data_19798 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of 6aJL2-R24G Amyloidogenic Light Chain Protein ; _BMRB_accession_number 19798 _BMRB_flat_file_name bmr19798.str _Entry_type original _Submission_date 2014-02-13 _Accession_date 2014-02-23 _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 Maya Roberto C. . 2 Gil Paloma C. . 3 Amero Carlos . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 577 "13C chemical shifts" 392 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-16 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15276 '1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain.' 19870 'Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein' stop_ _Original_release_date 2014-06-16 save_ ############################# # Citation for this entry # ############################# save_R24G _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of 6aJL2 and 6aJL2-R24G Amyloidogenic Light Chain Proteins' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maya Roberto C. . 2 Gil Paloma C. . 3 Amero Carlos . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '6aJL2-R24G Amyloidogenic Light Chain Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '6aJL2-R24G Amyloidogenic Light Chain Protein' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11861.857 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; NFMLTQPHSVSESPGKTVTI SCTGSSGSIASNYVQWYQQR PGSSPTTVIYEDNQRPSGVP DRFSGSIDSSSNSASLTISG LKTEDEADYYCQSYDSSNHV VFGGGTKLTVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASN 2 2 PHE 3 3 MET 4 4 LEU 5 5 THR 6 6 GLN 7 7 PRO 8 8 HIS 9 9 SER 10 10 VAL 11 11 SER 12 12 GLU 13 13 SER 14 14 PRO 15 15 GLY 16 16 LYS 17 17 THR 18 18 VAL 19 19 THR 20 20 ILE 21 21 SER 22 22 CYS 23 23 THR 24 24 GLY 25 25 SER 26 26 SER 27 27 GLY 28 28 SER 29 29 ILE 30 30 ALA 31 31 SER 32 32 ASN 33 33 TYR 34 34 VAL 35 35 GLN 36 36 TRP 37 37 TYR 38 38 GLN 39 39 GLN 40 40 ARG 41 41 PRO 42 42 GLY 43 43 SER 44 44 SER 45 45 PRO 46 46 THR 47 47 THR 48 48 VAL 49 49 ILE 50 50 TYR 51 51 GLU 52 52 ASP 53 53 ASN 54 54 GLN 55 55 ARG 56 56 PRO 57 57 SER 58 58 GLY 59 59 VAL 60 60 PRO 61 61 ASP 62 62 ARG 63 63 PHE 64 64 SER 65 65 GLY 66 66 SER 67 67 ILE 68 68 ASP 69 69 SER 70 70 SER 71 71 SER 72 72 ASN 73 73 SER 74 74 ALA 75 75 SER 76 76 LEU 77 77 THR 78 78 ILE 79 79 SER 80 80 GLY 81 81 LEU 82 82 LYS 83 83 THR 84 84 GLU 85 85 ASP 86 86 GLU 87 87 ALA 88 88 ASP 89 89 TYR 90 90 TYR 91 91 CYS 92 92 GLN 93 93 SER 94 94 TYR 95 95 ASP 96 96 SER 97 97 SER 98 98 ASN 99 99 HIS 100 100 VAL 101 101 VAL 102 102 PHE 103 103 GLY 104 104 GLY 105 105 GLY 106 106 THR 107 107 LYS 108 108 LEU 109 109 THR 110 110 VAL 111 111 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 15276 6aJL2 100.00 111 100.00 100.00 3.21e-73 BMRB 19870 6aJL2 100.00 111 99.10 99.10 3.78e-72 PDB 2MKW "Solution Structure Of 6ajl2 And 6ajl2-r24g Amyloidogenics Light Chain Proteins" 100.00 111 100.00 100.00 3.21e-73 PDB 2MMX "Nmr Study Of 6ajl2" 100.00 111 99.10 99.10 3.78e-72 PDB 2W0K "Crystal Structure Of The Recombinant Variable Domain 6jal2" 100.00 111 99.10 99.10 3.78e-72 PDB 2W0L "Crystal Structure Of The Mutant H8p From The Recombinant Variable Domain 6jal2" 100.00 111 98.20 98.20 1.86e-70 PDB 3B5G "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" 100.00 111 98.20 98.20 3.91e-71 PDB 3BDX "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" 100.00 111 98.20 98.20 3.91e-71 PDB 5C9K "Crystal Structure Of A Highly Fibrillogenic Arg24gly Mutant Of The Recombinant Variable Domain 6ajl2" 100.00 111 100.00 100.00 3.21e-73 DBJ BAA19991 "V1-22 [Homo sapiens]" 88.29 98 98.98 98.98 9.24e-62 DBJ BAC01822 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 264 98.20 99.10 4.73e-71 DBJ BAC01823 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 263 99.10 99.10 2.45e-71 DBJ BAC01824 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 263 97.30 98.20 1.62e-59 DBJ BAC01857 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 261 97.30 98.20 6.17e-70 EMBL CAD43014 "immunoglobulin lambda chain variable region [Homo sapiens]" 100.00 112 97.30 97.30 2.28e-69 EMBL CAJ75494 "immunoglobulin lambda light chain [Homo sapiens]" 71.17 79 98.73 100.00 3.91e-47 EMBL CAJ75495 "immunoglobulin lambda light chain [Homo sapiens]" 79.28 97 98.86 100.00 2.42e-54 EMBL CAP74492 "immunoglobulin lambda variable region [Homo sapiens]" 88.29 98 97.96 100.00 8.37e-62 EMBL CAP74493 "immunoglobulin lambda variable region [Homo sapiens]" 81.98 96 97.80 98.90 2.19e-55 GB AAB33217 "immunoglobulin lambda light chain variable region [Homo sapiens]" 88.29 98 98.98 98.98 9.24e-62 GB AAG24687 "immunoglobulin lambda light chain variable region [Homo sapiens]" 81.98 96 97.80 98.90 6.37e-55 GB AAG24691 "immunoglobulin lambda light chain variable region [Homo sapiens]" 81.98 94 97.80 98.90 8.51e-55 GB AAG47681 "immunoglobulin lambda chain variable region [Homo sapiens]" 75.68 84 98.81 98.81 6.56e-51 GB AAM46210 "immunoglobulin lambda light chain variable region [Homo sapiens]" 81.98 90 97.80 97.80 3.94e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 'recombinant technology' 'E. coli' Escherichia coli . pET27 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.8 1.2 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 75 mM . . 'natural abundance' H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.33 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller 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 'Uniform NMR System' _Field_strength 700 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 'ionic strength' 75 . mM pH 7.4 . pH pressure 1 . atm temperature 298.15 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D 1H-13C NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HNCO' '3D HN(CO)CA' 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 '6aJL2-R24G Amyloidogenic Light Chain Protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASN HA H 4.753 0.020 1 2 1 1 ASN HB2 H 2.616 0.020 2 3 1 1 ASN HB3 H 2.832 0.020 2 4 1 1 ASN HD21 H 7.695 0.020 1 5 1 1 ASN HD22 H 7.065 0.020 1 6 1 1 ASN ND2 N 113.811 0.3 1 7 2 2 PHE HA H 4.806 0.020 1 8 2 2 PHE HB2 H 3.330 0.020 2 9 2 2 PHE HB3 H 2.696 0.020 2 10 2 2 PHE HD1 H 6.946 0.020 3 11 2 2 PHE HD2 H 6.931 0.020 3 12 2 2 PHE HE1 H 6.860 0.020 1 13 2 2 PHE HE2 H 6.860 0.020 1 14 2 2 PHE HZ H 7.020 0.020 1 15 2 2 PHE C C 173.400 0.3 1 16 2 2 PHE CA C 58.012 0.3 1 17 2 2 PHE CB C 40.425 0.3 1 18 3 3 MET H H 7.802 0.020 1 19 3 3 MET HA H 4.330 0.020 1 20 3 3 MET HB2 H 1.822 0.020 2 21 3 3 MET HB3 H 1.730 0.020 2 22 3 3 MET HG2 H 2.413 0.020 2 23 3 3 MET HG3 H 2.361 0.020 2 24 3 3 MET HE H 2.007 0.020 1 25 3 3 MET C C 172.800 0.3 1 26 3 3 MET CA C 54.038 0.3 1 27 3 3 MET CB C 36.316 0.3 1 28 3 3 MET CG C 31.728 0.3 1 29 3 3 MET CE C 16.407 0.3 1 30 3 3 MET N N 124.744 0.3 1 31 4 4 LEU H H 8.074 0.020 1 32 4 4 LEU HA H 4.670 0.020 1 33 4 4 LEU HB2 H 1.100 0.020 2 34 4 4 LEU HB3 H 1.030 0.020 2 35 4 4 LEU HG H 0.799 0.020 1 36 4 4 LEU HD1 H 0.339 0.020 2 37 4 4 LEU HD2 H 0.478 0.020 2 38 4 4 LEU C C 176.200 0.3 1 39 4 4 LEU CA C 53.710 0.3 1 40 4 4 LEU CB C 44.100 0.3 1 41 4 4 LEU CG C 25.800 0.3 1 42 4 4 LEU CD1 C 26.000 0.3 1 43 4 4 LEU CD2 C 23.600 0.3 1 44 4 4 LEU N N 120.401 0.3 1 45 5 5 THR H H 8.747 0.020 1 46 5 5 THR HA H 4.671 0.020 1 47 5 5 THR HB H 3.892 0.020 1 48 5 5 THR HG2 H 1.141 0.020 1 49 5 5 THR C C 173.700 0.3 1 50 5 5 THR CA C 61.500 0.3 1 51 5 5 THR CB C 70.387 0.3 1 52 5 5 THR CG2 C 21.219 0.3 1 53 5 5 THR N N 116.696 0.3 1 54 6 6 GLN H H 9.251 0.020 1 55 6 6 GLN HA H 5.294 0.020 1 56 6 6 GLN HB2 H 2.404 0.020 2 57 6 6 GLN HB3 H 1.650 0.020 2 58 6 6 GLN HG2 H 2.770 0.020 2 59 6 6 GLN HG3 H 2.000 0.020 2 60 6 6 GLN HE21 H 7.678 0.020 1 61 6 6 GLN HE22 H 7.235 0.020 1 62 6 6 GLN C C 173.900 0.3 1 63 6 6 GLN CA C 52.075 0.3 1 64 6 6 GLN CB C 32.285 0.3 1 65 6 6 GLN CG C 36.004 0.3 1 66 6 6 GLN N N 125.488 0.3 1 67 6 6 GLN NE2 N 110.953 0.3 1 68 8 8 HIS HA H 4.630 0.020 1 69 8 8 HIS HB2 H 3.239 0.020 1 70 8 8 HIS HB3 H 3.239 0.020 1 71 8 8 HIS HD2 H 7.470 0.020 1 72 8 8 HIS HE1 H 8.650 0.020 1 73 8 8 HIS C C 176.400 0.3 1 74 8 8 HIS CA C 59.200 0.3 1 75 8 8 HIS CB C 28.700 0.3 1 76 9 9 SER H H 7.896 0.020 1 77 9 9 SER HA H 5.302 0.020 1 78 9 9 SER HB2 H 4.781 0.020 2 79 9 9 SER HB3 H 3.817 0.020 2 80 9 9 SER C C 172.300 0.3 1 81 9 9 SER CA C 56.884 0.3 1 82 9 9 SER CB C 65.618 0.3 1 83 9 9 SER N N 110.956 0.3 1 84 10 10 VAL H H 8.599 0.020 1 85 10 10 VAL HA H 4.392 0.020 1 86 10 10 VAL HB H 1.803 0.020 1 87 10 10 VAL HG1 H 0.870 0.020 2 88 10 10 VAL HG2 H 0.812 0.020 2 89 10 10 VAL C C 173.400 0.3 1 90 10 10 VAL CA C 60.808 0.3 1 91 10 10 VAL CB C 36.616 0.3 1 92 10 10 VAL CG1 C 21.526 0.3 1 93 10 10 VAL CG2 C 21.300 0.3 1 94 10 10 VAL N N 120.650 0.3 1 95 11 11 SER H H 8.291 0.020 1 96 11 11 SER HA H 5.745 0.020 1 97 11 11 SER HB2 H 3.670 0.020 2 98 11 11 SER HB3 H 3.586 0.020 2 99 11 11 SER C C 173.200 0.3 1 100 11 11 SER CA C 55.848 0.3 1 101 11 11 SER CB C 65.972 0.3 1 102 11 11 SER N N 118.785 0.3 1 103 12 12 GLU H H 8.243 0.020 1 104 12 12 GLU HA H 4.541 0.020 1 105 12 12 GLU HB2 H 1.740 0.020 2 106 12 12 GLU HB3 H 1.590 0.020 2 107 12 12 GLU HG2 H 2.526 0.020 2 108 12 12 GLU HG3 H 2.384 0.020 2 109 12 12 GLU C C 174.200 0.3 1 110 12 12 GLU CA C 54.216 0.3 1 111 12 12 GLU CB C 35.065 0.3 1 112 12 12 GLU CG C 36.775 0.3 1 113 12 12 GLU N N 123.685 0.3 1 114 13 13 SER H H 9.693 0.020 1 115 13 13 SER HA H 4.810 0.020 1 116 13 13 SER HB2 H 3.913 0.020 2 117 13 13 SER HB3 H 3.524 0.020 2 118 13 13 SER C C 171.100 0.3 1 119 13 13 SER CA C 57.921 0.3 1 120 13 13 SER CB C 62.787 0.3 1 121 13 13 SER N N 119.524 0.3 1 122 14 14 PRO HA H 3.950 0.020 1 123 14 14 PRO HB2 H 2.154 0.020 2 124 14 14 PRO HB3 H 1.830 0.020 2 125 14 14 PRO HG2 H 2.077 0.020 2 126 14 14 PRO HG3 H 1.716 0.020 2 127 14 14 PRO HD2 H 3.930 0.020 2 128 14 14 PRO HD3 H 3.540 0.020 2 129 14 14 PRO C C 177.700 0.3 1 130 14 14 PRO CA C 63.447 0.3 1 131 14 14 PRO CB C 31.328 0.3 1 132 15 15 GLY H H 10.070 0.020 1 133 15 15 GLY HA2 H 4.263 0.020 2 134 15 15 GLY HA3 H 3.383 0.020 2 135 15 15 GLY C C 174.800 0.3 1 136 15 15 GLY CA C 44.413 0.3 1 137 15 15 GLY N N 112.023 0.3 1 138 16 16 LYS H H 7.187 0.020 1 139 16 16 LYS HA H 4.449 0.020 1 140 16 16 LYS HB2 H 1.878 0.020 2 141 16 16 LYS HB3 H 1.880 0.020 2 142 16 16 LYS HG2 H 1.368 0.020 2 143 16 16 LYS HG3 H 1.166 0.020 2 144 16 16 LYS HD2 H 1.575 0.020 2 145 16 16 LYS HD3 H 1.620 0.020 2 146 16 16 LYS HE2 H 2.960 0.020 1 147 16 16 LYS HE3 H 2.960 0.020 1 148 16 16 LYS C C 174.300 0.3 1 149 16 16 LYS CA C 55.211 0.3 1 150 16 16 LYS CB C 32.675 0.3 1 151 16 16 LYS CG C 24.880 0.3 1 152 16 16 LYS CD C 27.900 0.3 1 153 16 16 LYS CE C 42.200 0.3 1 154 16 16 LYS N N 121.085 0.3 1 155 17 17 THR H H 8.044 0.020 1 156 17 17 THR HA H 5.325 0.020 1 157 17 17 THR HB H 3.797 0.020 1 158 17 17 THR HG2 H 0.866 0.020 1 159 17 17 THR C C 173.800 0.3 1 160 17 17 THR CA C 60.842 0.3 1 161 17 17 THR CB C 69.861 0.3 1 162 17 17 THR CG2 C 21.500 0.3 1 163 17 17 THR N N 115.430 0.3 1 164 18 18 VAL H H 8.601 0.020 1 165 18 18 VAL HA H 4.546 0.020 1 166 18 18 VAL HB H 1.643 0.020 1 167 18 18 VAL HG1 H 0.691 0.020 2 168 18 18 VAL HG2 H 0.747 0.020 2 169 18 18 VAL C C 172.200 0.3 1 170 18 18 VAL CA C 58.811 0.3 1 171 18 18 VAL CB C 35.057 0.3 1 172 18 18 VAL CG1 C 21.162 0.3 1 173 18 18 VAL CG2 C 21.300 0.3 1 174 18 18 VAL N N 124.487 0.3 1 175 19 19 THR H H 8.119 0.020 1 176 19 19 THR HA H 5.034 0.020 1 177 19 19 THR HB H 3.603 0.020 1 178 19 19 THR HG2 H 0.870 0.020 1 179 19 19 THR C C 173.400 0.3 1 180 19 19 THR CA C 60.786 0.3 1 181 19 19 THR CB C 70.706 0.3 1 182 19 19 THR CG2 C 21.402 0.3 1 183 19 19 THR N N 120.165 0.3 1 184 20 20 ILE H H 9.237 0.020 1 185 20 20 ILE HA H 4.016 0.020 1 186 20 20 ILE HB H 1.430 0.020 1 187 20 20 ILE HG12 H 1.313 0.020 2 188 20 20 ILE HG13 H 0.760 0.020 2 189 20 20 ILE HG2 H 1.070 0.020 1 190 20 20 ILE HD1 H 0.382 0.020 1 191 20 20 ILE C C 174.100 0.3 1 192 20 20 ILE CA C 60.891 0.3 1 193 20 20 ILE CB C 40.500 0.3 1 194 20 20 ILE CG1 C 28.584 0.3 1 195 20 20 ILE CG2 C 18.362 0.3 1 196 20 20 ILE CD1 C 13.219 0.3 1 197 20 20 ILE N N 127.750 0.3 1 198 21 21 SER H H 7.773 0.020 1 199 21 21 SER HA H 5.347 0.020 1 200 21 21 SER HB2 H 3.769 0.020 2 201 21 21 SER HB3 H 3.771 0.020 2 202 21 21 SER C C 173.400 0.3 1 203 21 21 SER CA C 57.209 0.3 1 204 21 21 SER CB C 65.885 0.3 1 205 21 21 SER N N 120.141 0.3 1 206 22 22 CYS H H 8.874 0.020 1 207 22 22 CYS HA H 5.040 0.020 1 208 22 22 CYS HB2 H 3.355 0.020 2 209 22 22 CYS HB3 H 2.869 0.020 2 210 22 22 CYS C C 173.900 0.3 1 211 22 22 CYS CA C 55.278 0.3 1 212 22 22 CYS CB C 46.167 0.3 1 213 22 22 CYS N N 121.597 0.3 1 214 23 23 THR H H 9.338 0.020 1 215 23 23 THR HA H 4.647 0.020 1 216 23 23 THR HB H 3.881 0.020 1 217 23 23 THR HG2 H 1.335 0.020 1 218 23 23 THR C C 175.500 0.3 1 219 23 23 THR CA C 62.769 0.3 1 220 23 23 THR CB C 70.084 0.3 1 221 23 23 THR CG2 C 21.205 0.3 1 222 23 23 THR N N 121.867 0.3 1 223 24 24 GLY H H 9.269 0.020 1 224 24 24 GLY HA2 H 4.935 0.020 2 225 24 24 GLY HA3 H 3.386 0.020 2 226 24 24 GLY C C 173.000 0.3 1 227 24 24 GLY CA C 44.585 0.3 1 228 24 24 GLY N N 115.156 0.3 1 229 25 25 SER H H 8.475 0.020 1 230 25 25 SER HA H 4.682 0.020 1 231 25 25 SER HB2 H 3.823 0.020 1 232 25 25 SER HB3 H 3.823 0.020 1 233 25 25 SER C C 173.100 0.3 1 234 25 25 SER CA C 58.168 0.3 1 235 25 25 SER CB C 64.695 0.3 1 236 25 25 SER N N 117.074 0.3 1 237 26 26 SER H H 8.770 0.020 1 238 26 26 SER HA H 5.019 0.020 1 239 26 26 SER HB2 H 4.144 0.020 2 240 26 26 SER HB3 H 4.115 0.020 2 241 26 26 SER C C 173.900 0.3 1 242 26 26 SER CA C 58.898 0.3 1 243 26 26 SER CB C 61.808 0.3 1 244 26 26 SER N N 114.436 0.3 1 245 27 27 GLY H H 7.836 0.020 1 246 27 27 GLY HA2 H 3.974 0.020 2 247 27 27 GLY HA3 H 3.757 0.020 2 248 27 27 GLY C C 172.100 0.3 1 249 27 27 GLY CA C 44.427 0.3 1 250 27 27 GLY N N 105.594 0.3 1 251 28 28 SER H H 8.213 0.020 1 252 28 28 SER HA H 4.990 0.020 1 253 28 28 SER HB2 H 3.750 0.020 1 254 28 28 SER HB3 H 3.750 0.020 1 255 28 28 SER C C 176.500 0.3 1 256 28 28 SER CA C 56.206 0.3 1 257 28 28 SER CB C 63.800 0.3 1 258 28 28 SER N N 116.379 0.3 1 259 29 29 ILE H H 9.542 0.020 1 260 29 29 ILE HA H 4.180 0.020 1 261 29 29 ILE HB H 1.437 0.020 1 262 29 29 ILE HG12 H 1.550 0.020 2 263 29 29 ILE HG13 H 1.212 0.020 2 264 29 29 ILE HG2 H 0.803 0.020 1 265 29 29 ILE HD1 H 0.798 0.020 1 266 29 29 ILE C C 174.600 0.3 1 267 29 29 ILE CA C 61.000 0.3 1 268 29 29 ILE CB C 40.000 0.3 1 269 29 29 ILE CG1 C 28.800 0.3 1 270 29 29 ILE CG2 C 17.659 0.3 1 271 29 29 ILE CD1 C 14.690 0.3 1 272 29 29 ILE N N 130.936 0.3 1 273 30 30 ALA H H 7.697 0.020 1 274 30 30 ALA HA H 4.389 0.020 1 275 30 30 ALA HB H 1.229 0.020 1 276 30 30 ALA C C 178.200 0.3 1 277 30 30 ALA CA C 51.304 0.3 1 278 30 30 ALA CB C 18.291 0.3 1 279 30 30 ALA N N 119.879 0.3 1 280 31 31 SER H H 7.542 0.020 1 281 31 31 SER HA H 4.002 0.020 1 282 31 31 SER HB2 H 3.759 0.020 1 283 31 31 SER HB3 H 3.759 0.020 1 284 31 31 SER C C 173.000 0.3 1 285 31 31 SER CA C 60.900 0.3 1 286 31 31 SER CB C 63.600 0.3 1 287 31 31 SER N N 113.293 0.3 1 288 32 32 ASN H H 7.484 0.020 1 289 32 32 ASN HA H 4.648 0.020 1 290 32 32 ASN HB2 H 2.622 0.020 2 291 32 32 ASN HB3 H 2.525 0.020 2 292 32 32 ASN HD21 H 7.481 0.020 1 293 32 32 ASN HD22 H 6.724 0.020 1 294 32 32 ASN C C 173.400 0.3 1 295 32 32 ASN CA C 51.770 0.3 1 296 32 32 ASN CB C 43.836 0.3 1 297 32 32 ASN N N 117.430 0.3 1 298 32 32 ASN ND2 N 116.542 0.3 1 299 33 33 TYR H H 8.454 0.020 1 300 33 33 TYR HA H 4.934 0.020 1 301 33 33 TYR HB2 H 3.317 0.020 2 302 33 33 TYR HB3 H 2.682 0.020 2 303 33 33 TYR HD1 H 7.233 0.020 3 304 33 33 TYR HD2 H 7.200 0.020 3 305 33 33 TYR HE1 H 6.900 0.020 3 306 33 33 TYR HE2 H 6.852 0.020 3 307 33 33 TYR C C 178.400 0.3 1 308 33 33 TYR CA C 57.855 0.3 1 309 33 33 TYR CB C 40.226 0.3 1 310 33 33 TYR N N 117.143 0.3 1 311 34 34 VAL H H 9.552 0.020 1 312 34 34 VAL HA H 4.527 0.020 1 313 34 34 VAL HB H 2.005 0.020 1 314 34 34 VAL HG1 H 0.403 0.020 2 315 34 34 VAL HG2 H 0.880 0.020 2 316 34 34 VAL C C 174.000 0.3 1 317 34 34 VAL CA C 61.197 0.3 1 318 34 34 VAL CB C 33.400 0.3 1 319 34 34 VAL CG1 C 21.234 0.3 1 320 34 34 VAL CG2 C 21.339 0.3 1 321 34 34 VAL N N 127.298 0.3 1 322 35 35 GLN H H 8.674 0.020 1 323 35 35 GLN HA H 4.864 0.020 1 324 35 35 GLN HB2 H 1.779 0.020 1 325 35 35 GLN HB3 H 1.779 0.020 1 326 35 35 GLN HG2 H 2.464 0.020 1 327 35 35 GLN HG3 H 2.464 0.020 1 328 35 35 GLN C C 174.300 0.3 1 329 35 35 GLN CA C 53.061 0.3 1 330 35 35 GLN CB C 33.484 0.3 1 331 35 35 GLN CG C 36.500 0.3 1 332 35 35 GLN N N 125.533 0.3 1 333 36 36 TRP H H 9.083 0.020 1 334 36 36 TRP HA H 5.481 0.020 1 335 36 36 TRP HB2 H 2.949 0.020 2 336 36 36 TRP HB3 H 2.775 0.020 2 337 36 36 TRP HD1 H 6.582 0.020 1 338 36 36 TRP HE1 H 10.256 0.020 1 339 36 36 TRP HE3 H 7.256 0.020 1 340 36 36 TRP HZ2 H 7.060 0.020 1 341 36 36 TRP HZ3 H 6.760 0.020 1 342 36 36 TRP HH2 H 6.860 0.020 1 343 36 36 TRP C C 175.700 0.3 1 344 36 36 TRP CA C 55.700 0.3 1 345 36 36 TRP CB C 33.300 0.3 1 346 36 36 TRP N N 117.867 0.3 1 347 36 36 TRP NE1 N 131.044 0.3 1 348 37 37 TYR H H 9.607 0.020 1 349 37 37 TYR HA H 5.497 0.020 1 350 37 37 TYR HB2 H 2.766 0.020 2 351 37 37 TYR HB3 H 2.564 0.020 2 352 37 37 TYR HD1 H 6.741 0.020 3 353 37 37 TYR HD2 H 6.702 0.020 3 354 37 37 TYR HE1 H 6.820 0.020 1 355 37 37 TYR HE2 H 6.820 0.020 1 356 37 37 TYR C C 174.600 0.3 1 357 37 37 TYR CA C 56.200 0.3 1 358 37 37 TYR CB C 40.967 0.3 1 359 37 37 TYR N N 119.988 0.3 1 360 38 38 GLN H H 9.410 0.020 1 361 38 38 GLN HA H 4.340 0.020 1 362 38 38 GLN HB2 H 1.470 0.020 1 363 38 38 GLN HB3 H 1.470 0.020 1 364 38 38 GLN HG2 H 1.590 0.020 1 365 38 38 GLN HG3 H 1.590 0.020 1 366 38 38 GLN HE21 H 7.870 0.020 1 367 38 38 GLN HE22 H 7.621 0.020 1 368 38 38 GLN C C 174.000 0.3 1 369 38 38 GLN CA C 54.090 0.3 1 370 38 38 GLN CB C 34.927 0.3 1 371 38 38 GLN CG C 35.600 0.3 1 372 38 38 GLN N N 122.674 0.3 1 373 38 38 GLN NE2 N 112.781 0.3 1 374 39 39 GLN H H 9.497 0.020 1 375 39 39 GLN HA H 4.806 0.020 1 376 39 39 GLN HB2 H 1.929 0.020 1 377 39 39 GLN HB3 H 1.929 0.020 1 378 39 39 GLN HG2 H 2.236 0.020 1 379 39 39 GLN HG3 H 2.236 0.020 1 380 39 39 GLN HE21 H 7.547 0.020 1 381 39 39 GLN HE22 H 6.896 0.020 1 382 39 39 GLN C C 175.100 0.3 1 383 39 39 GLN CA C 54.401 0.3 1 384 39 39 GLN CB C 31.730 0.3 1 385 39 39 GLN CG C 33.600 0.3 1 386 39 39 GLN N N 128.281 0.3 1 387 39 39 GLN NE2 N 112.731 0.3 1 388 41 41 PRO HA H 4.332 0.020 1 389 41 41 PRO HB2 H 2.250 0.020 2 390 41 41 PRO HB3 H 1.838 0.020 2 391 41 41 PRO HG2 H 2.093 0.020 2 392 41 41 PRO HG3 H 2.024 0.020 2 393 41 41 PRO HD2 H 3.850 0.020 2 394 41 41 PRO HD3 H 3.580 0.020 2 395 41 41 PRO C C 178.700 0.3 1 396 41 41 PRO CA C 65.123 0.3 1 397 41 41 PRO CB C 31.156 0.3 1 398 42 42 GLY H H 8.860 0.020 1 399 42 42 GLY HA2 H 4.095 0.020 2 400 42 42 GLY HA3 H 3.778 0.020 2 401 42 42 GLY C C 174.200 0.3 1 402 42 42 GLY CA C 45.426 0.3 1 403 42 42 GLY N N 113.803 0.3 1 404 43 43 SER H H 7.935 0.020 1 405 43 43 SER HA H 4.990 0.020 1 406 43 43 SER HB2 H 3.895 0.020 2 407 43 43 SER HB3 H 3.733 0.020 2 408 43 43 SER C C 173.200 0.3 1 409 43 43 SER CA C 56.900 0.3 1 410 43 43 SER CB C 65.328 0.3 1 411 43 43 SER N N 114.946 0.3 1 412 44 44 SER H H 8.405 0.020 1 413 44 44 SER HA H 4.560 0.020 1 414 44 44 SER HB2 H 3.920 0.020 2 415 44 44 SER HB3 H 3.890 0.020 2 416 44 44 SER C C 173.700 0.3 1 417 44 44 SER CA C 57.900 0.3 1 418 44 44 SER CB C 64.800 0.3 1 419 44 44 SER N N 116.348 0.3 1 420 45 45 PRO HA H 4.380 0.020 1 421 45 45 PRO HB2 H 2.250 0.020 2 422 45 45 PRO HB3 H 1.900 0.020 2 423 45 45 PRO HG2 H 1.980 0.020 1 424 45 45 PRO HG3 H 1.980 0.020 1 425 45 45 PRO HD2 H 3.760 0.020 2 426 45 45 PRO HD3 H 3.650 0.020 2 427 45 45 PRO C C 176.400 0.3 1 428 45 45 PRO CA C 63.600 0.3 1 429 45 45 PRO CB C 32.200 0.3 1 430 46 46 THR H H 9.185 0.020 1 431 46 46 THR HA H 4.757 0.020 1 432 46 46 THR HB H 4.163 0.020 1 433 46 46 THR HG2 H 1.150 0.020 1 434 46 46 THR C C 174.200 0.3 1 435 46 46 THR CA C 60.700 0.3 1 436 46 46 THR CB C 70.369 0.3 1 437 46 46 THR CG2 C 20.812 0.3 1 438 46 46 THR N N 116.741 0.3 1 439 47 47 THR H H 8.954 0.020 1 440 47 47 THR HA H 4.098 0.020 1 441 47 47 THR HB H 3.894 0.020 1 442 47 47 THR HG2 H 1.011 0.020 1 443 47 47 THR C C 174.900 0.3 1 444 47 47 THR CA C 64.212 0.3 1 445 47 47 THR CB C 68.443 0.3 1 446 47 47 THR CG2 C 22.306 0.3 1 447 47 47 THR N N 123.309 0.3 1 448 48 48 VAL H H 8.981 0.020 1 449 48 48 VAL HA H 4.453 0.020 1 450 48 48 VAL HB H 1.669 0.020 1 451 48 48 VAL HG1 H 0.490 0.020 2 452 48 48 VAL HG2 H 0.760 0.020 2 453 48 48 VAL C C 172.700 0.3 1 454 48 48 VAL CA C 61.592 0.3 1 455 48 48 VAL CB C 33.600 0.3 1 456 48 48 VAL CG1 C 22.483 0.3 1 457 48 48 VAL CG2 C 19.851 0.3 1 458 48 48 VAL N N 121.193 0.3 1 459 49 49 ILE H H 7.282 0.020 1 460 49 49 ILE HA H 5.108 0.020 1 461 49 49 ILE HB H 1.907 0.020 1 462 49 49 ILE HG12 H 1.290 0.020 2 463 49 49 ILE HG13 H 1.006 0.020 2 464 49 49 ILE HG2 H 0.738 0.020 1 465 49 49 ILE HD1 H 0.516 0.020 1 466 49 49 ILE C C 175.000 0.3 1 467 49 49 ILE CA C 56.400 0.3 1 468 49 49 ILE CB C 41.300 0.3 1 469 49 49 ILE CG1 C 27.400 0.3 1 470 49 49 ILE CG2 C 17.573 0.3 1 471 49 49 ILE CD1 C 8.793 0.3 1 472 49 49 ILE N N 116.585 0.3 1 473 50 50 TYR H H 9.438 0.020 1 474 50 50 TYR HA H 5.104 0.020 1 475 50 50 TYR HB2 H 3.015 0.020 2 476 50 50 TYR HB3 H 2.780 0.020 2 477 50 50 TYR HD1 H 6.671 0.020 3 478 50 50 TYR HD2 H 6.644 0.020 3 479 50 50 TYR HE1 H 6.274 0.020 3 480 50 50 TYR HE2 H 6.370 0.020 3 481 50 50 TYR C C 172.600 0.3 1 482 50 50 TYR CA C 54.900 0.3 1 483 50 50 TYR CB C 41.200 0.3 1 484 50 50 TYR N N 123.350 0.3 1 485 51 51 GLU H H 9.183 0.020 1 486 51 51 GLU HA H 3.014 0.020 1 487 51 51 GLU HB2 H 1.560 0.020 2 488 51 51 GLU HB3 H 1.450 0.020 2 489 51 51 GLU HG2 H 1.832 0.020 2 490 51 51 GLU HG3 H 1.750 0.020 2 491 51 51 GLU C C 176.600 0.3 1 492 51 51 GLU CA C 57.400 0.3 1 493 51 51 GLU CB C 26.800 0.3 1 494 51 51 GLU CG C 35.789 0.3 1 495 51 51 GLU N N 116.382 0.3 1 496 52 52 ASP H H 8.913 0.020 1 497 52 52 ASP HA H 4.138 0.020 1 498 52 52 ASP HB2 H 2.401 0.020 2 499 52 52 ASP HB3 H 2.386 0.020 2 500 52 52 ASP C C 177.700 0.3 1 501 52 52 ASP CA C 59.300 0.3 1 502 52 52 ASP CB C 38.700 0.3 1 503 52 52 ASP N N 113.602 0.3 1 504 53 53 ASN H H 8.735 0.020 1 505 53 53 ASN HA H 4.433 0.020 1 506 53 53 ASN HB2 H 3.158 0.020 2 507 53 53 ASN HB3 H 2.589 0.020 2 508 53 53 ASN HD21 H 7.527 0.020 1 509 53 53 ASN HD22 H 6.812 0.020 1 510 53 53 ASN C C 176.000 0.3 1 511 53 53 ASN CA C 52.355 0.3 1 512 53 53 ASN CB C 39.361 0.3 1 513 53 53 ASN N N 115.348 0.3 1 514 53 53 ASN ND2 N 110.879 0.3 1 515 54 54 GLN H H 8.670 0.020 1 516 54 54 GLN HA H 4.370 0.020 1 517 54 54 GLN HB2 H 1.920 0.020 2 518 54 54 GLN HB3 H 1.321 0.020 2 519 54 54 GLN HG2 H 2.248 0.020 2 520 54 54 GLN HG3 H 2.042 0.020 2 521 54 54 GLN HE21 H 7.450 0.020 1 522 54 54 GLN HE22 H 6.760 0.020 1 523 54 54 GLN C C 174.100 0.3 1 524 54 54 GLN CA C 54.600 0.3 1 525 54 54 GLN CB C 28.900 0.3 1 526 54 54 GLN CG C 33.500 0.3 1 527 54 54 GLN N N 121.005 0.3 1 528 54 54 GLN NE2 N 115.082 0.3 1 529 55 55 ARG H H 8.551 0.020 1 530 55 55 ARG HA H 5.120 0.020 1 531 55 55 ARG HB2 H 1.780 0.020 2 532 55 55 ARG HB3 H 1.610 0.020 2 533 55 55 ARG HG2 H 1.610 0.020 2 534 55 55 ARG HG3 H 1.740 0.020 2 535 55 55 ARG HD2 H 3.620 0.020 2 536 55 55 ARG HD3 H 3.120 0.020 2 537 55 55 ARG C C 175.600 0.3 1 538 55 55 ARG CA C 53.000 0.3 1 539 55 55 ARG CB C 33.100 0.3 1 540 55 55 ARG CG C 28.075 0.3 1 541 55 55 ARG CD C 43.700 0.3 1 542 55 55 ARG N N 122.223 0.3 1 543 56 56 PRO HA H 4.580 0.020 1 544 56 56 PRO HB2 H 2.330 0.020 2 545 56 56 PRO HB3 H 1.840 0.020 2 546 56 56 PRO HG2 H 1.886 0.020 2 547 56 56 PRO HG3 H 1.697 0.020 2 548 56 56 PRO HD2 H 3.720 0.020 2 549 56 56 PRO HD3 H 3.520 0.020 2 550 56 56 PRO C C 176.200 0.3 1 551 56 56 PRO CA C 62.405 0.3 1 552 56 56 PRO CB C 32.500 0.3 1 553 57 57 SER H H 8.561 0.020 1 554 57 57 SER HA H 4.220 0.020 1 555 57 57 SER HB2 H 3.851 0.020 2 556 57 57 SER HB3 H 3.880 0.020 2 557 57 57 SER C C 176.200 0.3 1 558 57 57 SER CA C 60.300 0.3 1 559 57 57 SER CB C 63.000 0.3 1 560 57 57 SER N N 116.385 0.3 1 561 58 58 GLY HA2 H 4.158 0.020 2 562 58 58 GLY HA3 H 3.698 0.020 2 563 58 58 GLY C C 174.300 0.3 1 564 58 58 GLY CA C 44.707 0.3 1 565 59 59 VAL H H 7.499 0.020 1 566 59 59 VAL HA H 4.343 0.020 1 567 59 59 VAL HB H 2.069 0.020 1 568 59 59 VAL HG1 H 0.934 0.020 2 569 59 59 VAL HG2 H 1.037 0.020 2 570 59 59 VAL C C 174.600 0.3 1 571 59 59 VAL CA C 59.801 0.3 1 572 59 59 VAL CB C 33.336 0.3 1 573 59 59 VAL CG1 C 22.697 0.3 1 574 59 59 VAL CG2 C 19.087 0.3 1 575 59 59 VAL N N 124.336 0.3 1 576 60 60 PRO HA H 4.550 0.020 1 577 60 60 PRO HB2 H 2.610 0.020 2 578 60 60 PRO HB3 H 2.050 0.020 2 579 60 60 PRO HG2 H 2.212 0.020 2 580 60 60 PRO HG3 H 2.200 0.020 2 581 60 60 PRO HD2 H 4.030 0.020 2 582 60 60 PRO HD3 H 3.700 0.020 2 583 60 60 PRO C C 176.500 0.3 1 584 60 60 PRO CA C 63.400 0.3 1 585 60 60 PRO CB C 33.131 0.3 1 586 61 61 ASP H H 8.515 0.020 1 587 61 61 ASP HA H 4.081 0.020 1 588 61 61 ASP HB2 H 2.881 0.020 2 589 61 61 ASP HB3 H 2.590 0.020 2 590 61 61 ASP C C 175.600 0.3 1 591 61 61 ASP CA C 54.937 0.3 1 592 61 61 ASP CB C 39.040 0.3 1 593 61 61 ASP N N 119.350 0.3 1 594 62 62 ARG H H 6.680 0.020 1 595 62 62 ARG HA H 4.060 0.020 1 596 62 62 ARG HB2 H 1.910 0.020 1 597 62 62 ARG HB3 H 1.910 0.020 1 598 62 62 ARG HG2 H 2.220 0.020 2 599 62 62 ARG HG3 H 2.075 0.020 2 600 62 62 ARG HD2 H 3.229 0.020 2 601 62 62 ARG HD3 H 3.080 0.020 2 602 62 62 ARG C C 175.800 0.3 1 603 62 62 ARG CA C 57.000 0.3 1 604 62 62 ARG CB C 29.300 0.3 1 605 62 62 ARG CG C 28.600 0.3 1 606 62 62 ARG CD C 42.400 0.3 1 607 62 62 ARG N N 114.826 0.3 1 608 63 63 PHE H H 7.686 0.020 1 609 63 63 PHE HA H 4.767 0.020 1 610 63 63 PHE HB2 H 2.980 0.020 2 611 63 63 PHE HB3 H 2.274 0.020 2 612 63 63 PHE HD1 H 7.090 0.020 3 613 63 63 PHE HD2 H 7.034 0.020 3 614 63 63 PHE HE1 H 7.230 0.020 3 615 63 63 PHE HE2 H 7.218 0.020 3 616 63 63 PHE HZ H 7.350 0.020 1 617 63 63 PHE C C 174.600 0.3 1 618 63 63 PHE CA C 57.856 0.3 1 619 63 63 PHE CB C 40.320 0.3 1 620 63 63 PHE N N 119.979 0.3 1 621 64 64 SER H H 8.882 0.020 1 622 64 64 SER HA H 4.754 0.020 1 623 64 64 SER HB2 H 3.732 0.020 2 624 64 64 SER HB3 H 3.652 0.020 2 625 64 64 SER C C 172.300 0.3 1 626 64 64 SER CA C 57.377 0.3 1 627 64 64 SER CB C 65.800 0.3 1 628 64 64 SER N N 114.814 0.3 1 629 65 65 GLY H H 8.769 0.020 1 630 65 65 GLY HA2 H 5.373 0.020 2 631 65 65 GLY HA3 H 3.688 0.020 2 632 65 65 GLY C C 172.600 0.3 1 633 65 65 GLY CA C 43.350 0.3 1 634 65 65 GLY N N 109.859 0.3 1 635 66 66 SER H H 8.654 0.020 1 636 66 66 SER HA H 4.748 0.020 1 637 66 66 SER HB2 H 3.714 0.020 1 638 66 66 SER HB3 H 3.714 0.020 1 639 66 66 SER C C 173.400 0.3 1 640 66 66 SER CA C 57.300 0.3 1 641 66 66 SER CB C 66.100 0.3 1 642 66 66 SER N N 112.830 0.3 1 643 67 67 ILE H H 8.528 0.020 1 644 67 67 ILE HA H 4.755 0.020 1 645 67 67 ILE HB H 1.940 0.020 1 646 67 67 ILE HG12 H 1.510 0.020 2 647 67 67 ILE HG13 H 1.339 0.020 2 648 67 67 ILE HG2 H 0.826 0.020 1 649 67 67 ILE HD1 H 0.891 0.020 1 650 67 67 ILE C C 174.700 0.3 1 651 67 67 ILE CA C 59.600 0.3 1 652 67 67 ILE CB C 40.400 0.3 1 653 67 67 ILE CG1 C 26.900 0.3 1 654 67 67 ILE CG2 C 16.595 0.3 1 655 67 67 ILE CD1 C 10.928 0.3 1 656 67 67 ILE N N 122.008 0.3 1 657 68 68 ASP H H 9.124 0.020 1 658 68 68 ASP HA H 5.029 0.020 1 659 68 68 ASP HB2 H 2.863 0.020 2 660 68 68 ASP HB3 H 2.454 0.020 2 661 68 68 ASP C C 176.300 0.3 1 662 68 68 ASP CA C 51.826 0.3 1 663 68 68 ASP CB C 41.533 0.3 1 664 68 68 ASP N N 126.193 0.3 1 665 70 70 SER HA H 4.303 0.020 1 666 70 70 SER HB2 H 4.030 0.020 1 667 70 70 SER HB3 H 4.030 0.020 1 668 70 70 SER C C 175.300 0.3 1 669 70 70 SER CA C 61.158 0.3 1 670 70 70 SER CB C 62.900 0.3 1 671 71 71 SER H H 7.416 0.020 1 672 71 71 SER HA H 4.583 0.020 1 673 71 71 SER HB2 H 4.009 0.020 2 674 71 71 SER HB3 H 3.730 0.020 2 675 71 71 SER C C 174.600 0.3 1 676 71 71 SER CA C 57.900 0.3 1 677 71 71 SER CB C 64.100 0.3 1 678 71 71 SER N N 114.342 0.3 1 679 72 72 ASN H H 8.099 0.020 1 680 72 72 ASN HA H 4.504 0.020 1 681 72 72 ASN HB2 H 3.653 0.020 2 682 72 72 ASN HB3 H 2.510 0.020 2 683 72 72 ASN HD21 H 7.681 0.020 1 684 72 72 ASN HD22 H 7.231 0.020 1 685 72 72 ASN C C 173.600 0.3 1 686 72 72 ASN CA C 54.040 0.3 1 687 72 72 ASN CB C 38.700 0.3 1 688 72 72 ASN N N 123.541 0.3 1 689 72 72 ASN ND2 N 110.326 0.3 1 690 73 73 SER H H 8.204 0.020 1 691 73 73 SER HA H 5.562 0.020 1 692 73 73 SER HB2 H 3.679 0.020 2 693 73 73 SER HB3 H 3.616 0.020 2 694 73 73 SER C C 171.500 0.3 1 695 73 73 SER CA C 56.177 0.3 1 696 73 73 SER CB C 67.756 0.3 1 697 73 73 SER N N 109.438 0.3 1 698 74 74 ALA H H 9.324 0.020 1 699 74 74 ALA HA H 5.346 0.020 1 700 74 74 ALA HB H 1.660 0.020 1 701 74 74 ALA C C 176.700 0.3 1 702 74 74 ALA CA C 49.714 0.3 1 703 74 74 ALA CB C 23.431 0.3 1 704 74 74 ALA N N 125.096 0.3 1 705 75 75 SER H H 8.952 0.020 1 706 75 75 SER HA H 5.594 0.020 1 707 75 75 SER HB2 H 3.394 0.020 1 708 75 75 SER HB3 H 3.394 0.020 1 709 75 75 SER C C 171.300 0.3 1 710 75 75 SER CA C 57.326 0.3 1 711 75 75 SER CB C 66.138 0.3 1 712 75 75 SER N N 114.445 0.3 1 713 76 76 LEU H H 8.387 0.020 1 714 76 76 LEU HA H 4.358 0.020 1 715 76 76 LEU HB2 H 0.280 0.020 2 716 76 76 LEU HB3 H 0.256 0.020 2 717 76 76 LEU HG H 0.684 0.020 1 718 76 76 LEU HD1 H 0.177 0.020 2 719 76 76 LEU HD2 H -1.550 0.020 2 720 76 76 LEU C C 174.700 0.3 1 721 76 76 LEU CA C 52.500 0.3 1 722 76 76 LEU CB C 41.400 0.3 1 723 76 76 LEU CG C 26.800 0.3 1 724 76 76 LEU CD1 C 27.300 0.3 1 725 76 76 LEU CD2 C 23.600 0.3 1 726 76 76 LEU N N 127.757 0.3 1 727 77 77 THR H H 9.043 0.020 1 728 77 77 THR HA H 4.924 0.020 1 729 77 77 THR HB H 3.544 0.020 1 730 77 77 THR HG2 H 0.781 0.020 1 731 77 77 THR C C 173.000 0.3 1 732 77 77 THR CA C 60.854 0.3 1 733 77 77 THR CB C 69.729 0.3 1 734 77 77 THR CG2 C 21.300 0.3 1 735 77 77 THR N N 124.480 0.3 1 736 78 78 ILE H H 8.697 0.020 1 737 78 78 ILE HA H 4.210 0.020 1 738 78 78 ILE HB H 1.211 0.020 1 739 78 78 ILE HG12 H 0.789 0.020 1 740 78 78 ILE HG13 H 0.789 0.020 1 741 78 78 ILE HG2 H -0.059 0.020 1 742 78 78 ILE HD1 H 0.048 0.020 1 743 78 78 ILE C C 175.200 0.3 1 744 78 78 ILE CA C 60.300 0.3 1 745 78 78 ILE CB C 39.300 0.3 1 746 78 78 ILE CG1 C 26.000 0.3 1 747 78 78 ILE CG2 C 17.066 0.3 1 748 78 78 ILE CD1 C 13.355 0.3 1 749 78 78 ILE N N 127.065 0.3 1 750 79 79 SER H H 8.516 0.020 1 751 79 79 SER HA H 4.770 0.020 1 752 79 79 SER HB2 H 3.670 0.020 2 753 79 79 SER HB3 H 3.613 0.020 2 754 79 79 SER C C 173.800 0.3 1 755 79 79 SER CA C 56.792 0.3 1 756 79 79 SER CB C 64.615 0.3 1 757 79 79 SER N N 121.449 0.3 1 758 80 80 GLY H H 7.685 0.020 1 759 80 80 GLY HA2 H 3.555 0.020 2 760 80 80 GLY HA3 H 3.304 0.020 2 761 80 80 GLY C C 174.600 0.3 1 762 80 80 GLY CA C 46.738 0.3 1 763 80 80 GLY N N 109.795 0.3 1 764 81 81 LEU H H 7.953 0.020 1 765 81 81 LEU HA H 3.637 0.020 1 766 81 81 LEU HB2 H 1.395 0.020 2 767 81 81 LEU HB3 H 1.420 0.020 2 768 81 81 LEU HG H 1.364 0.020 1 769 81 81 LEU HD1 H 0.633 0.020 2 770 81 81 LEU HD2 H 0.698 0.020 2 771 81 81 LEU C C 176.800 0.3 1 772 81 81 LEU CA C 56.600 0.3 1 773 81 81 LEU CB C 43.827 0.3 1 774 81 81 LEU CG C 26.700 0.3 1 775 81 81 LEU CD1 C 26.500 0.3 1 776 81 81 LEU CD2 C 25.800 0.3 1 777 81 81 LEU N N 117.173 0.3 1 778 82 82 LYS H H 9.052 0.020 1 779 82 82 LYS HA H 4.809 0.020 1 780 82 82 LYS HB2 H 2.113 0.020 2 781 82 82 LYS HB3 H 1.540 0.020 2 782 82 82 LYS HG2 H 1.587 0.020 2 783 82 82 LYS HG3 H 1.366 0.020 2 784 82 82 LYS HD2 H 1.640 0.020 1 785 82 82 LYS HD3 H 1.640 0.020 1 786 82 82 LYS HE2 H 2.863 0.020 2 787 82 82 LYS HE3 H 2.980 0.020 2 788 82 82 LYS C C 177.700 0.3 1 789 82 82 LYS CA C 54.100 0.3 1 790 82 82 LYS CB C 36.933 0.3 1 791 82 82 LYS CG C 24.477 0.3 1 792 82 82 LYS CD C 29.200 0.3 1 793 82 82 LYS CE C 42.400 0.3 1 794 82 82 LYS N N 125.225 0.3 1 795 83 83 THR H H 8.806 0.020 1 796 83 83 THR HA H 4.129 0.020 1 797 83 83 THR HB H 3.767 0.020 1 798 83 83 THR HG2 H 1.268 0.020 1 799 83 83 THR C C 177.300 0.3 1 800 83 83 THR CA C 67.823 0.3 1 801 83 83 THR CB C 66.442 0.3 1 802 83 83 THR CG2 C 21.808 0.3 1 803 83 83 THR N N 116.316 0.3 1 804 84 84 GLU H H 8.803 0.020 1 805 84 84 GLU HA H 4.275 0.020 1 806 84 84 GLU HB2 H 2.110 0.020 2 807 84 84 GLU HB3 H 2.060 0.020 2 808 84 84 GLU HG2 H 2.147 0.020 2 809 84 84 GLU HG3 H 2.170 0.020 2 810 84 84 GLU C C 175.500 0.3 1 811 84 84 GLU CA C 57.811 0.3 1 812 84 84 GLU CB C 28.931 0.3 1 813 84 84 GLU CG C 35.711 0.3 1 814 84 84 GLU N N 118.287 0.3 1 815 85 85 ASP H H 8.103 0.020 1 816 85 85 ASP HA H 4.538 0.020 1 817 85 85 ASP HB2 H 2.870 0.020 2 818 85 85 ASP HB3 H 2.630 0.020 2 819 85 85 ASP C C 177.600 0.3 1 820 85 85 ASP CA C 54.509 0.3 1 821 85 85 ASP CB C 40.430 0.3 1 822 85 85 ASP N N 119.721 0.3 1 823 86 86 GLU H H 7.537 0.020 1 824 86 86 GLU HA H 4.090 0.020 1 825 86 86 GLU HB2 H 2.196 0.020 2 826 86 86 GLU HB3 H 2.132 0.020 2 827 86 86 GLU HG2 H 3.070 0.020 2 828 86 86 GLU HG3 H 2.159 0.020 2 829 86 86 GLU C C 175.000 0.3 1 830 86 86 GLU CA C 58.428 0.3 1 831 86 86 GLU CB C 29.469 0.3 1 832 86 86 GLU CG C 36.376 0.3 1 833 86 86 GLU N N 121.758 0.3 1 834 87 87 ALA H H 8.062 0.020 1 835 87 87 ALA HA H 4.332 0.020 1 836 87 87 ALA HB H 1.007 0.020 1 837 87 87 ALA C C 174.600 0.3 1 838 87 87 ALA CA C 51.298 0.3 1 839 87 87 ALA CB C 19.833 0.3 1 840 87 87 ALA N N 126.350 0.3 1 841 88 88 ASP H H 7.701 0.020 1 842 88 88 ASP HA H 5.532 0.020 1 843 88 88 ASP HB2 H 2.500 0.020 2 844 88 88 ASP HB3 H 2.084 0.020 2 845 88 88 ASP C C 175.300 0.3 1 846 88 88 ASP CA C 53.338 0.3 1 847 88 88 ASP CB C 42.900 0.3 1 848 88 88 ASP N N 117.539 0.3 1 849 89 89 TYR H H 9.004 0.020 1 850 89 89 TYR HA H 5.700 0.020 1 851 89 89 TYR HB2 H 2.840 0.020 2 852 89 89 TYR HB3 H 2.730 0.020 2 853 89 89 TYR HD1 H 6.950 0.020 1 854 89 89 TYR HD2 H 6.950 0.020 1 855 89 89 TYR HE1 H 6.850 0.020 1 856 89 89 TYR HE2 H 6.850 0.020 1 857 89 89 TYR C C 176.800 0.3 1 858 89 89 TYR CA C 56.800 0.3 1 859 89 89 TYR CB C 42.300 0.3 1 860 89 89 TYR N N 118.331 0.3 1 861 90 90 TYR H H 9.366 0.020 1 862 90 90 TYR HA H 5.216 0.020 1 863 90 90 TYR HB2 H 3.040 0.020 2 864 90 90 TYR HB3 H 2.720 0.020 2 865 90 90 TYR HD1 H 6.843 0.020 3 866 90 90 TYR HD2 H 6.843 0.020 3 867 90 90 TYR HE1 H 6.640 0.020 1 868 90 90 TYR HE2 H 6.640 0.020 1 869 90 90 TYR C C 174.900 0.3 1 870 90 90 TYR CA C 57.300 0.3 1 871 90 90 TYR CB C 42.800 0.3 1 872 90 90 TYR N N 121.035 0.3 1 873 91 91 CYS H H 7.609 0.020 1 874 91 91 CYS HA H 4.970 0.020 1 875 91 91 CYS HB2 H 1.814 0.020 1 876 91 91 CYS C C 173.300 0.3 1 877 91 91 CYS CA C 52.689 0.3 1 878 91 91 CYS CB C 44.837 0.3 1 879 91 91 CYS N N 117.277 0.3 1 880 92 92 GLN H H 8.580 0.020 1 881 92 92 GLN HA H 4.784 0.020 1 882 92 92 GLN HB2 H 1.280 0.020 1 883 92 92 GLN HB3 H 1.280 0.020 1 884 92 92 GLN HG2 H 1.600 0.020 2 885 92 92 GLN HG3 H 1.650 0.020 2 886 92 92 GLN C C 173.800 0.3 1 887 92 92 GLN CA C 54.500 0.3 1 888 92 92 GLN CB C 32.200 0.3 1 889 92 92 GLN CG C 32.400 0.3 1 890 92 92 GLN N N 121.452 0.3 1 891 93 93 SER H H 8.693 0.020 1 892 93 93 SER HA H 4.297 0.020 1 893 93 93 SER HB2 H 3.844 0.020 2 894 93 93 SER HB3 H 3.361 0.020 2 895 93 93 SER C C 173.800 0.3 1 896 93 93 SER CA C 55.255 0.3 1 897 93 93 SER CB C 63.852 0.3 1 898 93 93 SER N N 119.713 0.3 1 899 94 94 TYR H H 8.529 0.020 1 900 94 94 TYR HA H 5.560 0.020 1 901 94 94 TYR HB2 H 2.861 0.020 2 902 94 94 TYR HB3 H 2.343 0.020 2 903 94 94 TYR HD1 H 6.803 0.020 1 904 94 94 TYR HD2 H 6.803 0.020 1 905 94 94 TYR HE1 H 6.880 0.020 1 906 94 94 TYR HE2 H 6.880 0.020 1 907 94 94 TYR C C 174.100 0.3 1 908 94 94 TYR CA C 56.100 0.3 1 909 94 94 TYR CB C 42.767 0.3 1 910 94 94 TYR N N 122.271 0.3 1 911 95 95 ASP H H 8.647 0.020 1 912 95 95 ASP HA H 4.523 0.020 1 913 95 95 ASP HB2 H 3.569 0.020 2 914 95 95 ASP HB3 H 2.709 0.020 2 915 95 95 ASP C C 177.800 0.3 1 916 95 95 ASP CA C 51.351 0.3 1 917 95 95 ASP CB C 41.701 0.3 1 918 95 95 ASP N N 119.284 0.3 1 919 96 96 SER HA H 4.178 0.020 1 920 96 96 SER HB2 H 3.880 0.020 1 921 96 96 SER HB3 H 3.880 0.020 1 922 96 96 SER C C 175.400 0.3 1 923 96 96 SER CA C 60.800 0.3 1 924 96 96 SER CB C 62.900 0.3 1 925 97 97 SER H H 8.214 0.020 1 926 97 97 SER HA H 4.511 0.020 1 927 97 97 SER HB2 H 3.690 0.020 2 928 97 97 SER HB3 H 3.540 0.020 2 929 97 97 SER C C 173.000 0.3 1 930 97 97 SER CA C 57.292 0.3 1 931 97 97 SER CB C 62.560 0.3 1 932 97 97 SER N N 118.295 0.3 1 933 98 98 ASN H H 8.263 0.020 1 934 98 98 ASN HA H 4.149 0.020 1 935 98 98 ASN HB2 H 2.963 0.020 2 936 98 98 ASN HB3 H 2.686 0.020 2 937 98 98 ASN HD21 H 7.350 0.020 1 938 98 98 ASN HD22 H 6.522 0.020 1 939 98 98 ASN C C 174.300 0.3 1 940 98 98 ASN CA C 54.425 0.3 1 941 98 98 ASN CB C 37.018 0.3 1 942 98 98 ASN N N 114.863 0.3 1 943 98 98 ASN ND2 N 111.455 0.3 1 944 99 99 HIS H H 8.481 0.020 1 945 99 99 HIS HA H 5.010 0.020 1 946 99 99 HIS HB2 H 3.320 0.020 2 947 99 99 HIS HB3 H 3.150 0.020 2 948 99 99 HIS HD2 H 7.200 0.020 1 949 99 99 HIS HE1 H 8.530 0.020 1 950 99 99 HIS C C 175.100 0.3 1 951 99 99 HIS CA C 54.600 0.3 1 952 99 99 HIS CB C 28.700 0.3 1 953 99 99 HIS N N 117.233 0.3 1 954 100 100 VAL HA H 3.662 0.020 1 955 100 100 VAL HB H 1.920 0.020 1 956 100 100 VAL HG1 H 0.941 0.020 2 957 100 100 VAL HG2 H 0.576 0.020 2 958 100 100 VAL C C 175.900 0.3 1 959 100 100 VAL CA C 64.000 0.3 1 960 100 100 VAL CB C 32.500 0.3 1 961 100 100 VAL CG1 C 22.613 0.3 1 962 100 100 VAL CG2 C 21.453 0.3 1 963 101 101 VAL H H 8.032 0.020 1 964 101 101 VAL HA H 4.345 0.020 1 965 101 101 VAL HB H 1.585 0.020 1 966 101 101 VAL HG1 H 0.770 0.020 2 967 101 101 VAL HG2 H 0.845 0.020 2 968 101 101 VAL C C 173.800 0.3 1 969 101 101 VAL CA C 60.128 0.3 1 970 101 101 VAL CB C 35.500 0.3 1 971 101 101 VAL CG1 C 21.500 0.3 1 972 101 101 VAL CG2 C 21.174 0.3 1 973 101 101 VAL N N 125.832 0.3 1 974 102 102 PHE HA H 4.943 0.020 1 975 102 102 PHE HB2 H 3.480 0.020 2 976 102 102 PHE HB3 H 2.750 0.020 2 977 102 102 PHE HD1 H 6.860 0.020 1 978 102 102 PHE HD2 H 6.860 0.020 1 979 102 102 PHE HE1 H 6.760 0.020 1 980 102 102 PHE HE2 H 6.760 0.020 1 981 102 102 PHE C C 178.700 0.3 1 982 102 102 PHE CA C 57.600 0.3 1 983 102 102 PHE CB C 42.649 0.3 1 984 103 103 GLY H H 8.905 0.020 1 985 103 103 GLY HA2 H 4.487 0.020 2 986 103 103 GLY HA3 H 4.191 0.020 2 987 103 103 GLY C C 174.500 0.3 1 988 103 103 GLY CA C 44.215 0.3 1 989 103 103 GLY N N 109.492 0.3 1 990 104 104 GLY HA2 H 4.153 0.020 2 991 104 104 GLY HA3 H 3.993 0.020 2 992 104 104 GLY C C 175.100 0.3 1 993 104 104 GLY CA C 45.947 0.3 1 994 105 105 GLY H H 7.007 0.020 1 995 105 105 GLY HA2 H 3.856 0.020 2 996 105 105 GLY HA3 H 3.127 0.020 2 997 105 105 GLY C C 172.500 0.3 1 998 105 105 GLY CA C 44.714 0.3 1 999 105 105 GLY N N 106.330 0.3 1 1000 106 106 THR H H 8.243 0.020 1 1001 106 106 THR HA H 4.700 0.020 1 1002 106 106 THR HB H 3.615 0.020 1 1003 106 106 THR HG2 H 0.978 0.020 1 1004 106 106 THR C C 173.600 0.3 1 1005 106 106 THR CA C 61.100 0.3 1 1006 106 106 THR CB C 72.354 0.3 1 1007 106 106 THR CG2 C 22.553 0.3 1 1008 106 106 THR N N 119.569 0.3 1 1009 107 107 LYS H H 8.287 0.020 1 1010 107 107 LYS HA H 4.749 0.020 1 1011 107 107 LYS HB2 H 1.743 0.020 1 1012 107 107 LYS HB3 H 1.743 0.020 1 1013 107 107 LYS HG2 H 1.290 0.020 1 1014 107 107 LYS HG3 H 1.290 0.020 1 1015 107 107 LYS HD2 H 1.660 0.020 1 1016 107 107 LYS HD3 H 1.660 0.020 1 1017 107 107 LYS HE2 H 2.940 0.020 1 1018 107 107 LYS HE3 H 2.940 0.020 1 1019 107 107 LYS C C 174.900 0.3 1 1020 107 107 LYS CA C 56.400 0.3 1 1021 107 107 LYS CB C 32.200 0.3 1 1022 107 107 LYS CG C 24.100 0.3 1 1023 107 107 LYS CD C 28.400 0.3 1 1024 107 107 LYS CE C 41.800 0.3 1 1025 107 107 LYS N N 128.850 0.3 1 1026 108 108 LEU H H 8.937 0.020 1 1027 108 108 LEU HA H 5.342 0.020 1 1028 108 108 LEU HB2 H 2.416 0.020 2 1029 108 108 LEU HB3 H 1.256 0.020 2 1030 108 108 LEU HG H 1.380 0.020 1 1031 108 108 LEU HD1 H 0.730 0.020 2 1032 108 108 LEU HD2 H 0.699 0.020 2 1033 108 108 LEU C C 175.800 0.3 1 1034 108 108 LEU CA C 54.100 0.3 1 1035 108 108 LEU CB C 44.300 0.3 1 1036 108 108 LEU CG C 28.500 0.3 1 1037 108 108 LEU CD1 C 26.200 0.3 1 1038 108 108 LEU CD2 C 25.400 0.3 1 1039 108 108 LEU N N 133.771 0.3 1 1040 109 109 THR H H 8.631 0.020 1 1041 109 109 THR HA H 4.497 0.020 1 1042 109 109 THR HB H 3.939 0.020 1 1043 109 109 THR HG2 H 1.095 0.020 1 1044 109 109 THR C C 172.500 0.3 1 1045 109 109 THR CA C 60.847 0.3 1 1046 109 109 THR CB C 70.441 0.3 1 1047 109 109 THR CG2 C 21.538 0.3 1 1048 109 109 THR N N 122.701 0.3 1 1049 110 110 VAL H H 8.857 0.020 1 1050 110 110 VAL HA H 4.816 0.020 1 1051 110 110 VAL HB H 1.980 0.020 1 1052 110 110 VAL HG1 H 0.738 0.020 2 1053 110 110 VAL HG2 H 0.790 0.020 2 1054 110 110 VAL C C 175.400 0.3 1 1055 110 110 VAL CA C 61.263 0.3 1 1056 110 110 VAL CB C 32.188 0.3 1 1057 110 110 VAL CG1 C 21.200 0.3 1 1058 110 110 VAL CG2 C 21.000 0.3 1 1059 110 110 VAL N N 126.262 0.3 1 1060 111 111 LEU H H 8.125 0.020 1 1061 111 111 LEU HA H 3.992 0.020 1 1062 111 111 LEU HB2 H 1.480 0.020 2 1063 111 111 LEU HB3 H 1.380 0.020 2 1064 111 111 LEU HG H 1.298 0.020 1 1065 111 111 LEU HD1 H 0.739 0.020 2 1066 111 111 LEU HD2 H 0.746 0.020 2 1067 111 111 LEU C C 181.400 0.3 1 1068 111 111 LEU CA C 56.900 0.3 1 1069 111 111 LEU CB C 43.900 0.3 1 1070 111 111 LEU CG C 27.300 0.3 1 1071 111 111 LEU CD1 C 24.697 0.3 1 1072 111 111 LEU CD2 C 22.900 0.3 1 1073 111 111 LEU N N 134.143 0.3 1 stop_ save_