data_19671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3rC34Y, variant of Imunoglobulin light-chain of lambda 3 ; _BMRB_accession_number 19671 _BMRB_flat_file_name bmr19671.str _Entry_type original _Submission_date 2013-12-10 _Accession_date 2013-12-10 _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 Gil-Rodriguez Paloma C. . 2 Amero Carlos D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 390 "13C chemical shifts" 273 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19641 '3rCWP7D, variant of Imunoglobulin light-chain of lambda 3' stop_ _Original_release_date 2015-04-15 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N and (13)C resonance assignments for 3rC and 3rCWP: amyloidogenic variants of imunoglobulin lambda 3 light-chain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24816896 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gil-Rodriguez Paloma C. . 2 Amero Carlos D. . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 142 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 3rC34Y _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 3rC34Y $3rC34Y 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_3rC34Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 3rC34Y _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; SYELTQPPSVSVSPGQTASI TCSGDKLGDKYAYWYQQKPG QSPVLVIYQDSKRPSGIPER FSGSNSGNTATLTISGTQAM DEADYYCQAWDSSTAVVFGG GTKLTVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 TYR 3 3 GLU 4 4 LEU 5 5 THR 6 6 GLN 7 7 PRO 8 8 PRO 9 9 SER 10 10 VAL 11 11 SER 12 12 VAL 13 13 SER 14 14 PRO 15 15 GLY 16 16 GLN 17 17 THR 18 18 ALA 19 19 SER 20 20 ILE 21 21 THR 22 22 CYS 23 23 SER 24 24 GLY 25 25 ASP 26 26 LYS 27 27 LEU 28 28 GLY 29 29 ASP 30 30 LYS 31 31 TYR 32 32 ALA 33 33 TYR 34 34 TRP 35 35 TYR 36 36 GLN 37 37 GLN 38 38 LYS 39 39 PRO 40 40 GLY 41 41 GLN 42 42 SER 43 43 PRO 44 44 VAL 45 45 LEU 46 46 VAL 47 47 ILE 48 48 TYR 49 49 GLN 50 50 ASP 51 51 SER 52 52 LYS 53 53 ARG 54 54 PRO 55 55 SER 56 56 GLY 57 57 ILE 58 58 PRO 59 59 GLU 60 60 ARG 61 61 PHE 62 62 SER 63 63 GLY 64 64 SER 65 65 ASN 66 66 SER 67 67 GLY 68 68 ASN 69 69 THR 70 70 ALA 71 71 THR 72 72 LEU 73 73 THR 74 74 ILE 75 75 SER 76 76 GLY 77 77 THR 78 78 GLN 79 79 ALA 80 80 MET 81 81 ASP 82 82 GLU 83 83 ALA 84 84 ASP 85 85 TYR 86 86 TYR 87 87 CYS 88 88 GLN 89 89 ALA 90 90 TRP 91 91 ASP 92 92 SER 93 93 SER 94 94 THR 95 95 ALA 96 96 VAL 97 97 VAL 98 98 PHE 99 99 GLY 100 100 GLY 101 101 GLY 102 102 THR 103 103 LYS 104 104 LEU 105 105 THR 106 106 VAL 107 107 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 19641 3rCWP7D 100.00 107 97.20 97.20 1.25e-66 PDB 4AIX "Crystallographic Structure Of An Amyloidogenic Variant, 3rc34y, Of The Germinal Line Lambda 3" 100.00 107 100.00 100.00 2.57e-70 PDB 4AJ0 "Crystallographic Structure Of An Amyloidogenic Variant, 3rcw, Of The Germinal Line Lambda 3" 100.00 107 99.07 99.07 7.48e-69 DBJ BAA20022 "V2-1 [Homo sapiens]" 88.79 95 98.95 98.95 6.07e-60 DBJ BAC01665 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 107 98.13 98.13 1.36e-66 DBJ BAC01796 "immunoglobulin lambda light chain VLJ region [Homo sapiens]" 100.00 263 97.20 97.20 2.73e-64 EMBL CAA12203 "IgM light chain [Homo sapiens]" 100.00 108 98.13 98.13 2.45e-66 EMBL CAA80216 "immunoglobulin lambda chain [Homo sapiens]" 88.79 95 98.95 98.95 6.07e-60 EMBL CAA85623 "immunoglobulin lambda chain variable region [Homo sapiens]" 99.07 121 97.17 97.17 4.60e-65 EMBL CAC10553 "immunoglobulin lambda light chain variable region [Homo sapiens]" 96.26 106 98.06 98.06 1.68e-63 EMBL CAC10914 "immunoglobulin lambda light chain variable region [Homo sapiens]" 75.70 82 97.53 97.53 4.30e-49 GB AAA19492 "immunoglobulin lambda light chain V-J12 [Homo sapiens]" 100.00 107 98.13 98.13 2.62e-66 GB AAB00975 "immunoglobulin light chain V region, partial [Homo sapiens]" 88.79 110 98.95 98.95 7.05e-60 GB AAC16875 "immunoglobulin lambda light chain variable region [Homo sapiens]" 100.00 106 98.13 98.13 1.93e-66 GB AAD01813 "lambda III.1 light chain variable region [Homo sapiens]" 88.79 98 98.95 98.95 5.06e-60 GB AAD01814 "lambda III.1 light chain variable region, partial [Homo sapiens]" 88.79 98 98.95 98.95 5.06e-60 PIR S16440 "Ig lambda chain - human" 88.79 114 98.95 98.95 1.22e-59 PIR S36065 "Ig lambda chain - human (fragment)" 88.79 95 98.95 98.95 6.07e-60 PRF 2001180C "anti-lamin B antibody" 88.79 95 98.95 98.95 6.07e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $3rC34Y 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 $3rC34Y 'recombinant technology' . Escherichia coli . pET-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N pH 6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $3rC34Y 1 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N 13C pH 6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $3rC34Y 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N-13C pH 8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 20 mM 'natural abundance' $3rC34Y 1 mM '[U-13C; U-15N]' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.9 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 INOVA _Field_strength 700 _Details 'with cryo probe' 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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D HBHA(CO)NH' '3D HNCO' '3D C(CO)NH' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 3rC34Y _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 TYR C C 176.5 0.3 1 2 2 2 TYR CA C 63.5 0.3 1 3 2 2 TYR CB C 33.4 0.3 1 4 3 3 GLU H H 8.79 0.02 1 5 3 3 GLU HA H 4.77 0.02 1 6 3 3 GLU CA C 58.3 0.3 1 7 3 3 GLU CB C 29.1 0.3 1 8 3 3 GLU N N 119.1 0.3 1 9 5 5 THR H H 9.51 0.02 1 10 5 5 THR HA H 4.51 0.02 1 11 5 5 THR HB H 4.08 0.02 1 12 5 5 THR HG2 H 1.2 0.02 1 13 5 5 THR C C 174.5 0.3 1 14 5 5 THR CA C 62.7 0.3 1 15 5 5 THR CB C 69.9 0.3 1 16 5 5 THR CG2 C 21.6 0.3 1 17 5 5 THR N N 118.1 0.3 1 18 6 6 GLN H H 9 0.02 1 19 6 6 GLN HA H 4.8 0.02 1 20 6 6 GLN CA C 52.5 0.3 1 21 6 6 GLN CB C 31.9 0.3 1 22 6 6 GLN N N 127.9 0.3 1 23 8 8 PRO HA H 4.58 0.02 1 24 8 8 PRO HB2 H 2.01 0.02 2 25 8 8 PRO HB3 H 2.45 0.02 2 26 8 8 PRO C C 178.3 0.3 1 27 8 8 PRO CA C 65.1 0.3 1 28 8 8 PRO CB C 31.9 0.3 1 29 8 8 PRO CG C 27.7 0.3 1 30 9 9 SER H H 7.68 0.02 1 31 9 9 SER HA H 5.39 0.02 1 32 9 9 SER HB2 H 3.89 0.02 2 33 9 9 SER HB3 H 3.81 0.02 2 34 9 9 SER C C 172.7 0.3 1 35 9 9 SER CA C 56.9 0.3 1 36 9 9 SER CB C 65 0.3 1 37 9 9 SER N N 109.6 0.3 1 38 10 10 VAL H H 8.68 0.02 1 39 10 10 VAL HA H 4.26 0.02 1 40 10 10 VAL HB H 1.69 0.02 1 41 10 10 VAL HG1 H 0.86 0.02 1 42 10 10 VAL HG2 H 0.94 0.02 1 43 10 10 VAL C C 173.4 0.3 1 44 10 10 VAL CA C 62 0.3 1 45 10 10 VAL CB C 36.6 0.3 1 46 10 10 VAL CG1 C 21.2 0.3 1 47 10 10 VAL CG2 C 20.3 0.3 1 48 10 10 VAL N N 124.4 0.3 1 49 11 11 SER H H 8.56 0.02 1 50 11 11 SER HA H 5.75 0.02 1 51 11 11 SER HB2 H 3.67 0.02 2 52 11 11 SER HB3 H 3.74 0.02 2 53 11 11 SER C C 173.8 0.3 1 54 11 11 SER CA C 56.1 0.3 1 55 11 11 SER CB C 65.2 0.3 1 56 11 11 SER N N 121.3 0.3 1 57 12 12 VAL H H 8.57 0.02 1 58 12 12 VAL HA H 4.68 0.02 1 59 12 12 VAL HB H 2.13 0.02 1 60 12 12 VAL HG1 H 0.72 0.02 1 61 12 12 VAL HG2 H 0.81 0.02 1 62 12 12 VAL C C 173.7 0.3 1 63 12 12 VAL CA C 58.8 0.3 1 64 12 12 VAL CB C 36.3 0.3 1 65 12 12 VAL CG1 C 22.1 0.3 1 66 12 12 VAL CG2 C 19.4 0.3 1 67 12 12 VAL N N 118.9 0.3 1 68 13 13 SER H H 8.26 0.02 1 69 13 13 SER HA H 4.99 0.02 1 70 13 13 SER HB2 H 3.47 0.02 2 71 13 13 SER HB3 H 3.85 0.02 2 72 13 13 SER CA C 56.8 0.3 1 73 13 13 SER CB C 62.4 0.3 1 74 13 13 SER N N 118.3 0.3 1 75 14 14 PRO HA H 4 0.02 1 76 14 14 PRO HB2 H 1.84 0.02 2 77 14 14 PRO HB3 H 2.11 0.02 2 78 14 14 PRO C C 178 0.3 1 79 14 14 PRO CA C 63.8 0.3 1 80 14 14 PRO CB C 31 0.3 1 81 14 14 PRO CG C 27.8 0.3 1 82 14 14 PRO CD C 50.2 0.3 1 83 15 15 GLY H H 9.74 0.02 1 84 15 15 GLY HA2 H 3.23 0.02 2 85 15 15 GLY HA3 H 4.32 0.02 2 86 15 15 GLY C C 174.6 0.3 1 87 15 15 GLY CA C 44.8 0.3 1 88 15 15 GLY N N 113.5 0.3 1 89 16 16 GLN H H 7.98 0.02 1 90 16 16 GLN HA H 4.43 0.02 1 91 16 16 GLN HB2 H 2.17 0.02 1 92 16 16 GLN HB3 H 2.17 0.02 1 93 16 16 GLN HG2 H 2.37 0.02 1 94 16 16 GLN HG3 H 2.37 0.02 1 95 16 16 GLN HE21 H 7.34 0.02 1 96 16 16 GLN HE22 H 6.79 0.02 1 97 16 16 GLN C C 175.7 0.3 1 98 16 16 GLN CA C 55 0.3 1 99 16 16 GLN CB C 29.5 0.3 1 100 16 16 GLN CG C 34.3 0.3 1 101 16 16 GLN N N 120.7 0.3 1 102 16 16 GLN NE2 N 111.7 0.3 1 103 17 17 THR H H 8.89 0.02 1 104 17 17 THR HA H 4.91 0.02 1 105 17 17 THR HB H 3.925 0.02 1 106 17 17 THR HG2 H 0.79 0.02 1 107 17 17 THR C C 173.5 0.3 1 108 17 17 THR CA C 62.4 0.3 1 109 17 17 THR CB C 69.5 0.3 1 110 17 17 THR CG2 C 21.4 0.3 1 111 17 17 THR N N 120.8 0.3 1 112 18 18 ALA H H 9.06 0.02 1 113 18 18 ALA HA H 4.6 0.02 1 114 18 18 ALA HB H 1.09 0.02 1 115 18 18 ALA C C 175.2 0.3 1 116 18 18 ALA CA C 50 0.3 1 117 18 18 ALA CB C 21.6 0.3 1 118 18 18 ALA N N 131.6 0.3 1 119 19 19 SER H H 8.11 0.02 1 120 19 19 SER HA H 5.09 0.02 1 121 19 19 SER HB2 H 3.4 0.02 2 122 19 19 SER HB3 H 3.47 0.02 2 123 19 19 SER C C 173.2 0.3 1 124 19 19 SER CA C 56.7 0.3 1 125 19 19 SER CB C 64.2 0.3 1 126 19 19 SER N N 115.6 0.3 1 127 20 20 ILE H H 9.15 0.02 1 128 20 20 ILE HA H 4.11 0.02 1 129 20 20 ILE HB H 1.44 0.02 1 130 20 20 ILE HG12 H 1.18 0.02 1 131 20 20 ILE HG2 H 1.18 0.02 1 132 20 20 ILE HD1 H 0.37 0.02 1 133 20 20 ILE C C 174.3 0.3 1 134 20 20 ILE CA C 60.5 0.3 1 135 20 20 ILE CB C 35.4 0.3 1 136 20 20 ILE CG1 C 27.6 0.3 1 137 20 20 ILE CG2 C 21.4 0.3 1 138 20 20 ILE N N 126 0.3 1 139 21 21 THR H H 7.16 0.02 1 140 21 21 THR HA H 5.29 0.02 1 141 21 21 THR HB H 4.19 0.02 1 142 21 21 THR HG2 H 1.16 0.02 1 143 21 21 THR C C 173.9 0.3 1 144 21 21 THR CA C 61 0.3 1 145 21 21 THR CB C 71.7 0.3 1 146 21 21 THR CG2 C 21.4 0.3 1 147 21 21 THR N N 114.3 0.3 1 148 22 22 CYS H H 8.64 0.02 1 149 22 22 CYS HA H 5.06 0.02 1 150 22 22 CYS HB2 H 3.57 0.02 2 151 22 22 CYS HB3 H 3.5 0.02 2 152 22 22 CYS C C 173.4 0.3 1 153 22 22 CYS CA C 54.8 0.3 1 154 22 22 CYS CB C 45.6 0.3 1 155 22 22 CYS N N 120.4 0.3 1 156 23 23 SER H H 8.98 0.02 1 157 23 23 SER HA H 5.79 0.02 1 158 23 23 SER HB2 H 3.7 0.02 2 159 23 23 SER HB3 H 3.89 0.02 2 160 23 23 SER C C 173.9 0.3 1 161 23 23 SER CA C 56.9 0.3 1 162 23 23 SER CB C 66.7 0.3 1 163 23 23 SER N N 119.9 0.3 1 164 24 24 GLY H H 8.33 0.02 1 165 24 24 GLY HA2 H 4.42 0.02 2 166 24 24 GLY HA3 H 4.08 0.02 2 167 24 24 GLY C C 173.4 0.3 1 168 24 24 GLY CA C 46.2 0.3 1 169 24 24 GLY N N 110.8 0.3 1 170 25 25 ASP H H 8.79 0.02 1 171 25 25 ASP HA H 4.41 0.02 1 172 25 25 ASP HB2 H 2.65 0.02 2 173 25 25 ASP HB3 H 2.72 0.02 2 174 25 25 ASP C C 175.9 0.3 1 175 25 25 ASP CA C 56.7 0.3 1 176 25 25 ASP CB C 40.5 0.3 1 177 25 25 ASP N N 123.1 0.3 1 178 26 26 LYS H H 8.55 0.02 1 179 26 26 LYS HA H 4.13 0.02 1 180 26 26 LYS HB2 H 1.61 0.02 2 181 26 26 LYS HB3 H 1.68 0.02 2 182 26 26 LYS C C 176.6 0.3 1 183 26 26 LYS CA C 57.4 0.3 1 184 26 26 LYS CB C 32.6 0.3 1 185 26 26 LYS N N 116.4 0.3 1 186 27 27 LEU H H 7.41 0.02 1 187 27 27 LEU HA H 3.79 0.02 1 188 27 27 LEU HB2 H 1.51 0.02 2 189 27 27 LEU HB3 H 1.45 0.02 2 190 27 27 LEU HG H 1.71 0.02 1 191 27 27 LEU HD1 H 0.53 0.02 1 192 27 27 LEU HD2 H 0.67 0.02 1 193 27 27 LEU C C 177.4 0.3 1 194 27 27 LEU CA C 57 0.3 1 195 27 27 LEU CG C 27.9 0.3 1 196 27 27 LEU N N 118.6 0.3 1 197 28 28 GLY H H 7.54 0.02 1 198 28 28 GLY HA2 H 3.74 0.02 2 199 28 28 GLY HA3 H 3.88 0.02 2 200 28 28 GLY C C 174.4 0.3 1 201 28 28 GLY CA C 47.6 0.3 1 202 28 28 GLY N N 104.2 0.3 1 203 29 29 ASP H H 8.03 0.02 1 204 29 29 ASP HA H 4.56 0.02 1 205 29 29 ASP HB2 H 2.76 0.02 2 206 29 29 ASP HB3 H 2.8 0.02 2 207 29 29 ASP C C 175 0.3 1 208 29 29 ASP CA C 53.7 0.3 1 209 29 29 ASP CB C 40 0.3 1 210 29 29 ASP N N 118.6 0.3 1 211 30 30 LYS H H 7.58 0.02 1 212 30 30 LYS HA H 4.54 0.02 1 213 30 30 LYS HB2 H 1.49 0.02 2 214 30 30 LYS HB3 H 1.57 0.02 2 215 30 30 LYS HG2 H 1.42 0.02 2 216 30 30 LYS HG3 H 1.37 0.02 2 217 30 30 LYS CA C 54.2 0.3 1 218 30 30 LYS CB C 36.9 0.3 1 219 30 30 LYS N N 118.5 0.3 1 220 33 33 TYR HA H 4.94 0.02 1 221 33 33 TYR C C 174.2 0.3 1 222 33 33 TYR CA C 56.2 0.3 1 223 33 33 TYR CB C 41.6 0.3 1 224 34 34 TRP H H 9.08 0.02 1 225 34 34 TRP HA H 5.62 0.02 1 226 34 34 TRP HB2 H 2.87 0.02 2 227 34 34 TRP HB3 H 2.95 0.02 2 228 34 34 TRP HD1 H 6.55 0.02 1 229 34 34 TRP HE1 H 10.18 0.02 1 230 34 34 TRP C C 175.2 0.3 1 231 34 34 TRP CA C 55.4 0.3 1 232 34 34 TRP CB C 33.6 0.3 1 233 34 34 TRP N N 117.9 0.3 1 234 34 34 TRP NE1 N 129.5 0.3 1 235 35 35 TYR H H 9.59 0.02 1 236 35 35 TYR HA H 5.42 0.02 1 237 35 35 TYR HB2 H 2.91 0.02 2 238 35 35 TYR HB3 H 2.85 0.02 2 239 35 35 TYR HD1 H 6.89 0.02 3 240 35 35 TYR HD2 H 6.95 0.02 3 241 35 35 TYR HE1 H 6.75 0.02 3 242 35 35 TYR HE2 H 6.65 0.02 3 243 35 35 TYR C C 174.6 0.3 1 244 35 35 TYR CA C 56.7 0.3 1 245 35 35 TYR CB C 42.8 0.3 1 246 35 35 TYR N N 120 0.3 1 247 36 36 GLN H H 9.88 0.02 1 248 36 36 GLN HA H 4.34 0.02 1 249 36 36 GLN HB2 H 2.15 0.02 2 250 36 36 GLN HB3 H 2.08 0.02 2 251 36 36 GLN HG2 H 2.24 0.02 2 252 36 36 GLN HG3 H 2.21 0.02 2 253 36 36 GLN HE21 H 7.55 0.02 1 254 36 36 GLN HE22 H 6.92 0.02 1 255 36 36 GLN C C 174.5 0.3 1 256 36 36 GLN CA C 54.1 0.3 1 257 36 36 GLN CB C 34.3 0.3 1 258 36 36 GLN N N 123.5 0.3 1 259 36 36 GLN NE2 N 112.9 0.3 1 260 37 37 GLN H H 9.77 0.02 1 261 37 37 GLN HA H 4.95 0.02 1 262 37 37 GLN HB2 H 2.03 0.02 2 263 37 37 GLN HB3 H 1.73 0.02 2 264 37 37 GLN HG2 H 2.34 0.02 2 265 37 37 GLN HG3 H 2.37 0.02 2 266 37 37 GLN HE21 H 7.84 0.02 1 267 37 37 GLN HE22 H 6.29 0.02 1 268 37 37 GLN C C 174.4 0.3 1 269 37 37 GLN CA C 54.9 0.3 1 270 37 37 GLN CB C 31.9 0.3 1 271 37 37 GLN N N 129.2 0.3 1 272 37 37 GLN NE2 N 109 0.3 1 273 38 38 LYS H H 9.05 0.02 1 274 38 38 LYS HA H 4.71 0.02 1 275 38 38 LYS HB2 H 1.15 0.02 2 276 38 38 LYS HB3 H 1.08 0.02 2 277 38 38 LYS CA C 54.2 0.3 1 278 38 38 LYS CB C 32.5 0.3 1 279 38 38 LYS N N 131 0.3 1 280 39 39 PRO HA H 4.28 0.02 1 281 39 39 PRO HB2 H 1.89 0.02 2 282 39 39 PRO HB3 H 2.27 0.02 2 283 39 39 PRO C C 178.4 0.3 1 284 39 39 PRO CA C 64 0.3 1 285 39 39 PRO CB C 31.5 0.3 1 286 39 39 PRO CG C 27.4 0.3 1 287 40 40 GLY H H 8.93 0.02 1 288 40 40 GLY HA2 H 4.1 0.02 2 289 40 40 GLY HA3 H 3.74 0.02 2 290 40 40 GLY C C 173.8 0.3 1 291 40 40 GLY CA C 45.8 0.3 1 292 40 40 GLY N N 112.3 0.3 1 293 41 41 GLN H H 7.76 0.02 1 294 41 41 GLN HA H 4.75 0.02 1 295 41 41 GLN HB2 H 1.95 0.02 2 296 41 41 GLN HB3 H 2.03 0.02 2 297 41 41 GLN HG2 H 2.23 0.02 2 298 41 41 GLN HG3 H 2.29 0.02 2 299 41 41 GLN HE21 H 7.61 0.02 1 300 41 41 GLN HE22 H 6.76 0.02 1 301 41 41 GLN C C 173.8 0.3 1 302 41 41 GLN CA C 53.5 0.3 1 303 41 41 GLN CB C 31.6 0.3 1 304 41 41 GLN CG C 31.3 0.3 1 305 41 41 GLN N N 117.6 0.3 1 306 41 41 GLN NE2 N 112.3 0.3 1 307 42 42 SER H H 8.6 0.02 1 308 42 42 SER HA H 4.72 0.02 1 309 42 42 SER CA C 57.7 0.3 1 310 42 42 SER CB C 61.9 0.3 1 311 42 42 SER N N 117.8 0.3 1 312 43 43 PRO C C 176.5 0.3 1 313 43 43 PRO CA C 63.3 0.3 1 314 43 43 PRO CB C 32.3 0.3 1 315 44 44 VAL H H 9.24 0.02 1 316 44 44 VAL HA H 4.36 0.02 1 317 44 44 VAL HB H 2.04 0.02 1 318 44 44 VAL HG1 H 1 0.02 1 319 44 44 VAL HG2 H 0.81 0.02 1 320 44 44 VAL C C 175.1 0.3 1 321 44 44 VAL CA C 61 0.3 1 322 44 44 VAL CG2 C 19.8 0.3 1 323 44 44 VAL N N 124.3 0.3 1 324 45 45 LEU H H 8.66 0.02 1 325 45 45 LEU HA H 3.9 0.02 1 326 45 45 LEU HB2 H 1.74 0.02 2 327 45 45 LEU HB3 H 1.65 0.02 2 328 45 45 LEU HG H 1.27 0.02 1 329 45 45 LEU CA C 61.9 0.3 1 330 45 45 LEU N N 130.8 0.3 1 331 46 46 VAL HA H 4.36 0.02 1 332 46 46 VAL C C 173.3 0.3 1 333 46 46 VAL CA C 61.9 0.3 1 334 46 46 VAL CB C 32.9 0.3 1 335 47 47 ILE H H 6.94 0.02 1 336 47 47 ILE HA H 4.92 0.02 1 337 47 47 ILE HB H 1.75 0.02 1 338 47 47 ILE HG12 H 1.3 0.02 2 339 47 47 ILE HG13 H 1.21 0.02 2 340 47 47 ILE HG2 H 0.52 0.02 1 341 47 47 ILE HD1 H 0.85 0.02 1 342 47 47 ILE CA C 56.247 0.3 1 343 47 47 ILE N N 115.7 0.3 1 344 48 48 TYR H H 9.36 0.02 1 345 48 48 TYR HA H 4.28 0.02 1 346 48 48 TYR HB2 H 2.26 0.02 2 347 48 48 TYR HB3 H 2.19 0.02 2 348 48 48 TYR HD2 H 6.42 0.02 1 349 48 48 TYR HE2 H 6.3 0.02 1 350 48 48 TYR C C 172.2 0.3 1 351 48 48 TYR CA C 53.8 0.3 1 352 48 48 TYR CB C 42.1 0.3 1 353 48 48 TYR N N 122.2 0.3 1 354 49 49 GLN H H 5.78 0.02 1 355 49 49 GLN HA H 2.99 0.02 1 356 49 49 GLN HB2 H 1.36 0.02 2 357 49 49 GLN HB3 H 1.3 0.02 2 358 49 49 GLN HE21 H 8.15 0.02 1 359 49 49 GLN HE22 H 6.24 0.02 1 360 49 49 GLN C C 175.6 0.3 1 361 49 49 GLN CA C 56.9 0.3 1 362 49 49 GLN CB C 26.1 0.3 1 363 49 49 GLN CG C 34.1 0.3 1 364 49 49 GLN N N 114.3 0.3 1 365 49 49 GLN NE2 N 108.6 0.3 1 366 50 50 ASP H H 9.23 0.02 1 367 50 50 ASP HA H 4.21 0.02 1 368 50 50 ASP HB2 H 2.41 0.02 2 369 50 50 ASP HB3 H 2.37 0.02 2 370 50 50 ASP C C 177.8 0.3 1 371 50 50 ASP CA C 60.1 0.3 1 372 50 50 ASP CB C 41 0.3 1 373 50 50 ASP N N 113 0.3 1 374 51 51 SER H H 8.34 0.02 1 375 51 51 SER HA H 4.45 0.02 1 376 51 51 SER HB2 H 4.09 0.02 2 377 51 51 SER HB3 H 4.03 0.02 2 378 51 51 SER C C 174.7 0.3 1 379 51 51 SER CA C 57.2 0.3 1 380 51 51 SER CB C 66.3 0.3 1 381 51 51 SER N N 110.8 0.3 1 382 52 52 LYS H H 8.32 0.02 1 383 52 52 LYS HA H 4.15 0.02 1 384 52 52 LYS C C 174.2 0.3 1 385 52 52 LYS CA C 56.3 0.3 1 386 52 52 LYS CB C 31.5 0.3 1 387 52 52 LYS N N 124.2 0.3 1 388 53 53 ARG H H 8.52 0.02 1 389 53 53 ARG HA H 5.19 0.02 1 390 53 53 ARG HB2 H 1.55 0.02 2 391 53 53 ARG HB3 H 1.61 0.02 2 392 53 53 ARG CA C 52.7 0.3 1 393 53 53 ARG CB C 33.1 0.3 1 394 53 53 ARG N N 122.4 0.3 1 395 54 54 PRO HA H 4.41 0.02 1 396 54 54 PRO HB2 H 2.67 0.02 1 397 54 54 PRO C C 175.7 0.3 1 398 54 54 PRO CA C 62 0.3 1 399 54 54 PRO CB C 32.5 0.3 1 400 55 55 SER H H 8.5 0.02 1 401 55 55 SER HA H 4.23 0.02 1 402 55 55 SER HB2 H 3.87 0.02 2 403 55 55 SER HB3 H 3.84 0.02 2 404 55 55 SER C C 175.5 0.3 1 405 55 55 SER CA C 60 0.3 1 406 55 55 SER CB C 62.9 0.3 1 407 55 55 SER N N 116.4 0.3 1 408 56 56 GLY H H 8.8 0.02 1 409 56 56 GLY HA2 H 3.67 0.02 2 410 56 56 GLY HA3 H 4.2 0.02 2 411 56 56 GLY C C 174 0.3 1 412 56 56 GLY CA C 45 0.3 1 413 56 56 GLY N N 113.2 0.3 1 414 57 57 ILE H H 7.41 0.02 1 415 57 57 ILE HA H 4.58 0.02 1 416 57 57 ILE HB H 2.2 0.02 1 417 57 57 ILE HG12 H 0.56 0.02 1 418 57 57 ILE HG2 H 0.98 0.02 1 419 57 57 ILE N N 123.6 0.3 1 420 58 58 PRO HA H 4.84 0.02 1 421 58 58 PRO HB2 H 3.42 0.02 2 422 58 58 PRO HB3 H 2.97 0.02 2 423 58 58 PRO C C 175.9 0.3 1 424 58 58 PRO CA C 58.1 0.3 1 425 58 58 PRO CB C 38.4 0.3 1 426 59 59 GLU H H 8.75 0.02 1 427 59 59 GLU HA H 4.41 0.02 1 428 59 59 GLU HB2 H 1.91 0.02 2 429 59 59 GLU HB3 H 1.87 0.02 2 430 59 59 GLU C C 176.4 0.3 1 431 59 59 GLU CA C 57.9 0.3 1 432 59 59 GLU CB C 30.8 0.3 1 433 59 59 GLU CG C 37 0.3 1 434 59 59 GLU N N 121.8 0.3 1 435 60 60 ARG H H 7.82 0.02 1 436 60 60 ARG HA H 4.9 0.02 1 437 60 60 ARG HB2 H 1.33 0.02 1 438 60 60 ARG HB3 H 1.33 0.02 1 439 60 60 ARG C C 175.8 0.3 1 440 60 60 ARG CA C 57.3 0.3 1 441 60 60 ARG CB C 30.6 0.3 1 442 60 60 ARG N N 118.8 0.3 1 443 61 61 PHE H H 7.68 0.02 1 444 61 61 PHE HA H 4.72 0.02 1 445 61 61 PHE HB2 H 2.96 0.02 2 446 61 61 PHE HB3 H 2.33 0.02 2 447 61 61 PHE HD2 H 7.13 0.02 1 448 61 61 PHE HE2 H 7.04 0.02 1 449 61 61 PHE C C 174.1 0.3 1 450 61 61 PHE CA C 57.9 0.3 1 451 61 61 PHE CB C 40 0.3 1 452 61 61 PHE N N 120.8 0.3 1 453 62 62 SER H H 9.06 0.02 1 454 62 62 SER HA H 4.71 0.02 1 455 62 62 SER HB2 H 3.74 0.02 2 456 62 62 SER HB3 H 3.71 0.02 2 457 62 62 SER C C 171.8 0.3 1 458 62 62 SER CA C 57.1 0.3 1 459 62 62 SER CB C 65.9 0.3 1 460 62 62 SER N N 115.9 0.3 1 461 63 63 GLY H H 8.6 0.02 1 462 63 63 GLY HA2 H 3.77 0.02 2 463 63 63 GLY HA3 H 5.42 0.02 2 464 63 63 GLY C C 172.5 0.3 1 465 63 63 GLY CA C 44.6 0.3 1 466 63 63 GLY N N 106.2 0.3 1 467 64 64 SER H H 8.41 0.02 1 468 64 64 SER HA H 4.61 0.02 1 469 64 64 SER HB2 H 3.84 0.02 2 470 64 64 SER HB3 H 3.68 0.02 2 471 64 64 SER C C 174.4 0.3 1 472 64 64 SER CA C 56.9 0.3 1 473 64 64 SER CB C 66.6 0.3 1 474 64 64 SER N N 111.8 0.3 1 475 65 65 ASN H H 9.16 0.02 1 476 65 65 ASN HA H 5.23 0.02 1 477 65 65 ASN HB2 H 2.75 0.02 2 478 65 65 ASN HB3 H 2.81 0.02 2 479 65 65 ASN HD21 H 7.91 0.02 1 480 65 65 ASN HD22 H 7.61 0.02 1 481 65 65 ASN C C 174.3 0.3 1 482 65 65 ASN CA C 53.6 0.3 1 483 65 65 ASN CB C 39.6 0.3 1 484 65 65 ASN N N 122.4 0.3 1 485 65 65 ASN ND2 N 112.3 0.3 1 486 66 66 SER H H 8.67 0.02 1 487 66 66 SER HA H 4.61 0.02 1 488 66 66 SER HB2 H 3.9 0.02 2 489 66 66 SER HB3 H 3.97 0.02 2 490 66 66 SER C C 175.3 0.3 1 491 66 66 SER CA C 58.1 0.3 1 492 66 66 SER CB C 64.3 0.3 1 493 66 66 SER N N 120.4 0.3 1 494 67 67 GLY H H 9.18 0.02 1 495 67 67 GLY HA2 H 4.16 0.02 2 496 67 67 GLY HA3 H 3.69 0.02 2 497 67 67 GLY CA C 47 0.3 1 498 67 67 GLY N N 115.6 0.3 1 499 68 68 ASN H H 8.73 0.02 1 500 68 68 ASN HA H 4.52 0.02 1 501 68 68 ASN HB2 H 3.01 0.02 2 502 68 68 ASN HB3 H 3.05 0.02 2 503 68 68 ASN C C 174 0.3 1 504 68 68 ASN CA C 54.1 0.3 1 505 68 68 ASN CB C 37.9 0.3 1 506 68 68 ASN N N 115.1 0.3 1 507 69 69 THR H H 7.6 0.02 1 508 69 69 THR HA H 4.93 0.02 1 509 69 69 THR HB H 3.99 0.02 1 510 69 69 THR HG2 H 1.09 0.02 1 511 69 69 THR C C 172.2 0.3 1 512 69 69 THR CA C 62.4 0.3 1 513 69 69 THR CB C 72.2 0.3 1 514 69 69 THR CG2 C 21.3 0.3 1 515 69 69 THR N N 113.9 0.3 1 516 70 70 ALA H H 9.86 0.02 1 517 70 70 ALA HA H 5.52 0.02 1 518 70 70 ALA HB H 1.54 0.02 1 519 70 70 ALA C C 175.9 0.3 1 520 70 70 ALA CA C 50 0.3 1 521 70 70 ALA CB C 20.7 0.3 1 522 70 70 ALA N N 133.1 0.3 1 523 71 71 THR H H 8.66 0.02 1 524 71 71 THR HA H 5.18 0.02 1 525 71 71 THR HB H 3.66 0.02 1 526 71 71 THR HG2 H 0.78 0.02 1 527 71 71 THR C C 172.8 0.3 1 528 71 71 THR CA C 61.5 0.3 1 529 71 71 THR CB C 70.9 0.3 1 530 71 71 THR CG2 C 21.5 0.3 1 531 71 71 THR N N 117.6 0.3 1 532 72 72 LEU H H 8.75 0.02 1 533 72 72 LEU HA H 4.34 0.02 1 534 72 72 LEU HB2 H 0.27 0.02 2 535 72 72 LEU HB3 H 0.33 0.02 2 536 72 72 LEU HG H -0.7 0.02 1 537 72 72 LEU HD1 H -1.64 0.02 1 538 72 72 LEU HD2 H -1.55 0.02 1 539 72 72 LEU C C 174.4 0.3 1 540 72 72 LEU CA C 51.3 0.3 1 541 72 72 LEU N N 132.6 0.3 1 542 73 73 THR H H 8.94 0.02 1 543 73 73 THR HA H 4.86 0.02 1 544 73 73 THR HB H 3.58 0.02 1 545 73 73 THR HG2 H 0.81 0.02 1 546 73 73 THR C C 173 0.3 1 547 73 73 THR CA C 61 0.3 1 548 73 73 THR CB C 69.8 0.3 1 549 73 73 THR CG2 C 21.7 0.3 1 550 73 73 THR N N 124.1 0.3 1 551 74 74 ILE H H 8.79 0.02 1 552 74 74 ILE HA H 4.15 0.02 1 553 74 74 ILE HB H 1.42 0.02 1 554 74 74 ILE HG2 H -0.04 0.02 1 555 74 74 ILE C C 176.5 0.3 1 556 74 74 ILE CA C 59.7 0.3 1 557 74 74 ILE N N 126.3 0.3 1 558 75 75 SER H H 8.54 0.02 1 559 75 75 SER HA H 4.48 0.02 1 560 75 75 SER HB2 H 3.7 0.02 2 561 75 75 SER HB3 H 3.64 0.02 2 562 75 75 SER C C 174.6 0.3 1 563 75 75 SER CA C 57.2 0.3 1 564 75 75 SER CB C 63.6 0.3 1 565 75 75 SER N N 121.2 0.3 1 566 76 76 GLY H H 8.37 0.02 1 567 76 76 GLY HA2 H 3.55 0.02 2 568 76 76 GLY HA3 H 3.45 0.02 2 569 76 76 GLY C C 174.8 0.3 1 570 76 76 GLY CA C 47.4 0.3 1 571 76 76 GLY N N 110.8 0.3 1 572 77 77 THR H H 7.28 0.02 1 573 77 77 THR HA H 3.53 0.02 1 574 77 77 THR HB H 3.74 0.02 1 575 77 77 THR HG2 H 1.05 0.02 1 576 77 77 THR C C 174.5 0.3 1 577 77 77 THR CA C 65.1 0.3 1 578 77 77 THR CB C 68.9 0.3 1 579 77 77 THR CG2 C 23.1 0.3 1 580 77 77 THR N N 112 0.3 1 581 78 78 GLN H H 9.06 0.02 1 582 78 78 GLN HA H 4.65 0.02 1 583 78 78 GLN HB2 H 1.72 0.02 2 584 78 78 GLN HB3 H 1.68 0.02 2 585 78 78 GLN HG2 H 2.4 0.02 2 586 78 78 GLN HG3 H 2.36 0.02 2 587 78 78 GLN HE21 H 7.9 0.02 1 588 78 78 GLN HE22 H 7.63 0.02 1 589 78 78 GLN C C 176.7 0.3 1 590 78 78 GLN CA C 53 0.3 1 591 78 78 GLN CB C 32.6 0.3 1 592 78 78 GLN N N 124.6 0.3 1 593 78 78 GLN NE2 N 112.1 0.3 1 594 79 79 ALA H H 9.19 0.02 1 595 79 79 ALA HA H 3.91 0.02 1 596 79 79 ALA HB H 1.46 0.02 1 597 79 79 ALA C C 180.4 0.3 1 598 79 79 ALA CA C 56 0.3 1 599 79 79 ALA CB C 17.3 0.3 1 600 79 79 ALA N N 125 0.3 1 601 80 80 MET H H 8.27 0.02 1 602 80 80 MET HA H 4.37 0.02 1 603 80 80 MET HB2 H 2.16 0.02 2 604 80 80 MET HB3 H 2.21 0.02 2 605 80 80 MET HG2 H 2.45 0.02 2 606 80 80 MET HG3 H 2.39 0.02 2 607 80 80 MET HE H 2.12 0.02 1 608 80 80 MET C C 175.4 0.3 1 609 80 80 MET CA C 57.2 0.3 1 610 80 80 MET CB C 31.9 0.3 1 611 80 80 MET CE C 16.5 0.3 1 612 80 80 MET N N 112.7 0.3 1 613 81 81 ASP H H 8.29 0.02 1 614 81 81 ASP HA H 4.58 0.02 1 615 81 81 ASP HB2 H 2.84 0.02 2 616 81 81 ASP HB3 H 2.77 0.02 2 617 81 81 ASP C C 177.3 0.3 1 618 81 81 ASP CA C 54.4 0.3 1 619 81 81 ASP CB C 40.8 0.3 1 620 81 81 ASP N N 119.3 0.3 1 621 82 82 GLU H H 7.6 0.02 1 622 82 82 GLU HA H 4.08 0.02 1 623 82 82 GLU HB2 H 2.15 0.02 2 624 82 82 GLU HB3 H 2.25 0.02 2 625 82 82 GLU HG2 H 3.07 0.02 2 626 82 82 GLU HG3 H 3.03 0.02 2 627 82 82 GLU C C 175.2 0.3 1 628 82 82 GLU CA C 59.1 0.3 1 629 82 82 GLU CB C 29.9 0.3 1 630 82 82 GLU CG C 36.7 0.3 1 631 82 82 GLU N N 121.9 0.3 1 632 83 83 ALA H H 8.08 0.02 1 633 83 83 ALA HA H 4.4 0.02 1 634 83 83 ALA HB H 0.98 0.02 1 635 83 83 ALA C C 174.4 0.3 1 636 83 83 ALA CA C 51.4 0.3 1 637 83 83 ALA CB C 20.8 0.3 1 638 83 83 ALA N N 126.3 0.3 1 639 84 84 ASP H H 7.93 0.02 1 640 84 84 ASP HA H 5.66 0.02 1 641 84 84 ASP HB2 H 2.63 0.02 2 642 84 84 ASP HB3 H 2.19 0.02 2 643 84 84 ASP C C 175.3 0.3 1 644 84 84 ASP CA C 53.7 0.3 1 645 84 84 ASP CB C 43.2 0.3 1 646 84 84 ASP N N 117.7 0.3 1 647 85 85 TYR H H 9.39 0.02 1 648 85 85 TYR HA H 5.66 0.02 1 649 85 85 TYR HB2 H 2.8 0.02 2 650 85 85 TYR HB3 H 2.83 0.02 2 651 85 85 TYR HD2 H 6.99 0.02 1 652 85 85 TYR HE2 H 6.91 0.02 1 653 85 85 TYR C C 176.6 0.3 1 654 85 85 TYR CA C 56.9 0.3 1 655 85 85 TYR CB C 41.8 0.3 1 656 85 85 TYR N N 119.5 0.3 1 657 86 86 TYR H H 9.97 0.02 1 658 86 86 TYR HA H 4.85 0.02 1 659 86 86 TYR HB2 H 3.36 0.02 2 660 86 86 TYR HB3 H 3.33 0.02 2 661 86 86 TYR HD2 H 6.99 0.02 1 662 86 86 TYR HE2 H 6.88 0.02 1 663 86 86 TYR C C 176.4 0.3 1 664 86 86 TYR CA C 58.1 0.3 1 665 86 86 TYR CB C 41.6 0.3 1 666 86 86 TYR N N 124.1 0.3 1 667 87 87 CYS H H 8.02 0.02 1 668 87 87 CYS HA H 4.98 0.02 1 669 87 87 CYS HB2 H 1.7 0.02 2 670 87 87 CYS HB3 H 1.89 0.02 2 671 87 87 CYS C C 173.5 0.3 1 672 87 87 CYS CA C 53 0.3 1 673 87 87 CYS CB C 45.8 0.3 1 674 87 87 CYS N N 119 0.3 1 675 88 88 GLN H H 9.23 0.02 1 676 88 88 GLN HA H 4.8 0.02 1 677 88 88 GLN HB2 H 1.95 0.02 2 678 88 88 GLN HB3 H 2.01 0.02 2 679 88 88 GLN CA C 53.6 0.3 1 680 88 88 GLN CB C 33.1 0.3 1 681 88 88 GLN N N 122.6 0.3 1 682 99 99 GLY H H 8.6 0.02 1 683 99 99 GLY HA2 H 4.11 0.02 2 684 99 99 GLY HA3 H 5.08 0.02 2 685 99 99 GLY C C 175.1 0.3 1 686 99 99 GLY CA C 44 0.3 1 687 99 99 GLY N N 108.4 0.3 1 688 100 100 GLY H H 8.29 0.02 1 689 100 100 GLY HA2 H 4.78 0.02 2 690 100 100 GLY HA3 H 3.26 0.02 2 691 100 100 GLY C C 174.9 0.3 1 692 100 100 GLY CA C 45 0.3 1 693 100 100 GLY N N 105.5 0.3 1 694 101 101 GLY H H 6.98 0.02 1 695 101 101 GLY HA2 H 3.14 0.02 2 696 101 101 GLY HA3 H 3.72 0.02 2 697 101 101 GLY C C 171.9 0.3 1 698 101 101 GLY CA C 44.9 0.3 1 699 101 101 GLY N N 106.6 0.3 1 700 102 102 THR H H 8.1 0.02 1 701 102 102 THR HA H 4.67 0.02 1 702 102 102 THR HB H 3.67 0.02 1 703 102 102 THR HG2 H 1.07 0.02 1 704 102 102 THR C C 173.7 0.3 1 705 102 102 THR CA C 61.1 0.3 1 706 102 102 THR CB C 73.5 0.3 1 707 102 102 THR CG2 C 21.3 0.3 1 708 102 102 THR N N 118.3 0.3 1 709 103 103 LYS H H 8.42 0.02 1 710 103 103 LYS HA H 4.86 0.02 1 711 103 103 LYS HB2 H 1.89 0.02 2 712 103 103 LYS HB3 H 1.84 0.02 2 713 103 103 LYS C C 175 0.3 1 714 103 103 LYS CA C 56.1 0.3 1 715 103 103 LYS CB C 32.4 0.3 1 716 103 103 LYS N N 128.6 0.3 1 717 104 104 LEU H H 9.14 0.02 1 718 104 104 LEU HA H 5.51 0.02 1 719 104 104 LEU HB2 H 2.51 0.02 1 720 104 104 LEU HG H 1.34 0.02 1 721 104 104 LEU HD1 H 0.67 0.02 1 722 104 104 LEU HD2 H 0.74 0.02 1 723 104 104 LEU C C 175.9 0.3 1 724 104 104 LEU CA C 54.2 0.3 1 725 104 104 LEU CD1 C 20.8 0.3 1 726 104 104 LEU CD2 C 20.6 0.3 1 727 104 104 LEU N N 133.8 0.3 1 728 105 105 THR H H 8.89 0.02 1 729 105 105 THR HA H 4.57 0.02 1 730 105 105 THR HB H 4.01 0.02 1 731 105 105 THR HG2 H 1.15 0.02 1 732 105 105 THR C C 172.7 0.3 1 733 105 105 THR CA C 61.1 0.3 1 734 105 105 THR CB C 70.9 0.3 1 735 105 105 THR CG2 C 21.3 0.3 1 736 105 105 THR N N 123.1 0.3 1 737 106 106 VAL H H 8.92 0.02 1 738 106 106 VAL HA H 4.83 0.02 1 739 106 106 VAL HB H 1.9 0.02 1 740 106 106 VAL HG1 H 0.63 0.02 1 741 106 106 VAL HG2 H 0.57 0.02 1 742 106 106 VAL C C 175.2 0.3 1 743 106 106 VAL CA C 60.7 0.3 1 744 106 106 VAL CB C 32.1 0.3 1 745 106 106 VAL CG1 C 20.6 0.3 1 746 106 106 VAL CG2 C 20.4 0.3 1 747 106 106 VAL N N 126.6 0.3 1 748 107 107 LEU H H 8.59 0.02 1 749 107 107 LEU HA H 4.08 0.02 1 750 107 107 LEU HB2 H 1.53 0.02 2 751 107 107 LEU HB3 H 1.47 0.02 2 752 107 107 LEU HG H 0.78 0.02 1 753 107 107 LEU CA C 57.6 0.3 1 754 107 107 LEU N N 133.7 0.3 1 stop_ save_