data_16967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of MAST2-PDZ complexed with the C-terminus of PTEN ; _BMRB_accession_number 16967 _BMRB_flat_file_name bmr16967.str _Entry_type original _Submission_date 2010-06-01 _Accession_date 2010-06-01 _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 TERRIEN Elouan . . 2 WOLFF Nicolas . . 3 CORDIER Florence . . 4 SIMENEL Catherine . . 5 LAFON Monique . . 6 DELEPIERRE Muriel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 406 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interference with the PTEN-MAST2 Interaction by a Viral Protein Leads to Cellular Relocalization of PTEN.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22894835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Terrien Elouan . . 2 Chaffotte Alain . . 3 Lafage Mireille . . 4 Khan Zakir . . 5 Prehaud Christophe . . 6 Cordier Florence . . 7 Simenel Catherine . . 8 Delepierre Muriel . . 9 Buc Henri . . 10 Lafon Monique . . 11 Wolff Nicolas . . stop_ _Journal_abbreviation 'Sci. Signal.' _Journal_name_full 'Science signaling' _Journal_volume 5 _Journal_issue 237 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first ra58 _Page_last ra58 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MAST2-PDZ/PTEN-C_Terminus _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MAST2-PDZ _Molecular_mass 10452.032 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GGSMRPPIIIHRAGKKYGFT LRAIRVYMGDSDVYTVHHMV WHVEDGGPASEAGLRQGDLI THVNGEPVHGLVHTEVVELI LKSGNKVAISTTPLEN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 MET 5 ARG 6 PRO 7 PRO 8 ILE 9 ILE 10 ILE 11 HIS 12 ARG 13 ALA 14 GLY 15 LYS 16 LYS 17 TYR 18 GLY 19 PHE 20 THR 21 LEU 22 ARG 23 ALA 24 ILE 25 ARG 26 VAL 27 TYR 28 MET 29 GLY 30 ASP 31 SER 32 ASP 33 VAL 34 TYR 35 THR 36 VAL 37 HIS 38 HIS 39 MET 40 VAL 41 TRP 42 HIS 43 VAL 44 GLU 45 ASP 46 GLY 47 GLY 48 PRO 49 ALA 50 SER 51 GLU 52 ALA 53 GLY 54 LEU 55 ARG 56 GLN 57 GLY 58 ASP 59 LEU 60 ILE 61 THR 62 HIS 63 VAL 64 ASN 65 GLY 66 GLU 67 PRO 68 VAL 69 HIS 70 GLY 71 LEU 72 VAL 73 HIS 74 THR 75 GLU 76 VAL 77 VAL 78 GLU 79 LEU 80 ILE 81 LEU 82 LYS 83 SER 84 GLY 85 ASN 86 LYS 87 VAL 88 ALA 89 ILE 90 SER 91 THR 92 THR 93 PRO 94 LEU 95 GLU 96 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 15972 Mast205 100.00 96 100.00 100.00 6.65e-62 PDB 2KQF "Solution Structure Of Mast205-Pdz Complexed With The C-Terminus Of A Rabies Virus G Protein" 100.00 96 100.00 100.00 6.65e-62 PDB 2KYL "Solution Structure Of Mast2-Pdz Complexed With The C-Terminus Of Pten" 100.00 96 100.00 100.00 6.65e-62 DBJ BAA34527 "KIAA0807 protein [Homo sapiens]" 98.96 1329 100.00 100.00 5.52e-56 DBJ BAB40778 "MAST205 [Homo sapiens]" 98.96 1734 100.00 100.00 3.70e-56 EMBL CAD38775 "hypothetical protein [Homo sapiens]" 98.96 966 100.00 100.00 1.97e-55 GB AAH65499 "Microtubule associated serine/threonine kinase 2 [Homo sapiens]" 98.96 1797 100.00 100.00 2.69e-56 GB EAX06948 "microtubule associated serine/threonine kinase 2, isoform CRA_a [Homo sapiens]" 98.96 1797 100.00 100.00 2.69e-56 GB EAX06949 "microtubule associated serine/threonine kinase 2, isoform CRA_b [Homo sapiens]" 98.96 1798 100.00 100.00 2.69e-56 GB EFB27522 "hypothetical protein PANDA_008139, partial [Ailuropoda melanoleuca]" 97.92 1629 97.87 100.00 8.93e-55 GB EHB01606 "Microtubule-associated serine/threonine-protein kinase 2, partial [Heterocephalus glaber]" 98.96 1642 97.89 98.95 6.94e-55 REF NP_055927 "microtubule-associated serine/threonine-protein kinase 2 [Homo sapiens]" 98.96 1798 100.00 100.00 2.69e-56 REF XP_001105315 "PREDICTED: microtubule-associated serine/threonine-protein kinase 2 isoform 9 [Macaca mulatta]" 98.96 1794 98.95 100.00 9.95e-56 REF XP_002810932 "PREDICTED: LOW QUALITY PROTEIN: microtubule-associated serine/threonine-protein kinase 2 [Pongo abelii]" 98.96 1798 100.00 100.00 2.72e-56 REF XP_004025774 "PREDICTED: microtubule-associated serine/threonine-protein kinase 2, partial [Gorilla gorilla gorilla]" 98.96 1607 100.00 100.00 3.11e-56 REF XP_004285802 "PREDICTED: microtubule-associated serine/threonine-protein kinase 2 isoform X1 [Orcinus orca]" 97.92 1802 97.87 98.94 3.12e-54 SP Q6P0Q8 "RecName: Full=Microtubule-associated serine/threonine-protein kinase 2" 98.96 1798 100.00 100.00 2.69e-56 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTEN-C_Terminus _Molecular_mass 1559.692 _Mol_thiol_state 'not present' _Details . _Residue_count 13 _Mol_residue_sequence PFDEDQHTQITKV loop_ _Residue_seq_code _Residue_label 1 PRO 2 PHE 3 ASP 4 GLU 5 ASP 6 GLN 7 HIS 8 THR 9 GLN 10 ILE 11 THR 12 LYS 13 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . . . . pDEST15 $entity_2 'chemical synthesis' . . . . . 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 $entity_1 0.6 mM '[U-100% 13C; U-100% 15N]' $entity_2 1.2 mM 'natural abundance' Tris-HCL 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_13C-selected/12C,14N-selected_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-selected/12C,14N-selected NOESY' _Sample_label $sample_1 save_ save_3D_15N-selected/12C,14N-selected_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-selected/12C,14N-selected NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.5 . pH pressure 1 . atm 'ionic strength' 0.2 . M 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 H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 external 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 $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 GLY HA2 H 4.423 0.01 2 2 2 2 GLY HA3 H 4.423 0.01 2 3 2 2 GLY C C 177.831 0.3 1 4 2 2 GLY CA C 54.080 0.3 1 5 3 3 SER H H 7.812 0.01 1 6 3 3 SER HA H 4.397 0.01 1 7 3 3 SER HB2 H 3.781 0.01 2 8 3 3 SER HB3 H 3.781 0.01 2 9 3 3 SER CA C 58.099 0.3 1 10 3 3 SER CB C 63.925 0.01 1 11 3 3 SER N N 114.793 0.3 1 12 4 4 MET H H 8.356 0.01 1 13 4 4 MET HA H 4.316 0.01 1 14 4 4 MET HB2 H 2.270 0.01 2 15 4 4 MET HB3 H 2.336 0.01 2 16 4 4 MET HG2 H 1.734 0.01 2 17 4 4 MET HG3 H 1.866 0.01 2 18 4 4 MET C C 175.808 0.3 1 19 4 4 MET CA C 55.638 0.3 1 20 4 4 MET CB C 33.388 0.3 1 21 4 4 MET CG C 31.489 0.3 1 22 4 4 MET N N 122.558 0.3 1 23 5 5 ARG H H 8.480 0.01 1 24 5 5 ARG HA H 4.542 0.01 1 25 5 5 ARG HB2 H 1.777 0.01 2 26 5 5 ARG HB3 H 1.838 0.01 2 27 5 5 ARG HD2 H 3.254 0.01 2 28 5 5 ARG HD3 H 3.254 0.01 2 29 5 5 ARG HG2 H 1.691 0.01 2 30 5 5 ARG HG3 H 1.691 0.01 2 31 5 5 ARG C C 175.824 0.3 1 32 5 5 ARG CA C 54.386 0.3 1 33 5 5 ARG CB C 30.061 0.3 1 34 5 5 ARG CD C 43.643 0.3 1 35 5 5 ARG CG C 27.392 0.3 1 36 5 5 ARG N N 125.309 0.3 1 37 6 6 PRO HA H 4.563 0.01 1 38 6 6 PRO HB2 H 1.818 0.01 2 39 6 6 PRO HB3 H 2.316 0.01 2 40 6 6 PRO HD2 H 3.568 0.01 2 41 6 6 PRO HD3 H 3.786 0.01 2 42 6 6 PRO HG2 H 2.045 0.01 2 43 6 6 PRO HG3 H 1.956 0.01 2 44 6 6 PRO CA C 61.401 0.01 1 45 6 6 PRO CB C 30.880 0.3 1 46 6 6 PRO CD C 50.316 0.3 1 47 6 6 PRO CG C 27.474 0.3 1 48 7 7 PRO HA H 4.407 0.01 1 49 7 7 PRO HB2 H 1.399 0.01 2 50 7 7 PRO HB3 H 1.921 0.01 2 51 7 7 PRO HD2 H 3.586 0.01 2 52 7 7 PRO HD3 H 3.586 0.01 2 53 7 7 PRO HG2 H 1.782 0.01 2 54 7 7 PRO HG3 H 1.863 0.01 2 55 7 7 PRO C C 175.856 0.3 1 56 7 7 PRO CA C 62.611 0.3 1 57 7 7 PRO CB C 32.157 0.3 1 58 7 7 PRO CD C 50.488 0.3 1 59 7 7 PRO CG C 26.708 0.3 1 60 8 8 ILE H H 8.734 0.01 1 61 8 8 ILE HA H 4.055 0.01 1 62 8 8 ILE HB H 1.782 0.01 1 63 8 8 ILE HD1 H 0.669 0.01 1 64 8 8 ILE HG12 H 1.212 0.01 2 65 8 8 ILE HG13 H 1.414 0.01 2 66 8 8 ILE HG2 H 0.610 0.01 1 67 8 8 ILE C C 175.061 0.3 1 68 8 8 ILE CA C 60.253 0.3 1 69 8 8 ILE CB C 38.514 0.3 1 70 8 8 ILE CD1 C 12.814 0.3 1 71 8 8 ILE CG1 C 27.448 0.3 1 72 8 8 ILE CG2 C 18.245 0.3 1 73 8 8 ILE N N 122.255 0.3 1 74 9 9 ILE H H 8.471 0.01 1 75 9 9 ILE HA H 4.672 0.01 1 76 9 9 ILE HB H 1.819 0.01 1 77 9 9 ILE HD1 H 0.688 0.01 1 78 9 9 ILE HG12 H 1.099 0.01 2 79 9 9 ILE HG13 H 1.365 0.01 2 80 9 9 ILE HG2 H 0.524 0.01 1 81 9 9 ILE C C 174.928 0.3 1 82 9 9 ILE CA C 59.637 0.3 1 83 9 9 ILE CB C 37.079 0.3 1 84 9 9 ILE CD1 C 11.981 0.3 1 85 9 9 ILE CG1 C 27.431 0.3 1 86 9 9 ILE CG2 C 17.532 0.3 1 87 9 9 ILE N N 128.618 0.3 1 88 10 10 ILE H H 8.841 0.01 1 89 10 10 ILE HA H 4.257 0.01 1 90 10 10 ILE HB H 1.558 0.01 1 91 10 10 ILE HD1 H 0.485 0.01 1 92 10 10 ILE HG12 H 1.530 0.01 2 93 10 10 ILE HG13 H 0.526 0.01 2 94 10 10 ILE HG2 H 1.009 0.01 1 95 10 10 ILE C C 174.734 0.3 1 96 10 10 ILE CA C 60.236 0.3 1 97 10 10 ILE CB C 39.401 0.3 1 98 10 10 ILE CD1 C 14.883 0.3 1 99 10 10 ILE CG1 C 27.405 0.3 1 100 10 10 ILE CG2 C 20.351 0.3 1 101 10 10 ILE N N 126.248 0.3 1 102 11 11 HIS H H 8.616 0.01 1 103 11 11 HIS HA H 5.092 0.01 1 104 11 11 HIS HB2 H 2.971 0.01 2 105 11 11 HIS HB3 H 3.085 0.01 2 106 11 11 HIS HD2 H 6.949 0.01 1 107 11 11 HIS HE1 H 7.635 0.01 1 108 11 11 HIS C C 175.053 0.3 1 109 11 11 HIS CA C 55.638 0.3 1 110 11 11 HIS CB C 31.565 0.3 1 111 11 11 HIS CD2 C 120.559 0.3 1 112 11 11 HIS CE1 C 138.026 0.3 1 113 11 11 HIS N N 126.728 0.3 1 114 12 12 ARG H H 8.439 0.01 1 115 12 12 ARG HA H 3.891 0.01 1 116 12 12 ARG HB2 H 1.223 0.01 2 117 12 12 ARG HB3 H 1.290 0.01 2 118 12 12 ARG HD2 H 2.037 0.01 2 119 12 12 ARG HD3 H 2.568 0.01 2 120 12 12 ARG HG2 H 0.708 0.01 2 121 12 12 ARG HG3 H 0.921 0.01 2 122 12 12 ARG HH11 H 6.618 0.01 2 123 12 12 ARG HH12 H 6.975 0.01 2 124 12 12 ARG HH21 H 6.618 0.01 2 125 12 12 ARG HH22 H 6.975 0.01 2 126 12 12 ARG C C 175.214 0.3 1 127 12 12 ARG CA C 56.254 0.3 1 128 12 12 ARG CB C 31.542 0.3 1 129 12 12 ARG CD C 43.435 0.3 1 130 12 12 ARG CG C 26.462 0.3 1 131 12 12 ARG N N 122.705 0.3 1 132 12 12 ARG NH1 N 110.529 0.3 1 133 12 12 ARG NH2 N 110.529 0.3 1 134 13 13 ALA H H 8.288 0.01 1 135 13 13 ALA HA H 4.538 0.01 1 136 13 13 ALA HB H 1.323 0.01 1 137 13 13 ALA CA C 51.820 0.3 1 138 13 13 ALA CB C 19.694 0.3 1 139 13 13 ALA N N 127.209 0.3 1 140 14 14 GLY H H 8.394 0.01 1 141 14 14 GLY HA2 H 3.843 0.01 2 142 14 14 GLY HA3 H 3.843 0.01 2 143 14 14 GLY CA C 45.949 0.3 1 144 14 14 GLY N N 111.454 0.3 1 145 15 15 LYS HA H 3.967 0.01 1 146 15 15 LYS HB2 H 1.886 0.01 2 147 15 15 LYS HB3 H 1.752 0.01 2 148 15 15 LYS HD2 H 1.604 0.01 2 149 15 15 LYS HD3 H 1.604 0.01 2 150 15 15 LYS HE2 H 2.923 0.01 2 151 15 15 LYS HE3 H 2.923 0.01 2 152 15 15 LYS HG2 H 1.313 0.01 2 153 15 15 LYS HG3 H 1.400 0.01 2 154 15 15 LYS C C 176.377 0.3 1 155 15 15 LYS CA C 57.074 0.3 1 156 15 15 LYS CB C 33.080 0.3 1 157 15 15 LYS CD C 28.933 0.3 1 158 15 15 LYS CE C 42.254 0.3 1 159 15 15 LYS CG C 25.178 0.3 1 160 16 16 LYS H H 7.576 0.01 1 161 16 16 LYS HA H 4.582 0.01 1 162 16 16 LYS HB2 H 1.747 0.01 2 163 16 16 LYS HB3 H 1.896 0.01 2 164 16 16 LYS HD2 H 1.379 0.01 2 165 16 16 LYS HD3 H 1.379 0.01 2 166 16 16 LYS HE2 H 2.854 0.01 2 167 16 16 LYS HE3 H 2.854 0.01 2 168 16 16 LYS HG2 H 1.215 0.01 2 169 16 16 LYS HG3 H 1.215 0.01 2 170 16 16 LYS C C 175.709 0.3 1 171 16 16 LYS CA C 54.591 0.3 1 172 16 16 LYS CB C 35.295 0.3 1 173 16 16 LYS CD C 28.631 0.3 1 174 16 16 LYS CE C 41.989 0.3 1 175 16 16 LYS CG C 24.408 0.3 1 176 16 16 LYS N N 117.203 0.3 1 177 17 17 TYR H H 11.638 0.01 1 178 17 17 TYR HA H 4.385 0.01 1 179 17 17 TYR HB2 H 2.703 0.01 2 180 17 17 TYR HB3 H 3.053 0.01 2 181 17 17 TYR HD1 H 6.861 0.01 3 182 17 17 TYR HD2 H 6.861 0.01 3 183 17 17 TYR HE1 H 6.596 0.01 3 184 17 17 TYR HE2 H 6.596 0.01 3 185 17 17 TYR C C 177.000 0.3 1 186 17 17 TYR CA C 60.663 0.3 1 187 17 17 TYR CB C 39.950 0.3 1 188 17 17 TYR CD1 C 132.350 0.3 3 189 17 17 TYR CD2 C 132.350 0.3 3 190 17 17 TYR CE1 C 119.215 0.3 3 191 17 17 TYR CE2 C 119.215 0.3 3 192 17 17 TYR N N 123.067 0.3 1 193 18 18 GLY H H 9.492 0.01 1 194 18 18 GLY HA2 H 4.044 0.01 2 195 18 18 GLY HA3 H 4.235 0.01 2 196 18 18 GLY C C 176.166 0.3 1 197 18 18 GLY CA C 47.025 0.3 1 198 18 18 GLY N N 107.256 0.3 1 199 19 19 PHE H H 8.038 0.01 1 200 19 19 PHE HA H 5.389 0.01 1 201 19 19 PHE HB2 H 2.807 0.01 2 202 19 19 PHE HB3 H 3.347 0.01 2 203 19 19 PHE HD1 H 6.828 0.01 3 204 19 19 PHE HD2 H 6.828 0.01 3 205 19 19 PHE HE1 H 6.728 0.01 3 206 19 19 PHE HE2 H 6.728 0.01 3 207 19 19 PHE C C 171.388 0.3 1 208 19 19 PHE CA C 56.664 0.3 1 209 19 19 PHE CB C 41.386 0.3 1 210 19 19 PHE CD1 C 132.652 0.3 3 211 19 19 PHE CD2 C 132.652 0.3 3 212 19 19 PHE CE1 C 129.964 0.3 3 213 19 19 PHE CE2 C 129.964 0.3 3 214 19 19 PHE N N 117.713 0.3 1 215 20 20 THR H H 9.271 0.01 1 216 20 20 THR HA H 5.058 0.01 1 217 20 20 THR HB H 4.235 0.01 1 218 20 20 THR HG2 H 1.264 0.01 1 219 20 20 THR C C 173.367 0.3 1 220 20 20 THR CA C 61.073 0.3 1 221 20 20 THR CB C 70.301 0.3 1 222 20 20 THR CG2 C 23.720 0.3 1 223 20 20 THR N N 115.710 0.3 1 224 21 21 LEU H H 9.170 0.01 1 225 21 21 LEU HA H 5.367 0.01 1 226 21 21 LEU HB2 H 1.495 0.01 2 227 21 21 LEU HB3 H 1.863 0.01 2 228 21 21 LEU HD1 H 0.875 0.01 1 229 21 21 LEU HD2 H 0.740 0.01 1 230 21 21 LEU HG H 1.756 0.01 1 231 21 21 LEU C C 174.625 0.3 1 232 21 21 LEU CA C 53.793 0.3 1 233 21 21 LEU CB C 45.970 0.3 1 234 21 21 LEU CD1 C 25.912 0.3 1 235 21 21 LEU CD2 C 26.584 0.3 1 236 21 21 LEU CG C 26.410 0.3 1 237 21 21 LEU N N 130.286 0.3 1 238 22 22 ARG H H 9.302 0.01 1 239 22 22 ARG HA H 5.354 0.01 1 240 22 22 ARG HB2 H 1.257 0.01 2 241 22 22 ARG HB3 H 1.481 0.01 2 242 22 22 ARG HD2 H 1.484 0.01 2 243 22 22 ARG HD3 H 1.848 0.01 2 244 22 22 ARG HG2 H 0.743 0.01 2 245 22 22 ARG HG3 H 0.874 0.01 2 246 22 22 ARG C C 174.986 0.3 1 247 22 22 ARG CA C 54.283 0.3 1 248 22 22 ARG CB C 35.911 0.3 1 249 22 22 ARG CD C 45.831 0.3 1 250 22 22 ARG CG C 26.992 0.3 1 251 22 22 ARG N N 123.946 0.3 1 252 23 23 ALA H H 8.394 0.01 1 253 23 23 ALA HA H 5.278 0.01 1 254 23 23 ALA HB H 1.415 0.01 1 255 23 23 ALA C C 176.110 0.3 1 256 23 23 ALA CA C 51.229 0.3 1 257 23 23 ALA CB C 20.468 0.3 1 258 23 23 ALA N N 130.104 0.3 1 259 24 24 ILE H H 8.858 0.01 1 260 24 24 ILE HA H 4.542 0.01 1 261 24 24 ILE HB H 1.686 0.01 1 262 24 24 ILE HD1 H 0.691 0.01 1 263 24 24 ILE HG12 H 0.918 0.01 2 264 24 24 ILE HG13 H 1.342 0.01 2 265 24 24 ILE HG2 H 0.727 0.01 1 266 24 24 ILE C C 175.858 0.3 1 267 24 24 ILE CA C 59.005 0.3 1 268 24 24 ILE CB C 41.455 0.3 1 269 24 24 ILE CD1 C 13.641 0.3 1 270 24 24 ILE CG1 C 26.802 0.3 1 271 24 24 ILE CG2 C 17.704 0.3 1 272 24 24 ILE N N 120.356 0.3 1 273 25 25 ARG H H 8.768 0.01 1 274 25 25 ARG HA H 4.610 0.01 1 275 25 25 ARG HB2 H 0.845 0.01 2 276 25 25 ARG HB3 H 1.405 0.01 2 277 25 25 ARG HD2 H 1.540 0.01 2 278 25 25 ARG HD3 H 2.184 0.01 2 279 25 25 ARG HG2 H 1.212 0.01 2 280 25 25 ARG HG3 H 1.212 0.01 2 281 25 25 ARG C C 175.489 0.3 1 282 25 25 ARG CA C 55.638 0.3 1 283 25 25 ARG CB C 31.747 0.3 1 284 25 25 ARG CD C 43.080 0.3 1 285 25 25 ARG CG C 27.080 0.3 1 286 25 25 ARG N N 122.092 0.3 1 287 26 26 VAL H H 8.722 0.01 1 288 26 26 VAL HA H 4.251 0.01 1 289 26 26 VAL HB H 1.773 0.01 1 290 26 26 VAL HG1 H 0.753 0.01 1 291 26 26 VAL HG2 H 0.532 0.01 1 292 26 26 VAL C C 175.641 0.3 1 293 26 26 VAL CA C 61.483 0.3 1 294 26 26 VAL CB C 33.593 0.3 1 295 26 26 VAL CG1 C 20.986 0.3 1 296 26 26 VAL CG2 C 20.491 0.3 1 297 26 26 VAL N N 124.134 0.3 1 298 27 27 TYR H H 8.935 0.01 1 299 27 27 TYR HA H 4.589 0.01 1 300 27 27 TYR HB2 H 2.813 0.01 2 301 27 27 TYR HB3 H 2.960 0.01 2 302 27 27 TYR HD1 H 6.982 0.01 3 303 27 27 TYR HD2 H 6.982 0.01 3 304 27 27 TYR HE1 H 6.576 0.01 3 305 27 27 TYR HE2 H 6.576 0.01 3 306 27 27 TYR C C 176.257 0.3 1 307 27 27 TYR CA C 58.509 0.3 1 308 27 27 TYR CB C 39.232 0.3 1 309 27 27 TYR CD1 C 133.324 0.3 3 310 27 27 TYR CD2 C 133.324 0.3 3 311 27 27 TYR CE1 C 117.872 0.3 3 312 27 27 TYR CE2 C 117.872 0.3 3 313 27 27 TYR N N 127.841 0.3 1 314 28 28 MET H H 8.640 0.01 1 315 28 28 MET HA H 4.557 0.01 1 316 28 28 MET HB2 H 1.878 0.01 2 317 28 28 MET HB3 H 2.021 0.01 2 318 28 28 MET HG2 H 2.405 0.01 2 319 28 28 MET HG3 H 2.510 0.01 2 320 28 28 MET C C 176.260 0.3 1 321 28 28 MET CA C 54.283 0.3 1 322 28 28 MET CB C 32.113 0.3 1 323 28 28 MET CG C 32.177 0.3 1 324 28 28 MET N N 122.450 0.3 1 325 29 29 GLY H H 8.474 0.01 1 326 29 29 GLY HA2 H 3.756 0.01 2 327 29 29 GLY HA3 H 3.878 0.01 2 328 29 29 GLY C C 175.002 0.3 1 329 29 29 GLY CA C 46.688 0.3 1 330 29 29 GLY N N 113.621 0.3 1 331 30 30 ASP H H 8.447 0.01 1 332 30 30 ASP HA H 4.651 0.01 1 333 30 30 ASP HB2 H 2.619 0.01 2 334 30 30 ASP HB3 H 2.688 0.01 2 335 30 30 ASP CA C 53.895 0.3 1 336 30 30 ASP CB C 40.632 0.3 1 337 30 30 ASP N N 122.728 0.3 1 338 31 31 SER H H 7.933 0.01 1 339 31 31 SER HA H 4.516 0.01 1 340 31 31 SER HB2 H 3.892 0.01 2 341 31 31 SER HB3 H 4.046 0.01 2 342 31 31 SER C C 173.371 0.3 1 343 31 31 SER CA C 58.304 0.3 1 344 31 31 SER CB C 65.277 0.3 1 345 31 31 SER N N 114.933 0.3 1 346 32 32 ASP H H 8.459 0.01 1 347 32 32 ASP HA H 4.749 0.01 1 348 32 32 ASP HB2 H 2.727 0.01 2 349 32 32 ASP HB3 H 2.786 0.01 2 350 32 32 ASP C C 175.618 0.3 1 351 32 32 ASP CA C 54.100 0.3 1 352 32 32 ASP CB C 40.668 0.3 1 353 32 32 ASP N N 119.135 0.3 1 354 33 33 VAL H H 7.930 0.01 1 355 33 33 VAL HA H 4.024 0.01 1 356 33 33 VAL HB H 1.922 0.01 1 357 33 33 VAL HG1 H 0.865 0.01 1 358 33 33 VAL HG2 H 0.787 0.01 1 359 33 33 VAL C C 175.083 0.3 1 360 33 33 VAL CA C 62.201 0.3 1 361 33 33 VAL CB C 33.140 0.3 1 362 33 33 VAL CG1 C 21.060 0.3 1 363 33 33 VAL CG2 C 21.060 0.3 1 364 33 33 VAL N N 120.266 0.3 1 365 34 34 TYR H H 7.603 0.01 1 366 34 34 TYR HA H 5.083 0.01 1 367 34 34 TYR HB2 H 1.680 0.01 2 368 34 34 TYR HB3 H 2.129 0.01 2 369 34 34 TYR HD1 H 6.603 0.01 3 370 34 34 TYR HD2 H 6.603 0.01 3 371 34 34 TYR HE1 H 6.607 0.01 3 372 34 34 TYR HE2 H 6.607 0.01 3 373 34 34 TYR CA C 55.433 0.3 1 374 34 34 TYR CB C 40.258 0.3 1 375 34 34 TYR CD1 C 133.324 0.3 3 376 34 34 TYR CD2 C 133.324 0.3 3 377 34 34 TYR CE1 C 117.872 0.3 3 378 34 34 TYR CE2 C 117.872 0.3 3 379 34 34 TYR N N 121.062 0.3 1 380 35 35 THR H H 8.519 0.01 1 381 35 35 THR HA H 4.405 0.01 1 382 35 35 THR HB H 3.862 0.01 1 383 35 35 THR HG2 H 0.952 0.01 1 384 35 35 THR C C 172.966 0.3 1 385 35 35 THR CA C 60.355 0.3 1 386 35 35 THR CB C 71.142 0.3 1 387 35 35 THR CG2 C 21.250 0.3 1 388 35 35 THR N N 114.866 0.3 1 389 36 36 VAL H H 8.311 0.01 1 390 36 36 VAL HA H 4.694 0.01 1 391 36 36 VAL HB H 1.816 0.01 1 392 36 36 VAL HG1 H 0.902 0.01 1 393 36 36 VAL HG2 H 0.629 0.01 1 394 36 36 VAL C C 175.207 0.3 1 395 36 36 VAL CA C 61.791 0.3 1 396 36 36 VAL CB C 33.182 0.3 1 397 36 36 VAL CG1 C 21.994 0.3 1 398 36 36 VAL CG2 C 21.632 0.3 1 399 36 36 VAL N N 124.498 0.3 1 400 37 37 HIS H H 8.888 0.01 1 401 37 37 HIS HA H 4.656 0.01 1 402 37 37 HIS HB2 H 2.628 0.01 2 403 37 37 HIS HB3 H 2.949 0.01 2 404 37 37 HIS HD2 H 6.638 0.01 1 405 37 37 HIS C C 173.553 0.3 1 406 37 37 HIS CA C 53.793 0.3 1 407 37 37 HIS CB C 34.208 0.3 1 408 37 37 HIS CD2 C 119.887 0.3 1 409 37 37 HIS N N 126.041 0.3 1 410 38 38 HIS H H 9.392 0.01 1 411 38 38 HIS HA H 4.944 0.01 1 412 38 38 HIS HB2 H 2.711 0.01 2 413 38 38 HIS HB3 H 3.085 0.01 2 414 38 38 HIS HD2 H 6.931 0.01 1 415 38 38 HIS HE1 H 7.118 0.01 1 416 38 38 HIS C C 173.292 0.3 1 417 38 38 HIS CA C 55.843 0.3 1 418 38 38 HIS CB C 31.703 0.3 1 419 38 38 HIS CD2 C 119.887 0.3 1 420 38 38 HIS CE1 C 137.620 0.3 1 421 38 38 HIS N N 122.500 0.3 1 422 39 39 MET H H 9.081 0.01 1 423 39 39 MET HA H 5.201 0.01 1 424 39 39 MET HB2 H 1.927 0.01 2 425 39 39 MET HB3 H 1.987 0.01 2 426 39 39 MET HE H 2.109 0.01 1 427 39 39 MET HG2 H 2.372 0.01 2 428 39 39 MET HG3 H 2.372 0.01 2 429 39 39 MET C C 175.524 0.3 1 430 39 39 MET CA C 54.203 0.3 1 431 39 39 MET CB C 37.489 0.3 1 432 39 39 MET CE C 17.823 0.3 1 433 39 39 MET CG C 31.458 0.3 1 434 39 39 MET N N 122.698 0.3 1 435 40 40 VAL H H 9.106 0.01 1 436 40 40 VAL HA H 4.178 0.01 1 437 40 40 VAL HB H 2.396 0.01 1 438 40 40 VAL HG1 H 0.700 0.01 1 439 40 40 VAL HG2 H 0.612 0.01 1 440 40 40 VAL C C 174.359 0.3 1 441 40 40 VAL CA C 63.124 0.3 1 442 40 40 VAL CB C 30.311 0.3 1 443 40 40 VAL CG1 C 20.517 0.3 1 444 40 40 VAL CG2 C 22.909 0.3 1 445 40 40 VAL N N 124.210 0.3 1 446 41 41 TRP H H 9.322 0.01 1 447 41 41 TRP HA H 4.730 0.01 1 448 41 41 TRP HB2 H 2.867 0.01 2 449 41 41 TRP HB3 H 3.134 0.01 2 450 41 41 TRP HD1 H 7.074 0.01 1 451 41 41 TRP HE1 H 10.342 0.01 1 452 41 41 TRP HE3 H 7.458 0.01 1 453 41 41 TRP HH2 H 7.227 0.01 1 454 41 41 TRP HZ2 H 7.484 0.01 1 455 41 41 TRP HZ3 H 7.156 0.01 1 456 41 41 TRP C C 174.419 0.3 1 457 41 41 TRP CA C 57.587 0.3 1 458 41 41 TRP CB C 33.182 0.3 1 459 41 41 TRP CD1 C 127.277 0.3 1 460 41 41 TRP CE3 C 120.550 0.3 1 461 41 41 TRP CH2 C 125.262 0.3 1 462 41 41 TRP CZ2 C 115.184 0.3 1 463 41 41 TRP CZ3 C 122.574 0.3 1 464 41 41 TRP N N 134.127 0.3 1 465 41 41 TRP NE1 N 129.930 0.3 1 466 42 42 HIS H H 7.683 0.01 1 467 42 42 HIS HA H 4.449 0.01 1 468 42 42 HIS HB2 H 2.735 0.01 2 469 42 42 HIS HB3 H 2.951 0.01 2 470 42 42 HIS C C 172.970 0.3 1 471 42 42 HIS CA C 56.356 0.3 1 472 42 42 HIS CB C 34.721 0.3 1 473 42 42 HIS N N 114.793 0.3 1 474 43 43 VAL H H 7.904 0.01 1 475 43 43 VAL HA H 4.161 0.01 1 476 43 43 VAL HB H 1.697 0.01 1 477 43 43 VAL HG1 H 0.733 0.01 1 478 43 43 VAL HG2 H 0.526 0.01 1 479 43 43 VAL C C 174.145 0.3 1 480 43 43 VAL CA C 61.879 0.3 1 481 43 43 VAL CB C 34.208 0.3 1 482 43 43 VAL CG1 C 21.589 0.3 1 483 43 43 VAL CG2 C 21.589 0.3 1 484 43 43 VAL N N 125.898 0.3 1 485 44 44 GLU H H 7.796 0.01 1 486 44 44 GLU HA H 4.161 0.01 1 487 44 44 GLU HB2 H 1.902 0.01 2 488 44 44 GLU HB3 H 2.003 0.01 2 489 44 44 GLU HG2 H 2.258 0.01 2 490 44 44 GLU HG3 H 2.298 0.01 2 491 44 44 GLU C C 177.658 0.3 1 492 44 44 GLU CA C 56.233 0.3 1 493 44 44 GLU CB C 29.650 0.3 1 494 44 44 GLU CG C 35.057 0.3 1 495 44 44 GLU N N 124.854 0.3 1 496 45 45 ASP H H 9.129 0.01 1 497 45 45 ASP HA H 4.332 0.01 1 498 45 45 ASP HB2 H 2.626 0.01 2 499 45 45 ASP HB3 H 2.626 0.01 2 500 45 45 ASP C C 177.623 0.3 1 501 45 45 ASP CA C 56.254 0.3 1 502 45 45 ASP CB C 40.668 0.3 1 503 45 45 ASP N N 130.019 0.3 1 504 46 46 GLY H H 8.471 0.01 1 505 46 46 GLY HA2 H 3.820 0.01 2 506 46 46 GLY HA3 H 4.144 0.01 2 507 46 46 GLY CA C 45.764 0.3 1 508 46 46 GLY N N 112.897 0.3 1 509 47 47 GLY H H 7.638 0.01 1 510 47 47 GLY HA2 H 4.503 0.01 2 511 47 47 GLY HA3 H 4.036 0.01 2 512 47 47 GLY C C 174.365 0.3 1 513 47 47 GLY CA C 45.354 0.3 1 514 47 47 GLY N N 106.966 0.3 1 515 48 48 PRO HA H 4.326 0.01 1 516 48 48 PRO HB2 H 2.867 0.01 2 517 48 48 PRO HB3 H 2.384 0.01 2 518 48 48 PRO HD2 H 3.484 0.01 2 519 48 48 PRO HD3 H 3.772 0.01 2 520 48 48 PRO HG2 H 2.133 0.01 2 521 48 48 PRO HG3 H 2.436 0.01 2 522 48 48 PRO C C 180.035 0.3 1 523 48 48 PRO CA C 65.790 0.3 1 524 48 48 PRO CB C 32.362 0.3 1 525 48 48 PRO CD C 49.723 0.3 1 526 48 48 PRO CG C 28.474 0.3 1 527 49 49 ALA H H 8.064 0.01 1 528 49 49 ALA HA H 3.970 0.01 1 529 49 49 ALA HB H 1.401 0.01 1 530 49 49 ALA C C 178.003 0.3 1 531 49 49 ALA CA C 55.433 0.3 1 532 49 49 ALA CB C 18.622 0.3 1 533 49 49 ALA N N 120.933 0.3 1 534 50 50 SER H H 8.504 0.01 1 535 50 50 SER HA H 4.039 0.01 1 536 50 50 SER HB2 H 4.021 0.01 2 537 50 50 SER HB3 H 4.089 0.01 2 538 50 50 SER C C 179.291 0.3 1 539 50 50 SER CA C 60.765 0.3 1 540 50 50 SER CB C 63.021 0.3 1 541 50 50 SER N N 114.868 0.3 1 542 51 51 GLU H H 8.257 0.01 1 543 51 51 GLU HA H 3.968 0.01 1 544 51 51 GLU HB2 H 2.089 0.01 2 545 51 51 GLU HB3 H 2.089 0.01 2 546 51 51 GLU HG2 H 2.176 0.01 2 547 51 51 GLU HG3 H 2.304 0.01 2 548 51 51 GLU C C 177.949 0.3 1 549 51 51 GLU CA C 59.125 0.3 1 550 51 51 GLU CB C 29.696 0.3 1 551 51 51 GLU CG C 36.523 0.3 1 552 51 51 GLU N N 121.158 0.3 1 553 52 52 ALA H H 7.748 0.01 1 554 52 52 ALA HA H 4.325 0.01 1 555 52 52 ALA HB H 1.478 0.01 1 556 52 52 ALA C C 177.378 0.3 1 557 52 52 ALA CA C 52.870 0.3 1 558 52 52 ALA CB C 20.775 0.3 1 559 52 52 ALA N N 118.649 0.3 1 560 53 53 GLY H H 7.467 0.01 1 561 53 53 GLY HA2 H 3.609 0.01 2 562 53 53 GLY HA3 H 4.247 0.01 2 563 53 53 GLY C C 174.660 0.3 1 564 53 53 GLY CA C 44.872 0.3 1 565 53 53 GLY N N 102.994 0.3 1 566 54 54 LEU H H 7.702 0.01 1 567 54 54 LEU HA H 3.870 0.01 1 568 54 54 LEU HB2 H 0.817 0.01 2 569 54 54 LEU HB3 H 1.345 0.01 2 570 54 54 LEU HD1 H -0.217 0.01 1 571 54 54 LEU HD2 H 0.503 0.01 1 572 54 54 LEU HG H 1.208 0.01 1 573 54 54 LEU C C 175.051 0.3 1 574 54 54 LEU CA C 55.638 0.3 1 575 54 54 LEU CB C 43.301 0.3 1 576 54 54 LEU CD1 C 25.907 0.3 1 577 54 54 LEU CD2 C 23.819 0.3 1 578 54 54 LEU CG C 26.466 0.3 1 579 54 54 LEU N N 123.403 0.3 1 580 55 55 ARG H H 8.276 0.01 1 581 55 55 ARG HA H 4.393 0.01 1 582 55 55 ARG HB2 H 1.598 0.01 2 583 55 55 ARG HB3 H 1.598 0.01 2 584 55 55 ARG HD2 H 3.100 0.01 2 585 55 55 ARG HD3 H 3.100 0.01 2 586 55 55 ARG HG2 H 1.463 0.01 2 587 55 55 ARG HG3 H 1.572 0.01 2 588 55 55 ARG HH11 H 7.803 0.01 2 589 55 55 ARG HH12 H 7.106 0.01 2 590 55 55 ARG HH21 H 7.803 0.01 2 591 55 55 ARG HH22 H 7.106 0.01 2 592 55 55 ARG CA C 54.613 0.3 1 593 55 55 ARG CB C 32.319 0.3 1 594 55 55 ARG CD C 43.300 0.3 1 595 55 55 ARG CG C 26.630 0.3 1 596 55 55 ARG N N 125.775 0.3 1 597 55 55 ARG NH1 N 103.061 0.3 1 598 55 55 ARG NH2 N 103.061 0.3 1 599 56 56 GLN H H 8.406 0.01 1 600 56 56 GLN HA H 3.529 0.01 1 601 56 56 GLN HB2 H 1.741 0.01 2 602 56 56 GLN HB3 H 1.868 0.01 2 603 56 56 GLN HG2 H 2.122 0.01 2 604 56 56 GLN HG3 H 2.016 0.01 2 605 56 56 GLN C C 176.481 0.3 1 606 56 56 GLN CA C 57.894 0.3 1 607 56 56 GLN CB C 27.851 0.3 1 608 56 56 GLN CG C 33.718 0.3 1 609 56 56 GLN N N 122.541 0.3 1 610 57 57 GLY H H 9.303 0.01 1 611 57 57 GLY HA2 H 3.547 0.01 2 612 57 57 GLY HA3 H 4.338 0.01 2 613 57 57 GLY C C 173.545 0.3 1 614 57 57 GLY CA C 44.872 0.3 1 615 57 57 GLY N N 115.273 0.3 1 616 58 58 ASP H H 7.359 0.01 1 617 58 58 ASP HA H 4.617 0.01 1 618 58 58 ASP HB2 H 2.308 0.01 2 619 58 58 ASP HB3 H 2.661 0.01 2 620 58 58 ASP C C 175.006 0.3 1 621 58 58 ASP CA C 54.899 0.3 1 622 58 58 ASP CB C 41.146 0.3 1 623 58 58 ASP N N 119.845 0.3 1 624 59 59 LEU H H 8.556 0.01 1 625 59 59 LEU HA H 4.873 0.01 1 626 59 59 LEU HB2 H 1.448 0.01 2 627 59 59 LEU HB3 H 1.684 0.01 2 628 59 59 LEU HD1 H 0.668 0.01 1 629 59 59 LEU HD2 H 0.668 0.01 1 630 59 59 LEU HG H 1.583 0.01 1 631 59 59 LEU C C 176.996 0.3 1 632 59 59 LEU CA C 53.485 0.3 1 633 59 59 LEU CB C 42.821 0.3 1 634 59 59 LEU CD1 C 24.831 0.3 1 635 59 59 LEU CD2 C 24.831 0.3 1 636 59 59 LEU CG C 26.767 0.3 1 637 59 59 LEU N N 119.610 0.3 1 638 60 60 ILE H H 8.891 0.01 1 639 60 60 ILE HA H 4.197 0.01 1 640 60 60 ILE HB H 1.636 0.01 1 641 60 60 ILE HD1 H 0.665 0.01 1 642 60 60 ILE HG12 H 1.615 0.01 2 643 60 60 ILE HG13 H 1.615 0.01 2 644 60 60 ILE HG2 H 0.704 0.01 1 645 60 60 ILE C C 175.270 0.3 1 646 60 60 ILE CA C 61.571 0.3 1 647 60 60 ILE CB C 39.503 0.3 1 648 60 60 ILE CD1 C 14.108 0.3 1 649 60 60 ILE CG1 C 27.785 0.3 1 650 60 60 ILE CG2 C 17.135 0.3 1 651 60 60 ILE N N 122.051 0.3 1 652 61 61 THR H H 8.995 0.01 1 653 61 61 THR HA H 4.433 0.01 1 654 61 61 THR HB H 4.192 0.01 1 655 61 61 THR HG2 H 1.057 0.01 1 656 61 61 THR C C 176.502 0.3 1 657 61 61 THR CA C 62.508 0.3 1 658 61 61 THR CB C 68.353 0.3 1 659 61 61 THR CG2 C 21.059 0.3 1 660 61 61 THR N N 115.190 0.3 1 661 62 62 HIS H H 7.599 0.01 1 662 62 62 HIS HA H 5.458 0.01 1 663 62 62 HIS HB2 H 2.299 0.01 2 664 62 62 HIS HB3 H 2.700 0.01 2 665 62 62 HIS HD2 H 6.467 0.01 1 666 62 62 HIS C C 174.258 0.3 1 667 62 62 HIS CA C 56.336 0.3 1 668 62 62 HIS CB C 35.090 0.3 1 669 62 62 HIS CD2 C 116.528 0.3 1 670 62 62 HIS N N 120.815 0.3 1 671 63 63 VAL H H 8.512 0.01 1 672 63 63 VAL HA H 4.424 0.01 1 673 63 63 VAL HB H 1.726 0.01 1 674 63 63 VAL HG1 H 0.573 0.01 1 675 63 63 VAL HG2 H 0.646 0.01 1 676 63 63 VAL C C 176.020 0.3 1 677 63 63 VAL CA C 61.483 0.3 1 678 63 63 VAL CB C 33.695 0.3 1 679 63 63 VAL CG1 C 21.145 0.3 1 680 63 63 VAL CG2 C 20.829 0.3 1 681 63 63 VAL N N 119.831 0.3 1 682 64 64 ASN H H 10.226 0.01 1 683 64 64 ASN HA H 4.408 0.01 1 684 64 64 ASN HB2 H 3.046 0.01 2 685 64 64 ASN HB3 H 3.046 0.01 2 686 64 64 ASN HD21 H 7.799 0.01 2 687 64 64 ASN HD22 H 7.799 0.01 2 688 64 64 ASN C C 175.199 0.3 1 689 64 64 ASN CA C 54.305 0.3 1 690 64 64 ASN CB C 37.079 0.3 1 691 64 64 ASN N N 128.054 0.3 1 692 64 64 ASN ND2 N 115.009 0.3 1 693 65 65 GLY H H 8.402 0.01 1 694 65 65 GLY HA2 H 3.405 0.01 2 695 65 65 GLY HA3 H 4.148 0.01 2 696 65 65 GLY C C 173.159 0.3 1 697 65 65 GLY CA C 45.282 0.3 1 698 65 65 GLY N N 101.914 0.3 1 699 66 66 GLU H H 8.084 0.01 1 700 66 66 GLU HA H 4.906 0.01 1 701 66 66 GLU HB2 H 2.047 0.01 2 702 66 66 GLU HB3 H 2.047 0.01 2 703 66 66 GLU HG2 H 2.163 0.01 2 704 66 66 GLU HG3 H 2.248 0.01 2 705 66 66 GLU CA C 53.052 0.3 1 706 66 66 GLU CB C 30.061 0.3 1 707 66 66 GLU CG C 35.580 0.3 1 708 66 66 GLU N N 124.177 0.3 1 709 67 67 PRO HA H 4.370 0.01 1 710 67 67 PRO HB2 H 1.938 0.01 2 711 67 67 PRO HB3 H 1.938 0.01 2 712 67 67 PRO HD2 H 4.006 0.01 2 713 67 67 PRO HD3 H 3.933 0.01 2 714 67 67 PRO HG2 H 2.150 0.01 2 715 67 67 PRO HG3 H 2.098 0.01 2 716 67 67 PRO C C 178.434 0.3 1 717 67 67 PRO CA C 62.098 0.3 1 718 67 67 PRO CB C 32.260 0.3 1 719 67 67 PRO CD C 50.988 0.3 1 720 67 67 PRO CG C 27.234 0.3 1 721 68 68 VAL H H 7.315 0.01 1 722 68 68 VAL HA H 4.367 0.01 1 723 68 68 VAL HB H 2.155 0.01 1 724 68 68 VAL HG1 H 0.588 0.01 1 725 68 68 VAL HG2 H 0.588 0.01 1 726 68 68 VAL C C 176.089 0.3 1 727 68 68 VAL CA C 59.928 0.3 1 728 68 68 VAL CB C 30.882 0.3 1 729 68 68 VAL CG1 C 19.969 0.3 1 730 68 68 VAL CG2 C 21.661 0.3 1 731 68 68 VAL N N 110.324 0.3 1 732 69 69 HIS H H 7.562 0.01 1 733 69 69 HIS HA H 4.477 0.01 1 734 69 69 HIS HB2 H 2.988 0.01 2 735 69 69 HIS HB3 H 3.094 0.01 2 736 69 69 HIS HD2 H 6.939 0.01 1 737 69 69 HIS C C 176.918 0.3 1 738 69 69 HIS CA C 58.407 0.3 1 739 69 69 HIS CB C 30.106 0.3 1 740 69 69 HIS CD2 C 119.215 0.3 1 741 69 69 HIS N N 121.570 0.3 1 742 70 70 GLY H H 8.612 0.01 1 743 70 70 GLY HA2 H 3.662 0.01 2 744 70 70 GLY HA3 H 3.924 0.01 2 745 70 70 GLY C C 174.116 0.3 1 746 70 70 GLY CA C 45.179 0.3 1 747 70 70 GLY N N 113.423 0.3 1 748 71 71 LEU H H 7.830 0.01 1 749 71 71 LEU HA H 4.616 0.01 1 750 71 71 LEU HB2 H 1.441 0.01 2 751 71 71 LEU HB3 H 1.663 0.01 2 752 71 71 LEU HD1 H 0.670 0.01 1 753 71 71 LEU HD2 H 0.688 0.01 1 754 71 71 LEU HG H 1.454 0.01 1 755 71 71 LEU C C 178.709 0.3 1 756 71 71 LEU CA C 54.100 0.3 1 757 71 71 LEU CB C 42.308 0.3 1 758 71 71 LEU CD1 C 25.597 0.3 1 759 71 71 LEU CD2 C 22.353 0.3 1 760 71 71 LEU CG C 27.474 0.3 1 761 71 71 LEU N N 120.826 0.3 1 762 72 72 VAL H H 8.933 0.01 1 763 72 72 VAL HA H 4.619 0.01 1 764 72 72 VAL HB H 2.630 0.01 1 765 72 72 VAL HG1 H 1.036 0.01 1 766 72 72 VAL HG2 H 1.025 0.01 1 767 72 72 VAL C C 177.700 0.3 1 768 72 72 VAL CA C 60.663 0.3 1 769 72 72 VAL CB C 32.513 0.3 1 770 72 72 VAL CG1 C 21.844 0.3 1 771 72 72 VAL CG2 C 18.604 0.3 1 772 72 72 VAL N N 115.092 0.3 1 773 73 73 HIS H H 9.516 0.01 1 774 73 73 HIS HA H 4.051 0.01 1 775 73 73 HIS HB2 H 3.184 0.01 2 776 73 73 HIS HB3 H 3.343 0.01 2 777 73 73 HIS HD2 H 6.600 0.01 1 778 73 73 HIS HE1 H 7.381 0.01 1 779 73 73 HIS C C 176.633 0.3 1 780 73 73 HIS CA C 61.586 0.3 1 781 73 73 HIS CB C 29.389 0.3 1 782 73 73 HIS CD2 C 128.621 0.3 1 783 73 73 HIS CE1 C 138.698 0.3 1 784 73 73 HIS N N 121.869 0.3 1 785 74 74 THR H H 8.397 0.01 1 786 74 74 THR HA H 3.566 0.01 1 787 74 74 THR HB H 4.127 0.01 1 788 74 74 THR HG2 H 1.314 0.01 1 789 74 74 THR C C 176.973 0.3 1 790 74 74 THR CA C 65.790 0.3 1 791 74 74 THR CB C 68.045 0.3 1 792 74 74 THR CG2 C 22.426 0.3 1 793 74 74 THR N N 107.039 0.3 1 794 75 75 GLU H H 6.993 0.01 1 795 75 75 GLU HA H 4.019 0.01 1 796 75 75 GLU HB2 H 1.909 0.01 2 797 75 75 GLU HB3 H 2.404 0.01 2 798 75 75 GLU HG2 H 2.186 0.01 2 799 75 75 GLU HG3 H 2.186 0.01 2 800 75 75 GLU C C 178.938 0.3 1 801 75 75 GLU CA C 58.714 0.3 1 802 75 75 GLU CB C 30.722 0.3 1 803 75 75 GLU CG C 37.749 0.3 1 804 75 75 GLU N N 120.562 0.3 1 805 76 76 VAL H H 7.377 0.01 1 806 76 76 VAL HA H 3.213 0.01 1 807 76 76 VAL HB H 1.631 0.01 1 808 76 76 VAL HG1 H -0.025 0.01 1 809 76 76 VAL HG2 H 0.491 0.01 1 810 76 76 VAL C C 177.310 0.3 1 811 76 76 VAL CA C 67.123 0.3 1 812 76 76 VAL CB C 30.927 0.3 1 813 76 76 VAL CG1 C 22.542 0.3 1 814 76 76 VAL CG2 C 21.569 0.3 1 815 76 76 VAL N N 121.376 0.3 1 816 77 77 VAL H H 7.839 0.01 1 817 77 77 VAL HA H 3.020 0.01 1 818 77 77 VAL HB H 1.776 0.01 1 819 77 77 VAL HG1 H 0.739 0.01 1 820 77 77 VAL HG2 H 0.302 0.01 1 821 77 77 VAL C C 177.641 0.3 1 822 77 77 VAL CA C 67.626 0.3 1 823 77 77 VAL CB C 31.703 0.3 1 824 77 77 VAL CG1 C 21.694 0.3 1 825 77 77 VAL CG2 C 23.048 0.3 1 826 77 77 VAL N N 118.556 0.3 1 827 78 78 GLU H H 7.618 0.01 1 828 78 78 GLU HA H 3.871 0.01 1 829 78 78 GLU HB2 H 1.942 0.01 2 830 78 78 GLU HB3 H 2.036 0.01 2 831 78 78 GLU HG2 H 2.195 0.01 2 832 78 78 GLU HG3 H 2.276 0.01 2 833 78 78 GLU C C 178.300 0.3 1 834 78 78 GLU CA C 59.842 0.3 1 835 78 78 GLU CB C 29.286 0.3 1 836 78 78 GLU CG C 36.263 0.3 1 837 78 78 GLU N N 117.610 0.3 1 838 79 79 LEU H H 7.436 0.01 1 839 79 79 LEU HA H 3.870 0.01 1 840 79 79 LEU HB2 H 1.244 0.01 2 841 79 79 LEU HB3 H 1.904 0.01 2 842 79 79 LEU HD1 H 0.756 0.01 1 843 79 79 LEU HD2 H 0.646 0.01 1 844 79 79 LEU HG H 1.835 0.01 1 845 79 79 LEU C C 179.639 0.3 1 846 79 79 LEU CA C 57.894 0.3 1 847 79 79 LEU CB C 42.308 0.3 1 848 79 79 LEU CD1 C 22.478 0.3 1 849 79 79 LEU CD2 C 25.459 0.3 1 850 79 79 LEU CG C 26.130 0.3 1 851 79 79 LEU N N 117.425 0.3 1 852 80 80 ILE H H 7.576 0.01 1 853 80 80 ILE HA H 3.448 0.01 1 854 80 80 ILE HB H 1.957 0.01 1 855 80 80 ILE HD1 H 0.745 0.01 1 856 80 80 ILE HG12 H 0.748 0.01 2 857 80 80 ILE HG13 H 1.859 0.01 2 858 80 80 ILE HG2 H 0.771 0.01 1 859 80 80 ILE C C 178.567 0.3 1 860 80 80 ILE CA C 65.277 0.3 1 861 80 80 ILE CB C 38.412 0.3 1 862 80 80 ILE CD1 C 14.405 0.3 1 863 80 80 ILE CG1 C 30.154 0.3 1 864 80 80 ILE CG2 C 17.458 0.3 1 865 80 80 ILE N N 117.864 0.3 1 866 81 81 LEU H H 8.872 0.01 1 867 81 81 LEU HA H 4.151 0.01 1 868 81 81 LEU HB2 H 1.527 0.01 2 869 81 81 LEU HB3 H 1.810 0.01 2 870 81 81 LEU HD1 H 0.832 0.01 1 871 81 81 LEU HD2 H 0.901 0.01 1 872 81 81 LEU HG H 1.831 0.01 1 873 81 81 LEU C C 180.060 0.3 1 874 81 81 LEU CA C 57.876 0.3 1 875 81 81 LEU CB C 41.386 0.3 1 876 81 81 LEU CD1 C 25.380 0.3 1 877 81 81 LEU CD2 C 22.537 0.3 1 878 81 81 LEU CG C 26.767 0.3 1 879 81 81 LEU N N 120.209 0.3 1 880 82 82 LYS H H 8.087 0.01 1 881 82 82 LYS HA H 4.286 0.01 1 882 82 82 LYS HB2 H 1.892 0.01 2 883 82 82 LYS HB3 H 1.892 0.01 2 884 82 82 LYS HD2 H 1.606 0.01 2 885 82 82 LYS HD3 H 1.606 0.01 2 886 82 82 LYS HE2 H 2.899 0.01 2 887 82 82 LYS HE3 H 2.899 0.01 2 888 82 82 LYS HG2 H 1.465 0.01 2 889 82 82 LYS HG3 H 1.550 0.01 2 890 82 82 LYS C C 176.801 0.3 1 891 82 82 LYS CA C 57.074 0.3 1 892 82 82 LYS CB C 32.055 0.3 1 893 82 82 LYS CD C 29.455 0.3 1 894 82 82 LYS CE C 42.057 0.3 1 895 82 82 LYS CG C 24.931 0.3 1 896 82 82 LYS N N 117.016 0.3 1 897 83 83 SER H H 7.303 0.01 1 898 83 83 SER HA H 4.166 0.01 1 899 83 83 SER HB2 H 4.113 0.01 2 900 83 83 SER HB3 H 4.041 0.01 2 901 83 83 SER C C 174.947 0.3 1 902 83 83 SER CA C 59.740 0.3 1 903 83 83 SER CB C 63.534 0.3 1 904 83 83 SER N N 113.885 0.3 1 905 84 84 GLY H H 7.888 0.01 1 906 84 84 GLY HA2 H 3.680 0.01 2 907 84 84 GLY HA3 H 4.227 0.01 2 908 84 84 GLY C C 175.009 0.3 1 909 84 84 GLY CA C 45.662 0.3 1 910 84 84 GLY N N 106.690 0.3 1 911 85 85 ASN H H 8.553 0.01 1 912 85 85 ASN HA H 4.531 0.01 1 913 85 85 ASN HB2 H 2.941 0.01 2 914 85 85 ASN HB3 H 2.941 0.01 2 915 85 85 ASN HD21 H 7.598 0.01 2 916 85 85 ASN HD22 H 6.898 0.01 2 917 85 85 ASN C C 173.847 0.3 1 918 85 85 ASN CA C 54.386 0.3 1 919 85 85 ASN CB C 38.785 0.3 1 920 85 85 ASN N N 119.045 0.3 1 921 85 85 ASN ND2 N 112.444 0.3 1 922 86 86 LYS H H 7.692 0.01 1 923 86 86 LYS HA H 5.470 0.01 1 924 86 86 LYS HB2 H 1.298 0.01 2 925 86 86 LYS HB3 H 1.590 0.01 2 926 86 86 LYS HD2 H 1.431 0.01 2 927 86 86 LYS HD3 H 1.431 0.01 2 928 86 86 LYS HE2 H 2.801 0.01 2 929 86 86 LYS HE3 H 2.801 0.01 2 930 86 86 LYS HG2 H 0.996 0.01 2 931 86 86 LYS HG3 H 1.130 0.01 2 932 86 86 LYS C C 173.905 0.3 1 933 86 86 LYS CA C 55.126 0.3 1 934 86 86 LYS CB C 35.398 0.3 1 935 86 86 LYS CD C 29.701 0.3 1 936 86 86 LYS CE C 42.080 0.3 1 937 86 86 LYS CG C 23.332 0.3 1 938 86 86 LYS N N 118.742 0.3 1 939 87 87 VAL H H 8.629 0.01 1 940 87 87 VAL HA H 4.535 0.01 1 941 87 87 VAL HB H 1.854 0.01 1 942 87 87 VAL HG1 H 0.214 0.01 1 943 87 87 VAL HG2 H 0.803 0.01 1 944 87 87 VAL C C 170.328 0.3 1 945 87 87 VAL CA C 59.842 0.3 1 946 87 87 VAL CB C 34.926 0.3 1 947 87 87 VAL CG1 C 19.040 0.3 1 948 87 87 VAL CG2 C 22.721 0.3 1 949 87 87 VAL N N 119.977 0.3 1 950 88 88 ALA H H 8.055 0.01 1 951 88 88 ALA HA H 5.280 0.01 1 952 88 88 ALA HB H 1.192 0.01 1 953 88 88 ALA C C 176.924 0.3 1 954 88 88 ALA CA C 49.486 0.3 1 955 88 88 ALA CB C 20.263 0.3 1 956 88 88 ALA N N 128.613 0.3 1 957 89 89 ILE H H 9.520 0.01 1 958 89 89 ILE HA H 4.711 0.01 1 959 89 89 ILE HB H 1.677 0.01 1 960 89 89 ILE HD1 H 0.601 0.01 1 961 89 89 ILE HG12 H 1.109 0.01 2 962 89 89 ILE HG13 H 1.253 0.01 2 963 89 89 ILE HG2 H 0.685 0.01 1 964 89 89 ILE C C 175.187 0.3 1 965 89 89 ILE CA C 59.022 0.3 1 966 89 89 ILE CB C 39.950 0.3 1 967 89 89 ILE CD1 C 12.391 0.3 1 968 89 89 ILE CG1 C 27.470 0.3 1 969 89 89 ILE CG2 C 18.571 0.3 1 970 89 89 ILE N N 127.064 0.3 1 971 90 90 SER H H 8.625 0.01 1 972 90 90 SER HA H 5.121 0.01 1 973 90 90 SER HB2 H 3.850 0.01 2 974 90 90 SER HB3 H 3.991 0.01 2 975 90 90 SER C C 174.009 0.3 1 976 90 90 SER CA C 58.202 0.3 1 977 90 90 SER CB C 63.329 0.3 1 978 90 90 SER N N 124.612 0.3 1 979 91 91 THR H H 8.621 0.01 1 980 91 91 THR HA H 5.797 0.01 1 981 91 91 THR HB H 4.137 0.01 1 982 91 91 THR HG2 H 0.880 0.01 1 983 91 91 THR C C 174.789 0.3 1 984 91 91 THR CA C 59.022 0.3 1 985 91 91 THR CB C 72.967 0.3 1 986 91 91 THR CG2 C 21.849 0.3 1 987 91 91 THR N N 114.890 0.3 1 988 92 92 THR H H 8.910 0.01 1 989 92 92 THR HA H 4.807 0.01 1 990 92 92 THR HB H 4.025 0.01 1 991 92 92 THR HG2 H 1.114 0.01 1 992 92 92 THR CA C 59.415 0.3 1 993 92 92 THR CB C 71.629 0.3 1 994 92 92 THR CG2 C 21.092 0.3 1 995 92 92 THR N N 116.291 0.3 1 996 93 93 PRO HA H 4.612 0.01 1 997 93 93 PRO HB2 H 1.798 0.01 2 998 93 93 PRO HB3 H 2.224 0.01 2 999 93 93 PRO HD2 H 3.651 0.01 2 1000 93 93 PRO HD3 H 3.751 0.01 2 1001 93 93 PRO HG2 H 1.938 0.01 2 1002 93 93 PRO HG3 H 1.938 0.01 2 1003 93 93 PRO C C 176.668 0.3 1 1004 93 93 PRO CA C 62.594 0.3 1 1005 93 93 PRO CB C 32.305 0.3 1 1006 93 93 PRO CD C 51.324 0.3 1 1007 93 93 PRO CG C 27.430 0.3 1 1008 94 94 LEU H H 8.459 0.01 1 1009 94 94 LEU HA H 4.210 0.01 1 1010 94 94 LEU HB2 H 1.675 0.01 2 1011 94 94 LEU HB3 H 1.495 0.01 2 1012 94 94 LEU HD1 H 0.819 0.01 1 1013 94 94 LEU HD2 H 0.819 0.01 1 1014 94 94 LEU HG H 1.527 0.01 1 1015 94 94 LEU C C 176.802 0.3 1 1016 94 94 LEU CA C 55.926 0.3 1 1017 94 94 LEU CB C 42.480 0.3 1 1018 94 94 LEU CD1 C 25.041 0.3 1 1019 94 94 LEU CD2 C 24.340 0.3 1 1020 94 94 LEU CG C 27.079 0.3 1 1021 94 94 LEU N N 123.355 0.3 1 1022 95 95 GLU H H 8.293 0.01 1 1023 95 95 GLU HA H 4.325 0.01 1 1024 95 95 GLU HB2 H 1.837 0.01 2 1025 95 95 GLU HB3 H 2.003 0.01 2 1026 95 95 GLU HG2 H 2.158 0.01 2 1027 95 95 GLU HG3 H 2.158 0.01 2 1028 95 95 GLU C C 174.963 0.3 1 1029 95 95 GLU CA C 56.048 0.3 1 1030 95 95 GLU CB C 30.722 0.3 1 1031 95 95 GLU CG C 36.173 0.3 1 1032 95 95 GLU N N 123.310 0.3 1 1033 96 96 ASN H H 7.992 0.01 1 1034 96 96 ASN HA H 4.411 0.01 1 1035 96 96 ASN HB2 H 2.611 0.01 2 1036 96 96 ASN HB3 H 2.685 0.01 2 1037 96 96 ASN HD21 H 7.445 0.01 2 1038 96 96 ASN HD22 H 6.720 0.01 2 1039 96 96 ASN CA C 54.797 0.3 1 1040 96 96 ASN CB C 40.632 0.3 1 1041 96 96 ASN N N 125.546 0.3 1 1042 96 96 ASN ND2 N 112.444 0.3 1 stop_ save_