642 . 1 697 149 149 LYS C C 179.4990 . 1 698 149 149 LYS CA C 59.6989517 . 1 699 149 149 LYS CB C 31.9017868 . 1 700 149 149 LYS N N 121.723159 . 1 701 150 150 VAL H H 7.80157375 . 1 702 150 150 VAL CA C 67.00354 . 1 703 150 150 VAL CB C 30.7915916 . 1 704 150 150 VAL N N 119.650497 . 1 705 151 151 GLU H H 8.69843006 . 1 706 151 151 GLU C C 175.4593 . 1 707 151 151 GLU CA C 58.1892547 . 1 708 151 151 GLU CB C 29.9938468 . 1 709 151 151 GLU N N 118.33348 . 1 710 152 152 SER H H 7.24353218 . 1 711 152 152 SER C C 174.0865 . 1 712 152 152 SER CA C 58.527565 . 1 713 152 152 SER CB C 64.286827 . 1 714 152 152 SER N N 108.976989 . 1 715 153 153 THR H H 7.81881094 . 1 716 153 153 THR C C 173.0276 . 1 717 153 153 THR CA C 63.6325073 . 1 718 153 153 THR CB C 69.9609909 . 1 719 153 153 THR N N 121.07975 . 1 720 154 154 LYS H H 8.06315804 . 1 721 154 154 LYS C C 178.0086 . 1 722 154 154 LYS CA C 57.8745117 . 1 723 154 154 LYS CB C 32.883625 . 1 724 154 154 LYS N N 125.667694 . 1 725 155 155 THR H H 8.50491714 . 1 726 155 155 THR C C 174.7141 . 1 727 155 155 THR CA C 59.1952438 . 1 728 155 155 THR CB C 72.7089157 . 1 729 155 155 THR N N 114.869766 . 1 730 156 156 ASP H H 8.41351795 . 1 731 156 156 ASP C C 178.5970 . 1 732 156 156 ASP CA C 52.1500473 . 1 733 156 156 ASP CB C 41.4753799 . 1 734 156 156 ASP N N 119.641784 . 1 735 157 157 SER H H 8.31145287 . 1 736 157 157 SER C C 175.4593 . 1 737 157 157 SER CA C 60.6893386 . 1 738 157 157 SER CB C 62.8533783 . 1 739 157 157 SER N N 112.125167 . 1 740 158 158 ARG H H 8.56855869 . 1 741 158 158 ARG C C 175.5377 . 1 742 158 158 ARG CA C 55.1146698 . 1 743 158 158 ARG CB C 29.1929626 . 1 744 158 158 ARG N N 122.949226 . 1 745 159 159 ASP H H 8.28964233 . 1 746 159 159 ASP C C 172.6746 . 1 747 159 159 ASP CA C 56.3246536 . 1 748 159 159 ASP CB C 39.4883155 . 1 749 159 159 ASP N N 113.720108 . 1 750 160 160 LYS H H 8.52192116 . 1 751 160 160 LYS CA C 53.2667541 . 1 752 160 160 LYS CB C 34.3364181 . 1 753 160 160 LYS N N 122.341239 . 1 754 161 161 PRO C C 173.7335 . 1 755 161 161 PRO CA C 63.7140121 . 1 756 161 161 PRO CB C 33.0700149 . 1 757 162 162 LEU H H 8.63365364 . 1 758 162 162 LEU C C 178.4401 . 1 759 162 162 LEU CA C 57.0482406 . 1 760 162 162 LEU CB C 41.6694564 . 1 761 162 162 LEU N N 125.287643 . 1 762 163 163 LYS H H 7.93184519 . 1 763 163 163 LYS C C 174.0865 . 1 764 163 163 LYS CA C 54.323059 . 1 765 163 163 LYS CB C 34.7831649 . 1 766 163 163 LYS N N 119.492324 . 1 767 164 164 ASP H H 8.23742485 . 1 768 164 164 ASP C C 175.8123 . 1 769 164 164 ASP CA C 54.9580154 . 1 770 164 164 ASP CB C 40.7929115 . 1 771 164 164 ASP N N 117.583709 . 1 772 165 165 VAL H H 9.82125854 . 1 773 165 165 VAL C C 175.4985 . 1 774 165 165 VAL CA C 61.0602645 . 1 775 165 165 VAL CB C 31.9148445 . 1 776 165 165 VAL N N 127.488159 . 1 777 166 166 ILE H H 9.00662231 . 1 778 166 166 ILE C C 175.7730 . 1 779 166 166 ILE CA C 59.2177505 . 1 780 166 166 ILE CB C 43.0096206 . 1 781 166 166 ILE N N 124.910629 . 1 782 167 167 ILE H H 8.56848431 . 1 783 167 167 ILE C C 173.9296 . 1 784 167 167 ILE CA C 60.9718475 . 1 785 167 167 ILE CB C 36.1001968 . 1 786 167 167 ILE N N 124.824447 . 1 787 168 168 ALA H H 8.81280041 . 1 788 168 168 ALA C C 178.0086 . 1 789 168 168 ALA CA C 53.865364 . 1 790 168 168 ALA CB C 19.0592727 . 1 791 168 168 ALA N N 134.2493 . 1 792 169 169 ASP H H 8.0268774 . 1 793 169 169 ASP C C 177.1850 . 1 794 169 169 ASP CA C 53.4388656 . 1 795 169 169 ASP CB C 43.973648 . 1 796 169 169 ASP N N 110.900939 . 1 797 170 170 CYS H H 8.32988167 . 1 798 170 170 CYS C C 172.17 . 1 799 170 170 CYS CA C 54.8613205 . 1 800 170 170 CYS CB C 31.4508132 . 1 801 170 170 CYS N N 115.883819 . 1 802 171 171 GLY H H 6.80779743 . 1 803 171 171 GLY C C 170.2036 . 1 804 171 171 GLY CA C 45.3091392 . 1 805 171 171 GLY N N 102.159576 . 1 806 172 172 LYS H H 8.79671955 . 1 807 172 172 LYS C C 174.8709 . 1 808 172 172 LYS CA C 54.5315933 . 1 809 172 172 LYS CB C 36.2803726 . 1 810 172 172 LYS N N 119.553802 . 1 811 173 173 ILE H H 8.78055286 . 1 812 173 173 ILE C C 174.7533 . 1 813 173 173 ILE CA C 61.0445098 . 1 814 173 173 ILE CB C 41.8976364 . 1 815 173 173 ILE N N 125.699005 . 1 816 174 174 GLU H H 8.70175934 . 1 817 174 174 GLU C C 176.7536 . 1 818 174 174 GLU CA C 56.9475708 . 1 819 174 174 GLU CB C 30.1438331 . 1 820 174 174 GLU N N 125.420501 . 1 821 175 175 VAL H H 9.12352085 . 1 822 175 175 VAL C C 175.3024 . 1 823 175 175 VAL CA C 60.7540283 . 1 824 175 175 VAL CB C 33.7206192 . 1 825 175 175 VAL N N 123.500503 . 1 826 176 176 GLU H H 8.9513464 . 1 827 176 176 GLU C C 176.7536 . 1 828 176 176 GLU CA C 59.2763977 . 1 829 176 176 GLU CB C 29.7422123 . 1 830 176 176 GLU N N 128.000366 . 1 831 177 177 LYS H H 7.722085 . 1 832 177 177 LYS CA C 52.664093 . 1 833 177 177 LYS CB C 34.0062065 . 1 834 177 177 LYS N N 117.349754 . 1 835 178 178 PRO C C 175.7338 . 1 836 178 178 PRO CA C 63.7411041 . 1 837 178 178 PRO CB C 32.7899437 . 1 838 179 179 PHE H H 7.25957394 . 1 839 179 179 PHE C C 172.4785 . 1 840 179 179 PHE CA C 53.8815994 . 1 841 179 179 PHE CB C 41.2064323 . 1 842 179 179 PHE N N 117.270523 . 1 843 180 180 ALA H H 8.91016769 . 1 844 180 180 ALA C C 177.8518 . 1 845 180 180 ALA CA C 51.2668457 . 1 846 180 180 ALA CB C 20.3135738 . 1 847 180 180 ALA N N 125.48809 . 1 848 181 181 ILE H H 7.75441313 . 1 849 181 181 ILE C C 174.4003 . 1 850 181 181 ILE CA C 58.7307663 . 1 851 181 181 ILE CB C 41.3298568 . 1 852 181 181 ILE N N 114.651977 . 1 853 182 182 ALA H H 8.17577839 . 1 854 182 182 ALA C C 178.6754 . 1 855 182 182 ALA CA C 51.5287094 . 1 856 182 182 ALA CB C 19.8536167 . 1 857 182 182 ALA N N 121.569854 . 1 858 183 183 LYS H H 8.41691971 . 1 859 183 183 LYS C C 173.9296 . 1 860 183 183 LYS CA C 55.6620941 . 1 861 183 183 LYS CB C 29.8128032 . 1 862 183 183 LYS N N 122.571365 . 1 863 184 184 GLU H H 7.94974899 . 1 864 184 184 GLU CA C 56.7585372 . 1 865 184 184 GLU CB C 31.5466842 . 1 866 184 184 GLU N N 126.490592 . 1 stop_ save_