data_15180 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Intrinsically unstructured proteins provide the specificity for protein phosphatase 1 regulation. ; _BMRB_accession_number 15180 _BMRB_flat_file_name bmr15180.str _Entry_type original _Submission_date 2007-03-16 _Accession_date 2007-03-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of backbone and sidechain atoms of the Spinophilin PP1 binding domain (residues 417 - 494).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dancheck Barbara . . 2 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 334 "13C chemical shifts" 302 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6927 'Spinophilin PDZ domain (493-602)' stop_ _Original_release_date 2007-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for spinophilin-neurabin receptor interaction' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17279777 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kelker Matthew S. . 2 Dancheck Barbara . . 3 Ju Tingting . . 4 Kessler Rene P. . 5 Hudak Jebecka . . 6 Nairn Angus C. . 7 Peti Wolfgang . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2333 _Page_last 2344 _Year 2007 _Details . loop_ _Keyword 'intrinsically unstructured' PP1 signaling stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Spinophilin PP1 binding domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Spinophilin PP1 binding domain' $Spinophilin_PP1_binding_domain stop_ _System_molecular_weight 9231 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Spinophilin_PP1_binding_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Spinophilin_PP1_binding_domain _Molecular_mass 9231 _Mol_thiol_state 'all free' loop_ _Biological_function 'PP1 binding domain of PP1 targeting protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GHMDEEDGEPPYEPESGCVE IPGLSEEEDPAPSRKIHFST APIQVFSTYSNEDYDRRNED VDPMAASAEYELEKRVERLE L ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ASP 5 GLU 6 GLU 7 ASP 8 GLY 9 GLU 10 PRO 11 PRO 12 TYR 13 GLU 14 PRO 15 GLU 16 SER 17 GLY 18 CYS 19 VAL 20 GLU 21 ILE 22 PRO 23 GLY 24 LEU 25 SER 26 GLU 27 GLU 28 GLU 29 ASP 30 PRO 31 ALA 32 PRO 33 SER 34 ARG 35 LYS 36 ILE 37 HIS 38 PHE 39 SER 40 THR 41 ALA 42 PRO 43 ILE 44 GLN 45 VAL 46 PHE 47 SER 48 THR 49 TYR 50 SER 51 ASN 52 GLU 53 ASP 54 TYR 55 ASP 56 ARG 57 ARG 58 ASN 59 GLU 60 ASP 61 VAL 62 ASP 63 PRO 64 MET 65 ALA 66 ALA 67 SER 68 ALA 69 GLU 70 TYR 71 GLU 72 LEU 73 GLU 74 LYS 75 ARG 76 VAL 77 GLU 78 ARG 79 LEU 80 GLU 81 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3EGG "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Spinophilin" 100.00 170 100.00 100.00 2.29e-50 PDB 3EGH "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (pp1), The Pp1 Binding And Pdz Domains Of Spinophilin And Th" 100.00 170 98.77 98.77 4.34e-49 EMBL CAC37685 "neurabin II protein [Homo sapiens]" 96.30 817 100.00 100.00 1.42e-43 EMBL CAD28455 "hypothetical protein [Homo sapiens]" 96.30 420 100.00 100.00 9.18e-46 GB AAB72005 "Spinophilin [Rattus norvegicus]" 96.30 817 100.00 100.00 9.51e-44 GB AAC05183 "neurabin II [Rattus norvegicus]" 96.30 817 100.00 100.00 9.51e-44 GB AAI60878 "Protein phosphatase 1, regulatory subunit 9B [Rattus norvegicus]" 96.30 817 100.00 100.00 9.51e-44 GB AAR91608 "spinophilin [Mus musculus]" 96.30 817 100.00 100.00 1.25e-43 GB EAW94636 "protein phosphatase 1, regulatory subunit 9B, spinophilin, isoform CRA_a [Homo sapiens]" 96.30 577 100.00 100.00 4.17e-44 REF NP_115984 "neurabin-2 [Homo sapiens]" 96.30 817 100.00 100.00 1.35e-43 REF NP_445926 "neurabin-2 [Rattus norvegicus]" 96.30 817 100.00 100.00 9.51e-44 REF NP_758465 "neurabin-2 [Mus musculus]" 96.30 817 100.00 100.00 1.25e-43 REF XP_003131641 "PREDICTED: neurabin-2 [Sus scrofa]" 96.30 818 97.44 100.00 1.56e-42 REF XP_003466916 "PREDICTED: LOW QUALITY PROTEIN: neurabin-2 [Cavia porcellus]" 96.30 824 100.00 100.00 2.13e-43 SP O35274 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Neural tissue-specific F-actin-binding protein II; AltName: " 96.30 817 100.00 100.00 9.51e-44 SP Q6R891 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" 96.30 817 100.00 100.00 1.25e-43 SP Q96SB3 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" 96.30 815 100.00 100.00 1.28e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Spinophilin_PP1_binding_domain 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 $Spinophilin_PP1_binding_domain 'recombinant technology' . Escherichia coli 'BL21 DE3 RIL' pGEX-TEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Spinophilin_PP1_binding_domain 500 uM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Spinophilin_PP1_binding_domain 670 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Spinophilin PP1 binding domain' _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 HIS HA H 4.537 0 . 2 2 2 HIS HB2 H 3.058 0 . 3 2 2 HIS C C 175.112 0 . 4 2 2 HIS CA C 56.384 0 . 5 2 2 HIS CB C 29.745 0 . 6 3 3 MET H H 8.53 0 . 7 3 3 MET HA H 4.185 0 . 8 3 3 MET HB2 H 1.913 0 . 9 3 3 MET HB3 H 1.814 0 . 10 3 3 MET HG2 H 2.187 0 . 11 3 3 MET C C 175.774 0 . 12 3 3 MET CA C 55.629 0 . 13 3 3 MET CB C 32.171 0 . 14 3 3 MET N N 121.531 0 . 15 4 4 ASP HA H 4.463 0 . 16 4 4 ASP HB2 H 2.618 0 . 17 4 4 ASP HB3 H 2.546 0 . 18 4 4 ASP C C 176.201 0 . 19 4 4 ASP CA C 54.658 0 . 20 4 4 ASP CB C 41.015 0 . 21 5 5 GLU H H 8.252 0 . 22 5 5 GLU HA H 4.166 0 . 23 5 5 GLU HB2 H 1.899 0 . 24 5 5 GLU HB3 H 1.811 0 . 25 5 5 GLU HG2 H 2.154 0 . 26 5 5 GLU C C 176.596 0 . 27 5 5 GLU CA C 56.33 0 . 28 5 5 GLU CB C 30.122 0 . 29 5 5 GLU CG C 36.054 0 . 30 5 5 GLU N N 120.203 0 . 31 6 6 GLU H H 8.291 0 . 32 6 6 GLU HA H 4.179 0 . 33 6 6 GLU HB2 H 1.962 0 . 34 6 6 GLU HB3 H 1.827 0 . 35 6 6 GLU HG2 H 2.132 0 . 36 6 6 GLU C C 175.68 0 . 37 6 6 GLU CA C 56.384 0 . 38 6 6 GLU CB C 30.068 0 . 39 6 6 GLU CG C 36.162 0 . 40 6 6 GLU N N 122.69 0 . 41 7 7 ASP H H 8.314 0 . 42 7 7 ASP HA H 4.494 0 . 43 7 7 ASP HB2 H 2.579 0 . 44 7 7 ASP C C 176.626 0 . 45 7 7 ASP CA C 54.497 0 . 46 7 7 ASP CB C 41.069 0 . 47 7 7 ASP N N 121.413 0 . 48 8 8 GLY H H 8.177 0 . 49 8 8 GLY HA2 H 3.892 0 . 50 8 8 GLY HA3 H 3.829 0 . 51 8 8 GLY C C 173.764 0 . 52 8 8 GLY CA C 44.888 0 . 53 8 8 GLY N N 109.147 0 . 54 9 9 GLU H H 8.198 0 . 55 9 9 GLU HA H 4.317 0 . 56 9 9 GLU HB2 H 1.924 0 . 57 9 9 GLU HG2 H 2.143 0 . 58 9 9 GLU CA C 56.422 0 . 59 9 9 GLU CB C 30.338 0 . 60 9 9 GLU N N 121.793 0 . 61 11 10 PRO HA H 4.307 0 . 62 11 10 PRO HB2 H 2.146 0 . 63 11 10 PRO HB3 H 1.932 0 . 64 11 10 PRO C C 176.389 0 . 65 11 10 PRO CA C 62.478 0 . 66 11 10 PRO CB C 31.686 0 . 67 11 10 PRO CD C 50.237 0 . 68 11 10 PRO CG C 27.156 0 . 69 12 12 TYR H H 8.216 0 . 70 12 12 TYR HA H 4.419 0 . 71 12 12 TYR HB2 H 2.931 0 . 72 12 12 TYR HB3 H 2.77 0 . 73 12 12 TYR C C 175.093 0 . 74 12 12 TYR CA C 57.57 0 . 75 12 12 TYR CB C 38.858 0 . 76 12 12 TYR N N 121.628 0 . 77 13 13 GLU H H 8.086 0 . 78 13 13 GLU HA H 4.386 0 . 79 13 13 GLU HB2 H 1.81 0 . 80 13 13 GLU HB3 H 1.677 0 . 81 13 13 GLU HG2 H 2.046 0 . 82 13 13 GLU C C 173.436 0 . 83 13 13 GLU CA C 53.149 0 . 84 13 13 GLU CB C 30.338 0 . 85 13 13 GLU N N 126.258 0 . 86 14 14 PRO HA H 4.185 0 . 87 14 14 PRO HB2 H 2.178 0 . 88 14 14 PRO HB3 H 1.814 0 . 89 14 14 PRO C C 177.075 0 . 90 14 14 PRO CA C 62.693 0 . 91 14 14 PRO CB C 32.01 0 . 92 14 14 PRO CD C 50.398 0 . 93 14 14 PRO CG C 27.102 0 . 94 15 15 GLU H H 8.535 0 . 95 15 15 GLU HA H 4.153 0 . 96 15 15 GLU HB2 H 1.965 0 . 97 15 15 GLU HB3 H 1.857 0 . 98 15 15 GLU HG2 H 2.211 0 . 99 15 15 GLU C C 176.812 0 . 100 15 15 GLU CA C 56.816 0 . 101 15 15 GLU CB C 29.96 0 . 102 15 15 GLU CG C 36.216 0 . 103 15 15 GLU N N 121.172 0 . 104 16 16 SER H H 8.316 0 . 105 16 16 SER HA H 4.316 0 . 106 16 16 SER HB2 H 3.79 0 . 107 16 16 SER C C 175.164 0 . 108 16 16 SER CA C 58.509 0 . 109 16 16 SER CB C 63.826 0 . 110 16 16 SER N N 116.901 0 . 111 17 17 GLY H H 8.374 0 . 112 17 17 GLY HA2 H 3.867 0 . 113 17 17 GLY C C 173.849 0 . 114 17 17 GLY CA C 45.06 0 . 115 17 17 GLY N N 110.874 0 . 116 18 18 CYS H H 8.162 0 . 117 18 18 CYS HA H 4.41 0 . 118 18 18 CYS HB2 H 2.791 0 . 119 18 18 CYS C C 174.511 0 . 120 18 18 CYS CA C 58.487 0 . 121 18 18 CYS CB C 27.965 0 . 122 18 18 CYS N N 119.234 0 . 123 19 19 VAL H H 8.201 0 . 124 19 19 VAL HA H 3.972 0 . 125 19 19 VAL HB H 1.949 0 . 126 19 19 VAL HG1 H 0.805 0 . 127 19 19 VAL HG2 H 0.805 0 . 128 19 19 VAL C C 176.145 0 . 129 19 19 VAL CA C 62.1 0 . 130 19 19 VAL CB C 32.764 0 . 131 19 19 VAL CG1 C 21.063 0 . 132 19 19 VAL CG2 C 20.793 0 . 133 19 19 VAL N N 122.917 0 . 134 20 20 GLU H H 8.42 0 . 135 20 20 GLU HA H 4.198 0 . 136 20 20 GLU HB2 H 1.837 0 . 137 20 20 GLU HB3 H 1.791 0 . 138 20 20 GLU HG2 H 2.14 0 . 139 20 20 GLU C C 175.813 0 . 140 20 20 GLU CA C 56.389 0 . 141 20 20 GLU CB C 30.23 0 . 142 20 20 GLU CG C 36.108 0 . 143 20 20 GLU N N 125.108 0 . 144 21 21 ILE H H 8.303 0 . 145 21 21 ILE HA H 4.198 0 . 146 21 21 ILE HB H 1.755 0 . 147 21 21 ILE HD1 H 0.75 0 . 148 21 21 ILE HG12 H 1.41 0 . 149 21 21 ILE HG13 H 1.04 0 . 150 21 21 ILE HG2 H 0.797 0 . 151 21 21 ILE C C 174.497 0 . 152 21 21 ILE CA C 58.406 0 . 153 21 21 ILE CB C 38.535 0 . 154 21 21 ILE N N 124.931 0 . 155 22 22 PRO HA H 4.307 0 . 156 22 22 PRO HB2 H 2.195 0 . 157 22 22 PRO HB3 H 1.824 0 . 158 22 22 PRO C C 177.418 0 . 159 22 22 PRO CA C 63.341 0 . 160 22 22 PRO CB C 32.209 0 . 161 22 22 PRO CD C 50.938 0 . 162 22 22 PRO CG C 27.21 0 . 163 23 23 GLY H H 8.403 0 . 164 23 23 GLY HA2 H 3.868 0 . 165 23 23 GLY HA3 H 3.782 0 . 166 23 23 GLY C C 174.046 0 . 167 23 23 GLY CA C 45.006 0 . 168 23 23 GLY N N 109.252 0 . 169 24 24 LEU H H 8.06 0 . 170 24 24 LEU HA H 4.284 0 . 171 24 24 LEU HB2 H 1.508 0 . 172 24 24 LEU HD1 H 0.789 0 . 173 24 24 LEU HD2 H 0.789 0 . 174 24 24 LEU HG H 1.284 0 . 175 24 24 LEU C C 177.554 0 . 176 24 24 LEU CA C 55.112 0 . 177 24 24 LEU CB C 42.575 0 . 178 24 24 LEU CD1 C 24.945 0 . 179 24 24 LEU CD2 C 23.435 0 . 180 24 24 LEU CG C 26.833 0 . 181 24 24 LEU N N 121.774 0 . 182 25 25 SER H H 8.384 0 . 183 25 25 SER HA H 4.366 0 . 184 25 25 SER HB2 H 3.775 0 . 185 25 25 SER C C 174.624 0 . 186 25 25 SER CA C 57.993 0 . 187 25 25 SER CB C 63.826 0 . 188 25 25 SER N N 117.272 0 . 189 26 26 GLU H H 8.483 0 . 190 26 26 GLU HA H 4.179 0 . 191 26 26 GLU HB2 H 1.962 0 . 192 26 26 GLU HB3 H 1.827 0 . 193 26 26 GLU HG2 H 2.148 0 . 194 26 26 GLU C C 176.535 0 . 195 26 26 GLU CA C 56.511 0 . 196 26 26 GLU CB C 30.126 0 . 197 26 26 GLU CG C 36.162 0 . 198 26 26 GLU N N 122.976 0 . 199 27 27 GLU H H 8.297 0 . 200 27 27 GLU HA H 4.153 0 . 201 27 27 GLU HB2 H 1.768 0 . 202 27 27 GLU HG2 H 2.148 0 . 203 27 27 GLU C C 175.769 0 . 204 27 27 GLU CA C 56.363 0 . 205 27 27 GLU CB C 30.338 0 . 206 27 27 GLU CG C 36.108 0 . 207 27 27 GLU N N 121.066 0 . 208 28 28 GLU H H 8.224 0 . 209 28 28 GLU HA H 4.123 0 . 210 28 28 GLU HB2 H 1.617 0 . 211 28 28 GLU HG2 H 2.14 0 . 212 28 28 GLU C C 175.887 0 . 213 28 28 GLU CA C 56.492 0 . 214 28 28 GLU CB C 30.436 0 . 215 28 28 GLU CG C 36.108 0 . 216 28 28 GLU N N 121.77 0 . 217 29 29 ASP H H 8.3 0 . 218 29 29 ASP HA H 4.123 0 . 219 29 29 ASP HB2 H 2.603 0 . 220 29 29 ASP HB3 H 2.391 0 . 221 29 29 ASP C C 174.351 0 . 222 29 29 ASP CA C 52.232 0 . 223 29 29 ASP CB C 41.123 0 . 224 29 29 ASP N N 123.155 0 . 225 30 30 PRO HA H 4.317 0 . 226 30 30 PRO HB2 H 2.136 0 . 227 30 30 PRO HB3 H 1.834 0 . 228 30 30 PRO C C 176.694 0 . 229 30 30 PRO CA C 63.058 0 . 230 30 30 PRO CB C 32.063 0 . 231 30 30 PRO CD C 50.398 0 . 232 30 30 PRO CG C 26.887 0 . 233 31 31 ALA H H 8.358 0 . 234 31 31 ALA HA H 3.994 0 . 235 31 31 ALA HB H 1.245 0 . 236 31 31 ALA C C 175.685 0 . 237 31 31 ALA CA C 51.14 0 . 238 31 31 ALA CB C 17.665 0 . 239 31 31 ALA N N 125.3 0 . 240 32 32 PRO HA H 4.287 0 . 241 32 32 PRO HB2 H 2.192 0 . 242 32 32 PRO HB3 H 1.804 0 . 243 32 32 PRO C C 177.474 0 . 244 32 32 PRO CA C 63.664 0 . 245 32 32 PRO CB C 31.74 0 . 246 32 32 PRO CD C 50.344 0 . 247 32 32 PRO CG C 27.48 0 . 248 33 33 SER H H 8.172 0 . 249 33 33 SER HA H 4.253 0 . 250 33 33 SER HB2 H 3.791 0 . 251 33 33 SER HB3 H 3.762 0 . 252 33 33 SER C C 174.835 0 . 253 33 33 SER CA C 58.311 0 . 254 33 33 SER CB C 63.356 0 . 255 33 33 SER N N 114.515 0 . 256 34 34 ARG H H 8.122 0 . 257 34 34 ARG HA H 4.096 0 . 258 34 34 ARG HB2 H 1.661 0 . 259 34 34 ARG HB3 H 1.535 0 . 260 34 34 ARG HG2 H 1.284 0 . 261 34 34 ARG C C 176.108 0 . 262 34 34 ARG CA C 56.175 0 . 263 34 34 ARG CB C 30.297 0 . 264 34 34 ARG N N 122.707 0 . 265 35 35 LYS HA H 4.156 0 . 266 35 35 LYS HB2 H 1.623 0 . 267 35 35 LYS HB3 H 1.604 0 . 268 35 35 LYS C C 176.262 0 . 269 35 35 LYS CA C 56.061 0 . 270 35 35 LYS CB C 32.872 0 . 271 35 35 LYS CD C 28.936 0 . 272 35 35 LYS CE C 41.99 0 . 273 35 35 LYS CG C 24.73 0 . 274 36 36 ILE H H 7.97 0 . 275 36 36 ILE HA H 3.965 0 . 276 36 36 ILE HB H 1.623 0 . 277 36 36 ILE HD1 H 0.569 0 . 278 36 36 ILE HG12 H 1.237 0 . 279 36 36 ILE HG13 H 0.978 0 . 280 36 36 ILE HG2 H 0.616 0 . 281 36 36 ILE C C 175.685 0 . 282 36 36 ILE CA C 60.749 0 . 283 36 36 ILE CB C 38.471 0 . 284 36 36 ILE CD1 C 12.704 0 . 285 36 36 ILE CG1 C 27.102 0 . 286 36 36 ILE CG2 C 17.342 0 . 287 36 36 ILE N N 121.895 0 . 288 37 37 HIS H H 8.289 0 . 289 37 37 HIS HA H 4.512 0 . 290 37 37 HIS HB2 H 2.941 0 . 291 37 37 HIS HB3 H 2.926 0 . 292 37 37 HIS C C 174.438 0 . 293 37 37 HIS CA C 55.648 0 . 294 37 37 HIS CB C 30.392 0 . 295 37 37 HIS N N 123.586 0 . 296 38 38 PHE H H 8.144 0 . 297 38 38 PHE HA H 4.527 0 . 298 38 38 PHE HB2 H 3.003 0 . 299 38 38 PHE HB3 H 2.871 0 . 300 38 38 PHE C C 175.417 0 . 301 38 38 PHE CA C 57.463 0 . 302 38 38 PHE CB C 39.774 0 . 303 38 38 PHE N N 122.484 0 . 304 39 39 SER H H 8.275 0 . 305 39 39 SER HA H 4.379 0 . 306 39 39 SER HB2 H 3.752 0 . 307 39 39 SER HB3 H 3.712 0 . 308 39 39 SER C C 174.403 0 . 309 39 39 SER CA C 57.891 0 . 310 39 39 SER CB C 63.88 0 . 311 39 39 SER N N 117.689 0 . 312 40 40 THR H H 8.127 0 . 313 40 40 THR HA H 4.225 0 . 314 40 40 THR HB H 4.136 0 . 315 40 40 THR HG2 H 1.095 0 . 316 40 40 THR C C 173.905 0 . 317 40 40 THR CA C 61.453 0 . 318 40 40 THR CB C 69.704 0 . 319 40 40 THR CG2 C 21.656 0 . 320 40 40 THR N N 116.094 0 . 321 41 41 ALA H H 8.173 0 . 322 41 41 ALA HA H 4.19 0 . 323 41 41 ALA HB H 1.245 0 . 324 41 41 ALA C C 175.375 0 . 325 41 41 ALA CA C 50.56 0 . 326 41 41 ALA CB C 17.935 0 . 327 41 41 ALA N N 127.98 0 . 328 42 42 PRO HA H 4.313 0 . 329 42 42 PRO HB2 H 2.152 0 . 330 42 42 PRO HB3 H 1.745 0 . 331 42 42 PRO C C 176.779 0 . 332 42 42 PRO CA C 62.791 0 . 333 42 42 PRO CB C 31.848 0 . 334 42 42 PRO CD C 50.344 0 . 335 42 42 PRO CG C 27.264 0 . 336 43 43 ILE H H 8.133 0 . 337 43 43 ILE HA H 3.978 0 . 338 43 43 ILE HB H 1.689 0 . 339 43 43 ILE HD1 H 0.703 0 . 340 43 43 ILE HG12 H 1.362 0 . 341 43 43 ILE HG13 H 1.08 0 . 342 43 43 ILE HG2 H 0.75 0 . 343 43 43 ILE C C 176.126 0 . 344 43 43 ILE CA C 61.02 0 . 345 43 43 ILE CB C 38.642 0 . 346 43 43 ILE CD1 C 12.758 0 . 347 43 43 ILE CG1 C 27.264 0 . 348 43 43 ILE CG2 C 17.396 0 . 349 43 43 ILE N N 121.281 0 . 350 44 44 GLN H H 8.336 0 . 351 44 44 GLN HA H 4.198 0 . 352 44 44 GLN HB2 H 1.778 0 . 353 44 44 GLN HG2 H 2.085 0 . 354 44 44 GLN C C 175.201 0 . 355 44 44 GLN CA C 55.462 0 . 356 44 44 GLN CB C 29.637 0 . 357 44 44 GLN CG C 33.735 0 . 358 44 44 GLN N N 125.038 0 . 359 45 45 VAL H H 8.083 0 . 360 45 45 VAL HA H 3.936 0 . 361 45 45 VAL HB H 1.847 0 . 362 45 45 VAL HG1 H 0.742 0 . 363 45 45 VAL HG2 H 0.742 0 . 364 45 45 VAL C C 175.619 0 . 365 45 45 VAL CA C 61.938 0 . 366 45 45 VAL CB C 32.872 0 . 367 45 45 VAL CG1 C 20.901 0 . 368 45 45 VAL CG2 C 20.842 0 . 369 45 45 VAL N N 122.248 0 . 370 46 46 PHE H H 8.319 0 . 371 46 46 PHE HA H 4.514 0 . 372 46 46 PHE HB2 H 2.954 0 . 373 46 46 PHE HB3 H 2.822 0 . 374 46 46 PHE C C 175.6 0 . 375 46 46 PHE CA C 57.355 0 . 376 46 46 PHE CB C 39.721 0 . 377 46 46 PHE N N 124.308 0 . 378 47 47 SER H H 8.235 0 . 379 47 47 SER HA H 4.369 0 . 380 47 47 SER HB2 H 3.709 0 . 381 47 47 SER HB3 H 3.65 0 . 382 47 47 SER C C 174.295 0 . 383 47 47 SER CA C 57.83 0 . 384 47 47 SER CB C 63.88 0 . 385 47 47 SER N N 117.613 0 . 386 48 48 THR H H 8.063 0 . 387 48 48 THR HA H 4.202 0 . 388 48 48 THR HB H 4.064 0 . 389 48 48 THR HG2 H 1.009 0 . 390 48 48 THR C C 174.079 0 . 391 48 48 THR CA C 61.7 0 . 392 48 48 THR CB C 69.704 0 . 393 48 48 THR CG2 C 21.494 0 . 394 48 48 THR N N 115.765 0 . 395 49 49 TYR H H 8.1 0 . 396 49 49 TYR HA H 4.507 0 . 397 49 49 TYR HB2 H 2.95 0 . 398 49 49 TYR HB3 H 2.819 0 . 399 49 49 TYR C C 175.619 0 . 400 49 49 TYR CA C 57.786 0 . 401 49 49 TYR CB C 38.804 0 . 402 49 49 TYR N N 122.215 0 . 403 50 50 SER H H 8.208 0 . 404 50 50 SER HA H 4.33 0 . 405 50 50 SER HB2 H 3.742 0 . 406 50 50 SER HB3 H 3.686 0 . 407 50 50 SER C C 174.051 0 . 408 50 50 SER CA C 57.788 0 . 409 50 50 SER CB C 63.88 0 . 410 50 50 SER N N 117.829 0 . 411 51 51 ASN H H 8.381 0 . 412 51 51 ASN HA H 4.553 0 . 413 51 51 ASN HB2 H 2.737 0 . 414 51 51 ASN HB3 H 2.661 0 . 415 51 51 ASN C C 175.37 0 . 416 51 51 ASN CA C 53.58 0 . 417 51 51 ASN CB C 38.696 0 . 418 51 51 ASN N N 121.159 0 . 419 52 52 GLU H H 8.327 0 . 420 52 52 GLU HA H 4.097 0 . 421 52 52 GLU HB2 H 1.883 0 . 422 52 52 GLU HB3 H 1.745 0 . 423 52 52 GLU HG2 H 2.101 0 . 424 52 52 GLU C C 176.187 0 . 425 52 52 GLU CA C 56.977 0 . 426 52 52 GLU CB C 29.96 0 . 427 52 52 GLU CG C 36.216 0 . 428 52 52 GLU N N 120.621 0 . 429 53 53 ASP H H 8.134 0 . 430 53 53 ASP HA H 4.438 0 . 431 53 53 ASP HB2 H 2.53 0 . 432 53 53 ASP HB3 H 2.461 0 . 433 53 53 ASP C C 176.227 0 . 434 53 53 ASP CA C 54.605 0 . 435 53 53 ASP CB C 40.853 0 . 436 53 53 ASP N N 120.528 0 . 437 54 54 TYR H H 7.859 0 . 438 54 54 TYR HA H 4.313 0 . 439 54 54 TYR HB2 H 2.933 0 . 440 54 54 TYR HB3 H 2.878 0 . 441 54 54 TYR C C 175.738 0 . 442 54 54 TYR CA C 58.237 0 . 443 54 54 TYR CB C 38.535 0 . 444 54 54 TYR N N 120.534 0 . 445 55 55 ASP H H 8.18 0 . 446 55 55 ASP HA H 4.412 0 . 447 55 55 ASP HB2 H 2.576 0 . 448 55 55 ASP HB3 H 2.461 0 . 449 55 55 ASP C C 176.144 0 . 450 55 55 ASP CA C 54.605 0 . 451 55 55 ASP CB C 40.799 0 . 452 55 55 ASP N N 121.317 0 . 453 56 56 ARG H H 7.937 0 . 454 56 56 ARG HA H 4.156 0 . 455 56 56 ARG HB2 H 1.765 0 . 456 56 56 ARG HB3 H 1.623 0 . 457 56 56 ARG HD2 H 3.043 0 . 458 56 56 ARG HG2 H 1.488 0 . 459 56 56 ARG C C 176.544 0 . 460 56 56 ARG CA C 56.276 0 . 461 56 56 ARG CB C 30.23 0 . 462 56 56 ARG CD C 43.118 0 . 463 56 56 ARG CG C 27.156 0 . 464 56 56 ARG N N 121.494 0 . 465 57 57 ARG H H 8.187 0 . 466 57 57 ARG HA H 4.149 0 . 467 57 57 ARG HB2 H 1.702 0 . 468 57 57 ARG HB3 H 1.679 0 . 469 57 57 ARG HD2 H 2.926 0 . 470 57 57 ARG HG2 H 1.488 0 . 471 57 57 ARG C C 176.375 0 . 472 57 57 ARG CA C 56.546 0 . 473 57 57 ARG CB C 30.354 0 . 474 57 57 ARG CD C 43.118 0 . 475 57 57 ARG CG C 26.833 0 . 476 57 57 ARG N N 121.598 0 . 477 58 58 ASN H H 8.374 0 . 478 58 58 ASN HA H 4.559 0 . 479 58 58 ASN HB2 H 2.721 0 . 480 58 58 ASN HB3 H 2.596 0 . 481 58 58 ASN C C 176.356 0 . 482 58 58 ASN CA C 53.418 0 . 483 58 58 ASN CB C 38.75 0 . 484 58 58 ASN N N 119.388 0 . 485 59 59 GLU HA H 4.166 0 . 486 59 59 GLU HB2 H 1.975 0 . 487 59 59 GLU HB3 H 1.807 0 . 488 59 59 GLU C C 176.084 0 . 489 59 59 GLU CA C 56.384 0 . 490 59 59 GLU CB C 30.068 0 . 491 59 59 GLU CG C 36.162 0 . 492 60 60 ASP H H 8.238 0 . 493 60 60 ASP HA H 4.501 0 . 494 60 60 ASP HB2 H 2.589 0 . 495 60 60 ASP HB3 H 2.487 0 . 496 60 60 ASP C C 175.934 0 . 497 60 60 ASP CA C 54.392 0 . 498 60 60 ASP CB C 40.961 0 . 499 60 60 ASP N N 121.32 0 . 500 61 61 VAL H H 7.888 0 . 501 61 61 VAL HA H 3.969 0 . 502 61 61 VAL HB H 1.922 0 . 503 61 61 VAL HG1 H 0.789 0 . 504 61 61 VAL HG2 H 0.789 0 . 505 61 61 VAL C C 175.549 0 . 506 61 61 VAL CA C 61.741 0 . 507 61 61 VAL CB C 33.034 0 . 508 61 61 VAL CG1 C 20.628 0 . 509 61 61 VAL CG2 C 20.981 0 . 510 61 61 VAL N N 119.791 0 . 511 62 62 ASP H H 8.426 0 . 512 62 62 ASP HA H 4.732 0 . 513 62 62 ASP HB2 H 2.682 0 . 514 62 62 ASP HB3 H 2.47 0 . 515 62 62 ASP C C 175.229 0 . 516 62 62 ASP CA C 51.757 0 . 517 62 62 ASP CB C 41.339 0 . 518 62 62 ASP N N 126.047 0 . 519 63 63 PRO HA H 4.287 0 . 520 63 63 PRO HB2 H 2.224 0 . 521 63 63 PRO HB3 H 1.85 0 . 522 63 63 PRO C C 177.676 0 . 523 63 63 PRO CA C 63.799 0 . 524 63 63 PRO CB C 32.117 0 . 525 63 63 PRO CD C 50.884 0 . 526 63 63 PRO CG C 27.21 0 . 527 64 64 MET H H 8.345 0 . 528 64 64 MET HA H 4.33 0 . 529 64 64 MET HB2 H 1.991 0 . 530 64 64 MET HB3 H 1.968 0 . 531 64 64 MET HG2 H 2.509 0 . 532 64 64 MET HG3 H 2.384 0 . 533 64 64 MET C C 176.751 0 . 534 64 64 MET CA C 55.318 0 . 535 64 64 MET CB C 31.855 0 . 536 64 64 MET CG C 32.367 0 . 537 64 64 MET N N 118.011 0 . 538 65 65 ALA H H 7.786 0 . 539 65 65 ALA HA H 4.097 0 . 540 65 65 ALA HB H 1.308 0 . 541 65 65 ALA C C 177.839 0 . 542 65 65 ALA CA C 52.869 0 . 543 65 65 ALA CB C 18.906 0 . 544 65 65 ALA N N 124.294 0 . 545 66 66 ALA H H 8.088 0 . 546 66 66 ALA HA H 4.195 0 . 547 66 66 ALA HB H 1.288 0 . 548 66 66 ALA C C 178.037 0 . 549 66 66 ALA CA C 52.723 0 . 550 66 66 ALA CB C 18.977 0 . 551 66 66 ALA N N 122.755 0 . 552 67 67 SER H H 8.083 0 . 553 67 67 SER HA H 4.287 0 . 554 67 67 SER HB2 H 3.821 0 . 555 67 67 SER HB3 H 3.765 0 . 556 67 67 SER C C 174.685 0 . 557 67 67 SER CA C 58.221 0 . 558 67 67 SER CB C 63.718 0 . 559 67 67 SER N N 114.854 0 . 560 68 68 ALA H H 8.238 0 . 561 68 68 ALA HA H 4.182 0 . 562 68 68 ALA HB H 1.269 0 . 563 68 68 ALA C C 178.108 0 . 564 68 68 ALA CA C 52.933 0 . 565 68 68 ALA CB C 18.959 0 . 566 68 68 ALA N N 126.11 0 . 567 69 69 GLU H H 8.219 0 . 568 69 69 GLU HA H 4.047 0 . 569 69 69 GLU HB2 H 1.834 0 . 570 69 69 GLU HB3 H 1.788 0 . 571 69 69 GLU HG2 H 2.062 0 . 572 69 69 GLU C C 176.626 0 . 573 69 69 GLU CA C 57.139 0 . 574 69 69 GLU CB C 29.906 0 . 575 69 69 GLU CG C 36.162 0 . 576 69 69 GLU N N 119.238 0 . 577 70 70 TYR H H 7.894 0 . 578 70 70 TYR HA H 4.412 0 . 579 70 70 TYR HB2 H 2.97 0 . 580 70 70 TYR HB3 H 2.881 0 . 581 70 70 TYR C C 176.019 0 . 582 70 70 TYR CA C 57.981 0 . 583 70 70 TYR CB C 38.642 0 . 584 70 70 TYR N N 120.226 0 . 585 71 71 GLU H H 8.11 0 . 586 71 71 GLU HA H 4.074 0 . 587 71 71 GLU HB2 H 1.903 0 . 588 71 71 GLU HB3 H 1.824 0 . 589 71 71 GLU HG2 H 2.101 0 . 590 71 71 GLU C C 176.694 0 . 591 71 71 GLU CA C 56.718 0 . 592 71 71 GLU CB C 30.045 0 . 593 71 71 GLU CG C 36.162 0 . 594 71 71 GLU N N 121.536 0 . 595 72 72 LEU H H 7.996 0 . 596 72 72 LEU HA H 4.09 0 . 597 72 72 LEU HB2 H 1.564 0 . 598 72 72 LEU HB3 H 1.492 0 . 599 72 72 LEU HD1 H 0.789 0 . 600 72 72 LEU HD2 H 0.789 0 . 601 72 72 LEU HG H 1.276 0 . 602 72 72 LEU C C 177.817 0 . 603 72 72 LEU CA C 56.061 0 . 604 72 72 LEU CB C 42.148 0 . 605 72 72 LEU CD1 C 24.783 0 . 606 72 72 LEU CD2 C 23.597 0 . 607 72 72 LEU CG C 26.833 0 . 608 72 72 LEU N N 122.508 0 . 609 73 73 GLU H H 8.197 0 . 610 73 73 GLU HA H 4.074 0 . 611 73 73 GLU HB2 H 1.889 0 . 612 73 73 GLU HG2 H 2.121 0 . 613 73 73 GLU C C 176.601 0 . 614 73 73 GLU CA C 56.977 0 . 615 73 73 GLU CB C 29.96 0 . 616 73 73 GLU CG C 36.17 0 . 617 73 73 GLU N N 120.435 0 . 618 74 74 LYS H H 8.06 0 . 619 74 74 LYS HA H 4.146 0 . 620 74 74 LYS HB2 H 1.673 0 . 621 74 74 LYS HB3 H 1.627 0 . 622 74 74 LYS HD2 H 1.518 0 . 623 74 74 LYS HG2 H 1.265 0 . 624 74 74 LYS C C 176.517 0 . 625 74 74 LYS CA C 56.183 0 . 626 74 74 LYS CB C 32.657 0 . 627 74 74 LYS CD C 28.882 0 . 628 74 74 LYS CE C 41.986 0 . 629 74 74 LYS CG C 24.568 0 . 630 74 74 LYS N N 121.86 0 . 631 75 75 ARG H H 8.18 0 . 632 75 75 ARG HA H 4.208 0 . 633 75 75 ARG HB2 H 1.692 0 . 634 75 75 ARG HB3 H 1.663 0 . 635 75 75 ARG HD2 H 2.879 0 . 636 75 75 ARG HG2 H 1.474 0 . 637 75 75 ARG C C 176.328 0 . 638 75 75 ARG CA C 56.162 0 . 639 75 75 ARG CB C 30.715 0 . 640 75 75 ARG CD C 43.172 0 . 641 75 75 ARG CG C 27.156 0 . 642 75 75 ARG N N 122.762 0 . 643 76 76 VAL H H 8.134 0 . 644 76 76 VAL HA H 3.965 0 . 645 76 76 VAL HB H 1.955 0 . 646 76 76 VAL HG1 H 0.828 0 . 647 76 76 VAL HG2 H 0.828 0 . 648 76 76 VAL C C 176.122 0 . 649 76 76 VAL CA C 62.878 0 . 650 76 76 VAL CB C 32.02 0 . 651 76 76 VAL CG1 C 21.032 0 . 652 76 76 VAL CG2 C 20.846 0 . 653 76 76 VAL N N 122.091 0 . 654 77 77 GLU H H 8.371 0 . 655 77 77 GLU HA H 4.328 0 . 656 77 77 GLU HB2 H 1.978 0 . 657 77 77 GLU HB3 H 1.834 0 . 658 77 77 GLU HG2 H 2.132 0 . 659 77 77 GLU C C 175.699 0 . 660 77 77 GLU CA C 55.427 0 . 661 77 77 GLU CB C 30.392 0 . 662 77 77 GLU CG C 36.144 0 . 663 77 77 GLU N N 125.322 0 . 664 78 78 ARG H H 8.258 0 . 665 78 78 ARG HA H 4.238 0 . 666 78 78 ARG HB2 H 1.732 0 . 667 78 78 ARG HB3 H 1.643 0 . 668 78 78 ARG HG2 H 1.488 0 . 669 78 78 ARG C C 175.776 0 . 670 78 78 ARG CA C 55.737 0 . 671 78 78 ARG CB C 30.823 0 . 672 78 78 ARG CD C 43.28 0 . 673 78 78 ARG CG C 27.156 0 . 674 78 78 ARG N N 120.795 0 . 675 79 79 LEU H H 8.268 0 . 676 79 79 LEU HA H 4.258 0 . 677 79 79 LEU HB2 H 1.522 0 . 678 79 79 LEU HB3 H 1.466 0 . 679 79 79 LEU HD1 H 0.781 0 . 680 79 79 LEU HD2 H 0.781 0 . 681 79 79 LEU C C 176.957 0 . 682 79 79 LEU CA C 54.989 0 . 683 79 79 LEU CB C 42.309 0 . 684 79 79 LEU CD1 C 24.783 0 . 685 79 79 LEU CD2 C 23.435 0 . 686 79 79 LEU CG C 26.994 0 . 687 79 79 LEU N N 124.45 0 . 688 80 80 GLU H H 8.302 0 . 689 80 80 GLU HA H 4.228 0 . 690 80 80 GLU HB2 H 1.955 0 . 691 80 80 GLU HB3 H 1.791 0 . 692 80 80 GLU HG2 H 2.14 0 . 693 80 80 GLU C C 175.159 0 . 694 80 80 GLU CA C 56.114 0 . 695 80 80 GLU CB C 30.23 0 . 696 80 80 GLU CG C 36.054 0 . 697 80 80 GLU N N 122.632 0 . 698 81 81 LEU H H 7.811 0 . 699 81 81 LEU HA H 4.19 0 . 700 81 81 LEU HB2 H 1.472 0 . 701 81 81 LEU C C 177.272 0 . 702 81 81 LEU CA C 56.533 0 . 703 81 81 LEU CB C 43.334 0 . 704 81 81 LEU N N 129.324 0 . stop_ save_