data_17290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3 ; _BMRB_accession_number 17290 _BMRB_flat_file_name bmr17290.str _Entry_type original _Submission_date 2010-11-09 _Accession_date 2010-11-09 _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 Wood Kathleen . . 2 Paz Aviv . . 3 Dijkstra Klaas . . 4 Scheek Ruud M. . 5 Otten Renee . . 6 Silman Israel . . 7 Sussman Joel . . 8 Mulder Frans A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 650 "13C chemical shifts" 517 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-07-01 update BMRB 'update entry citation' 2011-05-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain NMR assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21647611 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wood Kathleen . . 2 Paz Aviv . . 3 Dijkstra Klaas . . 4 Scheek Ruud M. . 5 Otten Renee . . 6 Silman Israel . . 7 Sussman Joel L. . 8 Mulder Frans A.A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15 _Page_last 18 _Year 2012 _Details . loop_ _Keyword 'cytoplasmic domain' IDP 'intriniscally disordered protein' 'neuronal cell adhesion' 'PDZ-binding domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hNLG3cyt _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hNLG3cyt $hNLG3cyt 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_hNLG3cyt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hNLG3cyt _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'neuronal cell adhesion' 'protein-protein interaction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MYRKDKRRQEPLRQPSPQRG AWAPELGAAPEEELAALQLG PTHHECEASPPHDTLRLTAL PDYTLTLRRSPDDIPLMTPN TITMIPNSLVGLQTLHPYNT FAAGFNSTGLPHSHSTTRV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 TYR 23 ARG 24 LYS 25 ASP 26 LYS 27 ARG 28 ARG 29 GLN 30 GLU 31 PRO 32 LEU 33 ARG 34 GLN 35 PRO 36 SER 37 PRO 38 GLN 39 ARG 40 GLY 41 ALA 42 TRP 43 ALA 44 PRO 45 GLU 46 LEU 47 GLY 48 ALA 49 ALA 50 PRO 51 GLU 52 GLU 53 GLU 54 LEU 55 ALA 56 ALA 57 LEU 58 GLN 59 LEU 60 GLY 61 PRO 62 THR 63 HIS 64 HIS 65 GLU 66 CYS 67 GLU 68 ALA 69 SER 70 PRO 71 PRO 72 HIS 73 ASP 74 THR 75 LEU 76 ARG 77 LEU 78 THR 79 ALA 80 LEU 81 PRO 82 ASP 83 TYR 84 THR 85 LEU 86 THR 87 LEU 88 ARG 89 ARG 90 SER 91 PRO 92 ASP 93 ASP 94 ILE 95 PRO 96 LEU 97 MET 98 THR 99 PRO 100 ASN 101 THR 102 ILE 103 THR 104 MET 105 ILE 106 PRO 107 ASN 108 SER 109 LEU 110 VAL 111 GLY 112 LEU 113 GLN 114 THR 115 LEU 116 HIS 117 PRO 118 TYR 119 ASN 120 THR 121 PHE 122 ALA 123 ALA 124 GLY 125 PHE 126 ASN 127 SER 128 THR 129 GLY 130 LEU 131 PRO 132 HIS 133 SER 134 HIS 135 SER 136 THR 137 THR 138 ARG 139 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 DBJ BAA96004 "KIAA1480 protein [Homo sapiens]" 84.89 682 98.31 98.31 1.02e-71 DBJ BAC11226 "unnamed protein product [Homo sapiens]" 84.89 335 98.31 98.31 5.90e-74 DBJ BAG10465 "neuroligin-3 precursor [synthetic construct]" 84.89 808 98.31 98.31 2.52e-70 DBJ BAG37248 "unnamed protein product [Homo sapiens]" 84.89 828 98.31 98.31 2.35e-70 DBJ BAH12284 "unnamed protein product [Homo sapiens]" 84.89 691 98.31 98.31 1.34e-71 GB AAF71230 "neuroligin 3 isoform HNL3 [Homo sapiens]" 84.89 828 98.31 98.31 2.85e-70 GB AAF71232 "neuroligin 3 isoform [Homo sapiens]" 84.89 828 98.31 98.31 2.17e-70 GB AAF71233 "neuroligin 3 isoform [Homo sapiens]" 84.89 848 98.31 98.31 2.39e-70 GB AAH51715 "Neuroligin 3 [Homo sapiens]" 84.89 828 100.00 100.00 5.20e-73 GB AAI23786 "Neuroligin 3 [Bos taurus]" 84.89 808 97.46 97.46 1.10e-69 REF NP_001068972 "neuroligin-3 precursor [Bos taurus]" 84.89 808 97.46 97.46 1.10e-69 REF NP_001126437 "neuroligin-3 precursor [Pongo abelii]" 84.89 828 98.31 98.31 2.19e-70 REF NP_001160132 "neuroligin-3 isoform 3 precursor [Homo sapiens]" 84.89 808 98.31 98.31 2.52e-70 REF NP_061850 "neuroligin-3 isoform 2 precursor [Homo sapiens]" 84.89 828 98.31 98.31 2.17e-70 REF NP_851820 "neuroligin-3 isoform 1 precursor [Homo sapiens]" 84.89 848 98.31 98.31 2.39e-70 SP Q9NZ94 "RecName: Full=Neuroligin-3; AltName: Full=Gliotactin homolog; Flags: Precursor" 84.89 848 98.31 98.31 2.39e-70 TPG DAA12918 "TPA: neuroligin 3 [Bos taurus]" 84.89 808 97.46 97.46 1.10e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $hNLG3cyt Human 9606 Eukaryota Metazoa Homo sapiens NLGN3 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 $hNLG3cyt 'recombinant technology' . Escherichia coli BLR(DE3) pET28a 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 $hNLG3cyt 1 mM '[U-99% 13C; U-99% 15N]' DSS 0.1 mM 'natural abundance' DTT 1 mM 'natural abundance' azide 0.02 % 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # 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_C-TOCSY-(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-TOCSY-(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_4D_(HA)CACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (HA)CACONH' _Sample_label $sample_1 save_ save_3D_(HN)CO(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HN)CO(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_COCAHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D COCAHA' _Sample_label $sample_1 save_ save_3D_HNN_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HNcN_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNcN' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 pH 6 . 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 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D COCAHA' 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 hNLG3cyt _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 10 10 HIS HA H 4.718 0.000 1 2 10 10 HIS HB2 H 3.133 0.001 2 3 10 10 HIS HB3 H 3.231 0.008 2 4 10 10 HIS C C 174.794 0.033 1 5 10 10 HIS CA C 55.785 0.048 1 6 10 10 HIS CB C 29.827 0.026 1 7 11 11 SER H H 8.376 0.006 1 8 11 11 SER HA H 4.457 0.003 1 9 11 11 SER HB2 H 3.821 0.005 2 10 11 11 SER HB3 H 3.826 0.000 2 11 11 11 SER C C 174.585 0.015 1 12 11 11 SER CA C 58.363 0.071 1 13 11 11 SER CB C 63.858 0.042 1 14 11 11 SER N N 117.106 0.017 1 15 12 12 SER H H 8.517 0.006 1 16 12 12 SER HA H 4.447 0.009 1 17 12 12 SER HB2 H 3.884 0.003 2 18 12 12 SER HB3 H 3.885 0.004 2 19 12 12 SER C C 174.936 0.011 1 20 12 12 SER CA C 58.617 0.070 1 21 12 12 SER CB C 63.846 0.056 1 22 12 12 SER N N 118.200 0.041 1 23 13 13 GLY H H 8.407 0.005 1 24 13 13 GLY HA2 H 3.931 0.008 2 25 13 13 GLY HA3 H 3.938 0.001 2 26 13 13 GLY C C 173.788 0.007 1 27 13 13 GLY CA C 45.250 0.028 1 28 13 13 GLY N N 110.552 0.018 1 29 14 14 LEU H H 8.065 0.010 1 30 14 14 LEU HA H 4.343 0.006 1 31 14 14 LEU HB2 H 1.539 0.013 2 32 14 14 LEU HB3 H 1.539 0.013 2 33 14 14 LEU HG H 1.540 0.014 1 34 14 14 LEU HD1 H 0.854 0.016 1 35 14 14 LEU HD2 H 0.827 0.011 1 36 14 14 LEU C C 177.117 0.018 1 37 14 14 LEU CA C 55.049 0.053 1 38 14 14 LEU CB C 42.414 0.031 1 39 14 14 LEU CG C 27.010 0.000 1 40 14 14 LEU CD1 C 24.881 0.000 1 41 14 14 LEU CD2 C 23.546 0.000 1 42 14 14 LEU N N 121.614 0.031 1 43 15 15 VAL H H 8.128 0.005 1 44 15 15 VAL HA H 4.375 0.003 1 45 15 15 VAL HB H 2.032 0.002 1 46 15 15 VAL HG1 H 0.908 0.001 1 47 15 15 VAL HG2 H 0.901 0.008 1 48 15 15 VAL C C 174.414 0.000 1 49 15 15 VAL CA C 59.791 0.022 1 50 15 15 VAL CB C 32.630 0.002 1 51 15 15 VAL CG1 C 21.110 0.000 1 52 15 15 VAL CG2 C 20.411 0.000 1 53 15 15 VAL N N 122.818 0.027 1 54 16 16 PRO HA H 4.381 0.002 1 55 16 16 PRO HB2 H 2.252 0.000 2 56 16 16 PRO HB3 H 1.854 0.000 2 57 16 16 PRO HG2 H 2.007 0.000 2 58 16 16 PRO HG3 H 1.924 0.000 2 59 16 16 PRO HD2 H 3.630 0.000 2 60 16 16 PRO HD3 H 3.847 0.000 2 61 16 16 PRO C C 176.899 0.012 1 62 16 16 PRO CA C 63.124 0.074 1 63 16 16 PRO CB C 32.115 0.045 1 64 16 16 PRO CG C 27.513 0.000 1 65 16 16 PRO CD C 51.036 0.000 1 66 17 17 ARG H H 8.483 0.005 1 67 17 17 ARG HA H 4.245 0.006 1 68 17 17 ARG HB2 H 1.801 0.024 2 69 17 17 ARG HB3 H 1.766 0.012 2 70 17 17 ARG HG2 H 1.663 0.019 2 71 17 17 ARG HG3 H 1.628 0.016 2 72 17 17 ARG HD2 H 3.176 0.013 2 73 17 17 ARG HD3 H 3.176 0.013 2 74 17 17 ARG C C 176.984 0.008 1 75 17 17 ARG CA C 56.459 0.040 1 76 17 17 ARG CB C 30.869 0.046 1 77 17 17 ARG CG C 27.108 0.000 1 78 17 17 ARG CD C 43.344 0.000 1 79 17 17 ARG N N 121.985 0.017 1 80 18 18 GLY H H 8.478 0.004 1 81 18 18 GLY HA2 H 3.954 0.008 2 82 18 18 GLY HA3 H 3.960 0.002 2 83 18 18 GLY C C 174.221 0.021 1 84 18 18 GLY CA C 45.306 0.028 1 85 18 18 GLY N N 110.210 0.026 1 86 19 19 SER H H 8.211 0.004 1 87 19 19 SER HA H 4.389 0.021 1 88 19 19 SER HB2 H 3.809 0.000 1 89 19 19 SER HB3 H 3.809 0.000 1 90 19 19 SER C C 174.609 0.000 1 91 19 19 SER CA C 58.614 0.045 1 92 19 19 SER CB C 63.773 0.000 1 93 19 19 SER N N 115.467 0.031 1 94 20 20 HIS HA H 4.578 0.000 1 95 20 20 HIS HB2 H 3.091 0.000 1 96 20 20 HIS HB3 H 3.091 0.000 1 97 20 20 HIS C C 174.921 0.028 1 98 20 20 HIS CA C 56.139 0.052 1 99 20 20 HIS CB C 29.842 0.022 1 100 21 21 MET H H 8.177 0.006 1 101 21 21 MET HA H 4.343 0.007 1 102 21 21 MET HB2 H 2.306 0.000 2 103 21 21 MET HB3 H 1.847 0.019 2 104 21 21 MET HG2 H 2.365 0.004 2 105 21 21 MET HG3 H 2.369 0.000 2 106 21 21 MET HE H 2.046 0.000 1 107 21 21 MET C C 175.652 0.021 1 108 21 21 MET CA C 55.588 0.038 1 109 21 21 MET CB C 32.693 0.017 1 110 21 21 MET CG C 31.835 0.014 1 111 21 21 MET CE C 17.048 0.000 1 112 21 21 MET N N 120.755 0.056 1 113 22 22 TYR H H 8.149 0.005 1 114 22 22 TYR HA H 4.542 0.005 1 115 22 22 TYR HB2 H 3.027 0.004 1 116 22 22 TYR HB3 H 2.917 0.002 1 117 22 22 TYR C C 175.547 0.022 1 118 22 22 TYR CA C 57.836 0.020 1 119 22 22 TYR CB C 38.727 0.017 1 120 22 22 TYR N N 121.295 0.037 1 121 23 23 ARG H H 8.164 0.005 1 122 23 23 ARG HA H 4.329 0.000 1 123 23 23 ARG C C 175.919 0.016 1 124 23 23 ARG CA C 55.854 0.074 1 125 23 23 ARG CB C 31.041 0.042 1 126 23 23 ARG CG C 27.220 0.000 1 127 23 23 ARG CD C 43.300 0.000 1 128 23 23 ARG N N 123.007 0.021 1 129 24 24 LYS H H 8.359 0.005 1 130 24 24 LYS HA H 4.210 0.003 1 131 24 24 LYS HB2 H 1.798 0.007 1 132 24 24 LYS HB3 H 1.718 0.001 1 133 24 24 LYS HG2 H 1.398 0.012 2 134 24 24 LYS HG3 H 1.401 0.014 2 135 24 24 LYS HD2 H 1.673 0.000 1 136 24 24 LYS HD3 H 1.673 0.000 1 137 24 24 LYS HE2 H 2.971 0.007 2 138 24 24 LYS HE3 H 2.978 0.000 2 139 24 24 LYS C C 176.147 0.010 1 140 24 24 LYS CA C 56.632 0.041 1 141 24 24 LYS CB C 32.949 0.042 1 142 24 24 LYS CG C 24.821 0.033 1 143 24 24 LYS CD C 29.315 0.000 1 144 24 24 LYS CE C 42.133 0.015 1 145 24 24 LYS N N 122.776 0.054 1 146 25 25 ASP H H 8.331 0.004 1 147 25 25 ASP HA H 4.552 0.011 1 148 25 25 ASP HB2 H 2.665 0.015 2 149 25 25 ASP HB3 H 2.639 0.011 2 150 25 25 ASP C C 176.156 0.019 1 151 25 25 ASP CA C 54.062 0.031 1 152 25 25 ASP CB C 41.306 0.027 1 153 25 25 ASP N N 121.051 0.042 1 154 26 26 LYS H H 8.258 0.005 1 155 26 26 LYS HA H 4.247 0.002 1 156 26 26 LYS HB2 H 1.778 0.055 1 157 26 26 LYS HG2 H 1.389 0.005 1 158 26 26 LYS HG3 H 1.389 0.005 1 159 26 26 LYS HE3 H 2.961 0.000 1 160 26 26 LYS C C 176.577 0.019 1 161 26 26 LYS CA C 56.493 0.056 1 162 26 26 LYS CB C 32.796 0.011 1 163 26 26 LYS CG C 24.853 0.000 1 164 26 26 LYS CD C 29.301 0.000 1 165 26 26 LYS CE C 42.107 0.000 1 166 26 26 LYS N N 121.940 0.022 1 167 27 27 ARG H H 8.324 0.004 1 168 27 27 ARG HA H 4.247 0.005 1 169 27 27 ARG HB2 H 1.788 0.002 1 170 27 27 ARG HB3 H 1.788 0.002 1 171 27 27 ARG HG2 H 1.612 0.004 1 172 27 27 ARG HG3 H 1.612 0.004 1 173 27 27 ARG HD2 H 3.167 0.000 1 174 27 27 ARG HD3 H 3.167 0.000 1 175 27 27 ARG C C 176.365 0.004 1 176 27 27 ARG CA C 56.334 0.049 1 177 27 27 ARG CB C 30.724 0.089 1 178 27 27 ARG CD C 43.356 0.000 1 179 27 27 ARG N N 121.566 0.050 1 180 28 28 ARG H H 8.308 0.006 1 181 28 28 ARG HA H 4.272 0.008 1 182 28 28 ARG HB2 H 1.811 0.010 2 183 28 28 ARG HB3 H 1.728 0.002 2 184 28 28 ARG HG2 H 1.585 0.000 1 185 28 28 ARG HG3 H 1.585 0.000 1 186 28 28 ARG HD2 H 3.163 0.000 1 187 28 28 ARG HD3 H 3.163 0.000 1 188 28 28 ARG C C 175.979 0.006 1 189 28 28 ARG CA C 56.066 0.076 1 190 28 28 ARG CB C 30.826 0.043 1 191 28 28 ARG CG C 27.072 0.000 1 192 28 28 ARG CD C 43.318 0.000 1 193 28 28 ARG N N 122.094 0.031 1 194 29 29 GLN H H 8.430 0.005 1 195 29 29 GLN HA H 4.313 0.006 1 196 29 29 GLN HB2 H 2.051 0.000 2 197 29 29 GLN HB3 H 1.933 0.000 2 198 29 29 GLN HG2 H 2.313 0.000 1 199 29 29 GLN HG3 H 2.313 0.000 1 200 29 29 GLN C C 175.507 0.023 1 201 29 29 GLN CA C 55.573 0.038 1 202 29 29 GLN CB C 29.673 0.025 1 203 29 29 GLN CG C 33.886 0.000 1 204 29 29 GLN N N 122.129 0.018 1 205 30 30 GLU H H 8.438 0.005 1 206 30 30 GLU HA H 4.557 0.007 1 207 30 30 GLU HB2 H 2.018 0.000 2 208 30 30 GLU HB3 H 1.862 0.003 2 209 30 30 GLU HG2 H 2.273 0.000 1 210 30 30 GLU HG3 H 2.273 0.000 1 211 30 30 GLU C C 174.480 0.000 1 212 30 30 GLU CA C 54.440 0.007 1 213 30 30 GLU CB C 29.729 0.018 1 214 30 30 GLU N N 124.088 0.030 1 215 31 31 PRO HA H 4.387 0.010 1 216 31 31 PRO HB2 H 2.245 0.000 1 217 31 31 PRO HG2 H 1.979 0.000 1 218 31 31 PRO HG3 H 1.979 0.000 1 219 31 31 PRO HD2 H 3.670 0.000 2 220 31 31 PRO HD3 H 3.754 0.000 2 221 31 31 PRO C C 176.643 0.008 1 222 31 31 PRO CA C 63.024 0.056 1 223 31 31 PRO CB C 32.074 0.028 1 224 31 31 PRO CG C 27.253 0.000 1 225 31 31 PRO CD C 50.583 0.000 1 226 32 32 LEU H H 8.308 0.004 1 227 32 32 LEU HA H 4.283 0.002 1 228 32 32 LEU HD1 H 0.855 0.000 1 229 32 32 LEU HD2 H 0.903 0.000 1 230 32 32 LEU C C 177.281 0.003 1 231 32 32 LEU CA C 55.363 0.087 1 232 32 32 LEU CB C 42.355 0.029 1 233 32 32 LEU CD1 C 24.917 0.000 1 234 32 32 LEU CD2 C 23.681 0.000 1 235 32 32 LEU N N 122.057 0.025 1 236 33 33 ARG H H 8.299 0.005 1 237 33 33 ARG HA H 4.319 0.007 1 238 33 33 ARG HB2 H 1.783 0.000 2 239 33 33 ARG HB3 H 1.705 0.000 2 240 33 33 ARG HG2 H 1.575 0.002 2 241 33 33 ARG HG3 H 1.539 0.003 2 242 33 33 ARG HD2 H 3.143 0.003 1 243 33 33 ARG HD3 H 3.143 0.003 1 244 33 33 ARG C C 175.797 0.011 1 245 33 33 ARG CA C 55.787 0.028 1 246 33 33 ARG CB C 30.920 0.081 1 247 33 33 ARG CG C 27.146 0.001 1 248 33 33 ARG CD C 43.279 0.000 1 249 33 33 ARG N N 122.074 0.024 1 250 34 34 GLN H H 8.355 0.006 1 251 34 34 GLN HA H 4.582 0.004 1 252 34 34 GLN HB2 H 2.067 0.000 2 253 34 34 GLN HB3 H 1.895 0.003 2 254 34 34 GLN HG2 H 2.352 0.000 1 255 34 34 GLN HG3 H 2.352 0.000 1 256 34 34 GLN C C 173.902 0.000 1 257 34 34 GLN CA C 53.584 0.016 1 258 34 34 GLN CB C 28.983 0.023 1 259 34 34 GLN N N 122.576 0.058 1 260 35 35 PRO HA H 4.400 0.005 1 261 35 35 PRO HB2 H 2.244 0.000 2 262 35 35 PRO HB3 H 1.874 0.000 2 263 35 35 PRO HG2 H 1.978 0.000 1 264 35 35 PRO HG3 H 1.978 0.000 1 265 35 35 PRO HD2 H 3.747 0.000 2 266 35 35 PRO HD3 H 3.634 0.000 2 267 35 35 PRO C C 176.546 0.005 1 268 35 35 PRO CA C 63.069 0.054 1 269 35 35 PRO CB C 32.070 0.089 1 270 35 35 PRO CG C 27.419 0.025 1 271 35 35 PRO CD C 50.556 0.000 1 272 36 36 SER H H 8.399 0.005 1 273 36 36 SER HA H 4.716 0.008 1 274 36 36 SER HB2 H 3.836 0.000 1 275 36 36 SER HB3 H 3.836 0.000 1 276 36 36 SER C C 173.043 0.000 1 277 36 36 SER CA C 56.415 0.013 1 278 36 36 SER CB C 63.517 0.000 1 279 36 36 SER N N 117.302 0.016 1 280 37 37 PRO HA H 4.392 0.001 1 281 37 37 PRO HB2 H 2.247 0.000 2 282 37 37 PRO HB3 H 1.876 0.000 2 283 37 37 PRO HG2 H 1.970 0.000 1 284 37 37 PRO HG3 H 1.970 0.000 1 285 37 37 PRO HD2 H 3.773 0.000 2 286 37 37 PRO HD3 H 3.689 0.000 2 287 37 37 PRO C C 176.912 0.017 1 288 37 37 PRO CA C 63.397 0.026 1 289 37 37 PRO CB C 32.007 0.016 1 290 37 37 PRO CG C 27.429 0.000 1 291 37 37 PRO CD C 50.731 0.000 1 292 38 38 GLN H H 8.354 0.005 1 293 38 38 GLN HA H 4.279 0.019 1 294 38 38 GLN HB2 H 2.067 0.000 2 295 38 38 GLN HB3 H 1.934 0.000 2 296 38 38 GLN HG2 H 2.331 0.001 2 297 38 38 GLN HG3 H 2.329 0.003 2 298 38 38 GLN C C 175.944 0.015 1 299 38 38 GLN CA C 55.910 0.034 1 300 38 38 GLN CB C 29.327 0.044 1 301 38 38 GLN CG C 33.845 0.010 1 302 38 38 GLN N N 120.046 0.027 1 303 39 39 ARG H H 8.346 0.005 1 304 39 39 ARG HA H 4.285 0.007 1 305 39 39 ARG HB2 H 1.831 0.001 2 306 39 39 ARG HB3 H 1.748 0.001 2 307 39 39 ARG HG2 H 1.602 0.001 1 308 39 39 ARG HG3 H 1.602 0.001 1 309 39 39 ARG HD2 H 3.144 0.000 1 310 39 39 ARG HD3 H 3.144 0.000 1 311 39 39 ARG C C 176.612 0.022 1 312 39 39 ARG CA C 56.282 0.034 1 313 39 39 ARG CB C 30.796 0.041 1 314 39 39 ARG CG C 27.038 0.000 1 315 39 39 ARG CD C 43.287 0.000 1 316 39 39 ARG N N 122.265 0.027 1 317 40 40 GLY H H 8.343 0.004 1 318 40 40 GLY HA2 H 3.858 0.005 2 319 40 40 GLY HA3 H 3.860 0.001 2 320 40 40 GLY C C 173.571 0.008 1 321 40 40 GLY CA C 45.128 0.018 1 322 40 40 GLY N N 110.182 0.015 1 323 41 41 ALA H H 8.111 0.003 1 324 41 41 ALA HA H 4.271 0.008 1 325 41 41 ALA HB H 1.283 0.004 1 326 41 41 ALA C C 177.139 0.011 1 327 41 41 ALA CA C 52.399 0.036 1 328 41 41 ALA CB C 19.223 0.056 1 329 41 41 ALA N N 123.607 0.031 1 330 42 42 TRP H H 8.119 0.004 1 331 42 42 TRP HA H 4.553 0.004 1 332 42 42 TRP HB2 H 3.200 0.004 1 333 42 42 TRP HB3 H 3.200 0.004 1 334 42 42 TRP HD1 H 7.203 0.000 1 335 42 42 TRP HE1 H 10.087 0.004 1 336 42 42 TRP HZ2 H 7.436 0.000 1 337 42 42 TRP C C 175.080 0.017 1 338 42 42 TRP CA C 57.331 0.039 1 339 42 42 TRP CB C 29.700 0.019 1 340 42 42 TRP N N 120.545 0.021 1 341 42 42 TRP NE1 N 129.518 0.002 1 342 43 43 ALA H H 7.721 0.007 1 343 43 43 ALA HA H 4.410 0.005 1 344 43 43 ALA HB H 1.199 0.004 1 345 43 43 ALA C C 174.643 0.000 1 346 43 43 ALA CA C 50.162 0.004 1 347 43 43 ALA CB C 18.831 0.042 1 348 43 43 ALA N N 127.726 0.030 1 349 44 44 PRO HA H 4.175 0.001 1 350 44 44 PRO HB2 H 2.211 0.000 2 351 44 44 PRO HB3 H 1.838 0.000 2 352 44 44 PRO HG2 H 1.918 0.000 1 353 44 44 PRO HG3 H 1.918 0.000 1 354 44 44 PRO HD2 H 3.396 0.000 2 355 44 44 PRO HD3 H 3.514 0.000 2 356 44 44 PRO C C 177.188 0.019 1 357 44 44 PRO CA C 63.324 0.054 1 358 44 44 PRO CB C 31.923 0.062 1 359 44 44 PRO CG C 27.267 0.000 1 360 44 44 PRO CD C 50.219 0.000 1 361 45 45 GLU H H 8.674 0.005 1 362 45 45 GLU HA H 4.179 0.005 1 363 45 45 GLU HB2 H 1.995 0.000 2 364 45 45 GLU HB3 H 1.930 0.000 2 365 45 45 GLU HG2 H 2.231 0.005 1 366 45 45 GLU HG3 H 2.231 0.005 1 367 45 45 GLU C C 176.657 0.017 1 368 45 45 GLU CA C 56.895 0.046 1 369 45 45 GLU CB C 29.627 0.038 1 370 45 45 GLU CG C 36.130 0.000 1 371 45 45 GLU N N 119.997 0.010 1 372 46 46 LEU H H 8.137 0.004 1 373 46 46 LEU HA H 4.293 0.006 1 374 46 46 LEU HB2 H 1.621 0.004 2 375 46 46 LEU HB3 H 1.560 0.005 2 376 46 46 LEU HG H 1.556 0.001 1 377 46 46 LEU HD1 H 0.843 0.006 1 378 46 46 LEU HD2 H 0.827 0.009 1 379 46 46 LEU C C 177.859 0.003 1 380 46 46 LEU CA C 55.370 0.032 1 381 46 46 LEU CB C 42.157 0.032 1 382 46 46 LEU CG C 26.956 0.000 1 383 46 46 LEU CD1 C 25.009 0.000 1 384 46 46 LEU CD2 C 23.345 0.000 1 385 46 46 LEU N N 122.559 0.048 1 386 47 47 GLY H H 8.278 0.007 1 387 47 47 GLY HA2 H 3.907 0.008 2 388 47 47 GLY HA3 H 3.926 0.008 2 389 47 47 GLY C C 173.478 0.032 1 390 47 47 GLY CA C 45.176 0.024 1 391 47 47 GLY N N 109.269 0.018 1 392 48 48 ALA H H 8.032 0.005 1 393 48 48 ALA HA H 4.301 0.004 1 394 48 48 ALA HB H 1.327 0.006 1 395 48 48 ALA C C 177.049 0.026 1 396 48 48 ALA CA C 52.091 0.061 1 397 48 48 ALA CB C 19.641 0.071 1 398 48 48 ALA N N 123.393 0.021 1 399 49 49 ALA H H 8.314 0.004 1 400 49 49 ALA HA H 4.459 0.005 1 401 49 49 ALA HB H 1.287 0.003 1 402 49 49 ALA C C 175.581 0.000 1 403 49 49 ALA CA C 50.482 0.024 1 404 49 49 ALA CB C 18.126 0.013 1 405 49 49 ALA N N 124.864 0.022 1 406 50 50 PRO HA H 4.356 0.002 1 407 50 50 PRO HB2 H 2.265 0.000 2 408 50 50 PRO HB3 H 1.882 0.000 2 409 50 50 PRO HG2 H 1.973 0.000 1 410 50 50 PRO HG3 H 1.973 0.000 1 411 50 50 PRO HD2 H 3.664 0.000 2 412 50 50 PRO HD3 H 3.581 0.000 2 413 50 50 PRO C C 177.377 0.016 1 414 50 50 PRO CA C 63.396 0.027 1 415 50 50 PRO CB C 32.044 0.050 1 416 50 50 PRO CG C 27.549 0.000 1 417 50 50 PRO CD C 50.318 0.000 1 418 51 51 GLU H H 8.651 0.006 1 419 51 51 GLU HA H 4.140 0.007 1 420 51 51 GLU HB2 H 1.953 0.000 1 421 51 51 GLU HB3 H 1.953 0.000 1 422 51 51 GLU HG2 H 2.284 0.004 1 423 51 51 GLU HG3 H 2.284 0.004 1 424 51 51 GLU C C 177.202 0.018 1 425 51 51 GLU CA C 57.556 0.037 1 426 51 51 GLU CB C 29.855 0.025 1 427 51 51 GLU CG C 36.312 0.000 1 428 51 51 GLU N N 120.580 0.025 1 429 52 52 GLU H H 8.435 0.005 1 430 52 52 GLU HA H 4.199 0.004 1 431 52 52 GLU HB2 H 1.981 0.000 1 432 52 52 GLU HB3 H 1.981 0.000 1 433 52 52 GLU HG2 H 2.251 0.001 1 434 52 52 GLU HG3 H 2.251 0.001 1 435 52 52 GLU C C 177.055 0.017 1 436 52 52 GLU CA C 57.289 0.029 1 437 52 52 GLU CB C 30.082 0.018 1 438 52 52 GLU CG C 36.340 0.000 1 439 52 52 GLU N N 120.989 0.019 1 440 53 53 GLU H H 8.259 0.005 1 441 53 53 GLU HA H 4.196 0.004 1 442 53 53 GLU HB2 H 2.022 0.000 2 443 53 53 GLU HB3 H 1.940 0.003 2 444 53 53 GLU HG2 H 2.267 0.004 2 445 53 53 GLU HG3 H 2.204 0.005 2 446 53 53 GLU C C 177.035 0.010 1 447 53 53 GLU CA C 57.184 0.023 1 448 53 53 GLU CB C 30.038 0.047 1 449 53 53 GLU CG C 36.216 0.024 1 450 53 53 GLU N N 121.515 0.022 1 451 54 54 LEU H H 8.086 0.004 1 452 54 54 LEU HA H 4.212 0.004 1 453 54 54 LEU HB2 H 1.641 0.005 2 454 54 54 LEU HB3 H 1.575 0.011 2 455 54 54 LEU HG H 1.557 0.007 1 456 54 54 LEU HD1 H 0.881 0.000 1 457 54 54 LEU HD2 H 0.824 0.000 1 458 54 54 LEU C C 177.954 0.031 1 459 54 54 LEU CA C 55.928 0.076 1 460 54 54 LEU CB C 42.006 0.035 1 461 54 54 LEU CG C 26.899 0.000 1 462 54 54 LEU CD1 C 24.961 0.000 1 463 54 54 LEU CD2 C 23.671 0.000 1 464 54 54 LEU N N 122.096 0.022 1 465 55 55 ALA H H 8.134 0.006 1 466 55 55 ALA HA H 4.186 0.003 1 467 55 55 ALA HB H 1.379 0.005 1 468 55 55 ALA C C 178.259 0.023 1 469 55 55 ALA CA C 53.294 0.043 1 470 55 55 ALA CB C 18.844 0.042 1 471 55 55 ALA N N 123.496 0.054 1 472 56 56 ALA H H 7.967 0.005 1 473 56 56 ALA HA H 4.215 0.006 1 474 56 56 ALA HB H 1.380 0.009 1 475 56 56 ALA C C 178.253 0.009 1 476 56 56 ALA CA C 52.968 0.083 1 477 56 56 ALA CB C 18.854 0.053 1 478 56 56 ALA N N 121.442 0.016 1 479 57 57 LEU H H 7.902 0.006 1 480 57 57 LEU HA H 4.241 0.005 1 481 57 57 LEU HB2 H 1.681 0.001 2 482 57 57 LEU HB3 H 1.562 0.006 2 483 57 57 LEU HG H 1.562 0.006 1 484 57 57 LEU HD1 H 0.895 0.000 1 485 57 57 LEU HD2 H 0.838 0.002 1 486 57 57 LEU C C 177.511 0.007 1 487 57 57 LEU CA C 55.544 0.015 1 488 57 57 LEU CB C 42.310 0.044 1 489 57 57 LEU CG C 26.948 0.000 1 490 57 57 LEU CD1 C 25.125 0.000 1 491 57 57 LEU CD2 C 23.540 0.000 1 492 57 57 LEU N N 119.812 0.021 1 493 58 58 GLN H H 8.109 0.005 1 494 58 58 GLN HA H 4.274 0.006 1 495 58 58 GLN HB2 H 2.080 0.009 2 496 58 58 GLN HB3 H 1.985 0.000 2 497 58 58 GLN HG2 H 2.337 0.002 1 498 58 58 GLN HG3 H 2.337 0.002 1 499 58 58 GLN C C 175.797 0.042 1 500 58 58 GLN CA C 55.801 0.045 1 501 58 58 GLN CB C 29.125 0.086 1 502 58 58 GLN CG C 33.849 0.000 1 503 58 58 GLN N N 119.842 0.033 1 504 59 59 LEU H H 8.140 0.005 1 505 59 59 LEU HA H 4.361 0.001 1 506 59 59 LEU HB2 H 1.609 0.000 1 507 59 59 LEU HB3 H 1.545 0.000 1 508 59 59 LEU HG H 1.545 0.000 1 509 59 59 LEU HD1 H 0.864 0.000 1 510 59 59 LEU HD2 H 0.806 0.000 1 511 59 59 LEU C C 177.555 0.008 1 512 59 59 LEU CA C 55.080 0.064 1 513 59 59 LEU CB C 42.642 0.037 1 514 59 59 LEU CG C 26.927 0.000 1 515 59 59 LEU CD1 C 25.084 0.000 1 516 59 59 LEU CD2 C 23.165 0.000 1 517 59 59 LEU N N 122.631 0.060 1 518 60 60 GLY H H 8.155 0.005 1 519 60 60 GLY HA2 H 4.065 0.015 2 520 60 60 GLY HA3 H 4.093 0.009 2 521 60 60 GLY C C 171.954 0.003 1 522 60 60 GLY CA C 44.710 0.027 1 523 60 60 GLY N N 109.162 0.024 1 524 61 61 PRO HA H 4.457 0.004 1 525 61 61 PRO HB2 H 2.247 0.001 2 526 61 61 PRO HB3 H 1.881 0.000 2 527 61 61 PRO HG2 H 1.986 0.000 1 528 61 61 PRO HG3 H 1.986 0.000 1 529 61 61 PRO HD2 H 3.616 0.000 1 530 61 61 PRO HD3 H 3.616 0.000 1 531 61 61 PRO C C 177.439 0.017 1 532 61 61 PRO CA C 63.277 0.044 1 533 61 61 PRO CB C 32.117 0.092 1 534 61 61 PRO CG C 27.231 0.000 1 535 61 61 PRO CD C 49.762 0.000 1 536 62 62 THR H H 8.237 0.004 1 537 62 62 THR HA H 4.245 0.005 1 538 62 62 THR HB H 4.130 0.002 1 539 62 62 THR HG2 H 1.121 0.001 1 540 62 62 THR C C 174.360 0.010 1 541 62 62 THR CA C 61.942 0.053 1 542 62 62 THR CB C 69.754 0.059 1 543 62 62 THR CG2 C 21.702 0.000 1 544 62 62 THR N N 113.612 0.015 1 545 63 63 HIS H H 8.362 0.004 1 546 63 63 HIS HA H 4.638 0.000 1 547 63 63 HIS C C 174.367 0.039 1 548 63 63 HIS CA C 55.605 0.033 1 549 63 63 HIS CB C 29.606 0.000 1 550 63 63 HIS N N 120.841 0.025 1 551 64 64 HIS HA H 4.641 0.003 1 552 64 64 HIS HB2 H 3.188 0.000 2 553 64 64 HIS HB3 H 3.065 0.000 2 554 64 64 HIS C C 174.459 0.038 1 555 64 64 HIS CA C 55.532 0.057 1 556 64 64 HIS CB C 29.748 0.017 1 557 65 65 GLU H H 8.735 0.008 1 558 65 65 GLU HA H 4.261 0.003 1 559 65 65 GLU HB2 H 2.040 0.000 2 560 65 65 GLU HB3 H 1.928 0.000 2 561 65 65 GLU HG2 H 2.273 0.001 1 562 65 65 GLU HG3 H 2.273 0.001 1 563 65 65 GLU C C 176.340 0.020 1 564 65 65 GLU CA C 56.896 0.070 1 565 65 65 GLU CB C 30.038 0.044 1 566 65 65 GLU CG C 36.149 0.000 1 567 65 65 GLU N N 122.859 0.023 1 568 66 66 CYS H H 8.487 0.005 1 569 66 66 CYS HA H 4.461 0.004 1 570 66 66 CYS HB2 H 2.923 0.000 1 571 66 66 CYS HB3 H 2.923 0.000 1 572 66 66 CYS C C 174.465 0.029 1 573 66 66 CYS CA C 58.518 0.096 1 574 66 66 CYS CB C 28.082 0.039 1 575 66 66 CYS N N 119.744 0.018 1 576 67 67 GLU H H 8.460 0.005 1 577 67 67 GLU HA H 4.259 0.005 1 578 67 67 GLU HB2 H 2.051 0.000 2 579 67 67 GLU HB3 H 1.931 0.000 2 580 67 67 GLU HG2 H 2.268 0.001 1 581 67 67 GLU HG3 H 2.268 0.001 1 582 67 67 GLU C C 175.956 0.015 1 583 67 67 GLU CA C 56.574 0.028 1 584 67 67 GLU CB C 30.313 0.010 1 585 67 67 GLU CG C 36.250 0.000 1 586 67 67 GLU N N 123.416 0.035 1 587 68 68 ALA H H 8.342 0.005 1 588 68 68 ALA HA H 4.320 0.005 1 589 68 68 ALA HB H 1.358 0.004 1 590 68 68 ALA C C 177.419 0.020 1 591 68 68 ALA CA C 52.425 0.033 1 592 68 68 ALA CB C 19.340 0.049 1 593 68 68 ALA N N 125.271 0.022 1 594 69 69 SER H H 8.270 0.005 1 595 69 69 SER HA H 4.705 0.008 1 596 69 69 SER HB2 H 3.860 0.000 2 597 69 69 SER HB3 H 3.750 0.000 2 598 69 69 SER C C 172.034 0.000 1 599 69 69 SER CA C 56.407 0.080 1 600 69 69 SER CB C 63.174 0.000 1 601 69 69 SER N N 116.672 0.016 1 602 71 71 PRO HA H 4.377 0.005 1 603 71 71 PRO HB2 H 2.266 0.000 2 604 71 71 PRO HB3 H 1.884 0.000 2 605 71 71 PRO HG2 H 1.996 0.000 1 606 71 71 PRO HG3 H 1.996 0.000 1 607 71 71 PRO HD2 H 3.671 0.000 2 608 71 71 PRO HD3 H 3.595 0.000 2 609 71 71 PRO C C 176.852 0.059 1 610 71 71 PRO CA C 62.989 0.024 1 611 71 71 PRO CB C 32.087 0.019 1 612 71 71 PRO CG C 27.319 0.000 1 613 71 71 PRO CD C 50.486 0.000 1 614 72 72 HIS H H 8.525 0.009 1 615 72 72 HIS HA H 4.630 0.006 1 616 72 72 HIS HB2 H 3.169 0.000 1 617 72 72 HIS HB3 H 3.169 0.000 1 618 72 72 HIS C C 174.553 0.041 1 619 72 72 HIS CA C 55.676 0.042 1 620 72 72 HIS CB C 29.547 0.023 1 621 72 72 HIS N N 118.799 0.029 1 622 73 73 ASP H H 8.398 0.006 1 623 73 73 ASP HA H 4.620 0.005 1 624 73 73 ASP HB2 H 2.644 0.028 2 625 73 73 ASP HB3 H 2.642 0.034 2 626 73 73 ASP C C 176.452 0.011 1 627 73 73 ASP CA C 54.441 0.041 1 628 73 73 ASP CB C 41.233 0.019 1 629 73 73 ASP N N 121.280 0.045 1 630 74 74 THR H H 8.171 0.004 1 631 74 74 THR HA H 4.232 0.004 1 632 74 74 THR HB H 4.232 0.005 1 633 74 74 THR HG2 H 1.179 0.002 1 634 74 74 THR C C 174.750 0.013 1 635 74 74 THR CA C 62.372 0.069 1 636 74 74 THR CB C 69.605 0.049 1 637 74 74 THR CG2 C 21.775 0.000 1 638 74 74 THR N N 114.611 0.036 1 639 75 75 LEU H H 8.210 0.004 1 640 75 75 LEU HA H 4.292 0.007 1 641 75 75 LEU HB2 H 1.648 0.005 2 642 75 75 LEU HB3 H 1.554 0.011 2 643 75 75 LEU HG H 1.561 0.004 1 644 75 75 LEU HD1 H 0.892 0.000 1 645 75 75 LEU HD2 H 0.835 0.000 1 646 75 75 LEU C C 177.235 0.040 1 647 75 75 LEU CA C 55.398 0.107 1 648 75 75 LEU CB C 42.204 0.091 1 649 75 75 LEU CG C 26.976 0.000 1 650 75 75 LEU CD1 C 24.803 0.000 1 651 75 75 LEU CD2 C 23.601 0.000 1 652 75 75 LEU N N 124.289 0.046 1 653 76 76 ARG H H 8.210 0.004 1 654 76 76 ARG HA H 4.306 0.005 1 655 76 76 ARG HB2 H 1.810 0.000 2 656 76 76 ARG HB3 H 1.735 0.000 2 657 76 76 ARG HG2 H 1.560 0.000 1 658 76 76 ARG HG3 H 1.560 0.000 1 659 76 76 ARG HD2 H 3.160 0.000 1 660 76 76 ARG HD3 H 3.160 0.000 1 661 76 76 ARG C C 176.134 0.025 1 662 76 76 ARG CA C 55.966 0.074 1 663 76 76 ARG CB C 30.547 0.063 1 664 76 76 ARG CG C 27.093 0.000 1 665 76 76 ARG CD C 43.293 0.000 1 666 76 76 ARG N N 121.727 0.074 1 667 77 77 LEU H H 8.248 0.004 1 668 77 77 LEU HA H 4.365 0.003 1 669 77 77 LEU HB2 H 1.661 0.008 2 670 77 77 LEU HB3 H 1.571 0.002 2 671 77 77 LEU HG H 1.567 0.006 1 672 77 77 LEU HD1 H 0.903 0.000 1 673 77 77 LEU HD2 H 0.842 0.000 1 674 77 77 LEU C C 177.513 0.007 1 675 77 77 LEU CA C 55.354 0.055 1 676 77 77 LEU CB C 42.302 0.053 1 677 77 77 LEU CG C 26.941 0.000 1 678 77 77 LEU CD1 C 25.030 0.000 1 679 77 77 LEU CD2 C 23.474 0.000 1 680 77 77 LEU N N 123.175 0.040 1 681 78 78 THR H H 7.998 0.005 1 682 78 78 THR HA H 4.255 0.004 1 683 78 78 THR HB H 4.170 0.009 1 684 78 78 THR HG2 H 1.170 0.007 1 685 78 78 THR C C 173.886 0.025 1 686 78 78 THR CA C 61.716 0.052 1 687 78 78 THR CB C 69.835 0.069 1 688 78 78 THR CG2 C 21.643 0.000 1 689 78 78 THR N N 113.979 0.034 1 690 79 79 ALA H H 8.162 0.005 1 691 79 79 ALA HA H 4.327 0.003 1 692 79 79 ALA HB H 1.333 0.005 1 693 79 79 ALA C C 177.149 0.020 1 694 79 79 ALA CA C 52.156 0.033 1 695 79 79 ALA CB C 19.454 0.060 1 696 79 79 ALA N N 126.133 0.022 1 697 80 80 LEU H H 8.167 0.005 1 698 80 80 LEU HA H 4.548 0.020 1 699 80 80 LEU HB2 H 1.670 0.000 2 700 80 80 LEU HB3 H 1.564 0.000 2 701 80 80 LEU HD1 H 0.872 0.000 1 702 80 80 LEU HD2 H 0.890 0.000 1 703 80 80 LEU C C 175.358 0.001 1 704 80 80 LEU CA C 53.023 0.011 1 705 80 80 LEU CB C 41.704 0.000 1 706 80 80 LEU CD2 C 23.329 0.000 1 707 80 80 LEU N N 122.972 0.036 1 708 81 81 PRO HA H 4.294 0.002 1 709 81 81 PRO HB2 H 2.132 0.002 2 710 81 81 PRO HB3 H 1.588 0.004 2 711 81 81 PRO HG2 H 1.941 0.000 1 712 81 81 PRO HG3 H 1.941 0.000 1 713 81 81 PRO HD2 H 3.792 0.000 2 714 81 81 PRO HD3 H 3.578 0.000 2 715 81 81 PRO C C 176.149 0.011 1 716 81 81 PRO CA C 63.061 0.053 1 717 81 81 PRO CB C 32.002 0.041 1 718 81 81 PRO CG C 27.490 0.000 1 719 81 81 PRO CD C 50.450 0.000 1 720 82 82 ASP H H 8.243 0.005 1 721 82 82 ASP HA H 4.509 0.001 1 722 82 82 ASP HB2 H 2.667 0.000 2 723 82 82 ASP HB3 H 2.556 0.000 2 724 82 82 ASP C C 176.711 0.014 1 725 82 82 ASP CA C 54.024 0.034 1 726 82 82 ASP CB C 40.977 0.034 1 727 82 82 ASP N N 119.675 0.031 1 728 83 83 TYR H H 8.188 0.004 1 729 83 83 TYR HA H 4.553 0.005 1 730 83 83 TYR HB2 H 3.126 0.004 2 731 83 83 TYR HB3 H 2.978 0.002 2 732 83 83 TYR C C 176.469 0.016 1 733 83 83 TYR CA C 58.579 0.024 1 734 83 83 TYR CB C 38.178 0.040 1 735 83 83 TYR N N 121.747 0.031 1 736 84 84 THR H H 8.152 0.005 1 737 84 84 THR HA H 4.139 0.004 1 738 84 84 THR HB H 4.137 0.001 1 739 84 84 THR HG2 H 1.148 0.000 1 740 84 84 THR C C 174.997 0.019 1 741 84 84 THR CA C 63.204 0.070 1 742 84 84 THR CB C 69.506 0.066 1 743 84 84 THR CG2 C 21.723 0.000 1 744 84 84 THR N N 114.717 0.041 1 745 85 85 LEU H H 7.909 0.005 1 746 85 85 LEU HA H 4.315 0.005 1 747 85 85 LEU HB2 H 1.677 0.006 2 748 85 85 LEU HB3 H 1.605 0.011 2 749 85 85 LEU HG H 1.609 0.015 1 750 85 85 LEU HD1 H 0.917 0.000 1 751 85 85 LEU HD2 H 0.848 0.000 1 752 85 85 LEU C C 177.658 0.010 1 753 85 85 LEU CA C 55.765 0.023 1 754 85 85 LEU CB C 42.214 0.007 1 755 85 85 LEU CG C 26.878 0.000 1 756 85 85 LEU CD1 C 25.028 0.000 1 757 85 85 LEU CD2 C 23.569 0.000 1 758 85 85 LEU N N 122.995 0.021 1 759 86 86 THR H H 7.937 0.006 1 760 86 86 THR HA H 4.258 0.002 1 761 86 86 THR HB H 4.179 0.001 1 762 86 86 THR HG2 H 1.187 0.008 1 763 86 86 THR C C 174.393 0.034 1 764 86 86 THR CA C 62.226 0.073 1 765 86 86 THR CB C 69.697 0.056 1 766 86 86 THR CG2 C 21.712 0.000 1 767 86 86 THR N N 113.902 0.055 1 768 87 87 LEU H H 7.992 0.004 1 769 87 87 LEU HA H 4.310 0.005 1 770 87 87 LEU HB2 H 1.601 0.000 2 771 87 87 LEU HB3 H 1.597 0.000 2 772 87 87 LEU HG H 1.595 0.000 1 773 87 87 LEU C C 176.978 0.023 1 774 87 87 LEU CA C 55.323 0.054 1 775 87 87 LEU CB C 42.326 0.072 1 776 87 87 LEU CG C 26.962 0.000 1 777 87 87 LEU CD1 C 24.912 0.000 1 778 87 87 LEU CD2 C 23.624 0.000 1 779 87 87 LEU N N 124.013 0.022 1 780 88 88 ARG H H 8.221 0.005 1 781 88 88 ARG HA H 4.308 0.008 1 782 88 88 ARG HB2 H 1.812 0.004 2 783 88 88 ARG HB3 H 1.728 0.005 2 784 88 88 ARG HG2 H 1.581 0.012 2 785 88 88 ARG HG3 H 1.574 0.003 2 786 88 88 ARG HD2 H 3.155 0.001 2 787 88 88 ARG HD3 H 3.156 0.000 2 788 88 88 ARG C C 175.884 0.051 1 789 88 88 ARG CA C 55.908 0.020 1 790 88 88 ARG CB C 30.781 0.087 1 791 88 88 ARG CG C 27.052 0.000 1 792 88 88 ARG CD C 43.387 0.026 1 793 88 88 ARG N N 121.861 0.051 1 794 89 89 ARG H H 8.390 0.004 1 795 89 89 ARG HA H 4.367 0.008 1 796 89 89 ARG HB2 H 1.842 0.001 2 797 89 89 ARG HB3 H 1.726 0.000 2 798 89 89 ARG HG2 H 1.608 0.001 2 799 89 89 ARG HG3 H 1.610 0.002 2 800 89 89 ARG HD2 H 3.158 0.000 1 801 89 89 ARG HD3 H 3.158 0.000 1 802 89 89 ARG C C 175.983 0.017 1 803 89 89 ARG CA C 55.817 0.053 1 804 89 89 ARG CB C 31.239 0.074 1 805 89 89 ARG CG C 27.171 0.023 1 806 89 89 ARG CD C 43.305 0.000 1 807 89 89 ARG N N 122.862 0.031 1 808 90 90 SER H H 8.540 0.005 1 809 90 90 SER HA H 4.747 0.000 1 810 90 90 SER HB2 H 3.885 0.000 2 811 90 90 SER HB3 H 3.897 0.000 2 812 90 90 SER C C 173.455 0.000 1 813 90 90 SER CA C 56.400 0.026 1 814 90 90 SER CB C 63.492 0.000 1 815 90 90 SER N N 118.962 0.033 1 816 91 91 PRO HA H 4.381 0.001 1 817 91 91 PRO HB2 H 2.296 0.000 2 818 91 91 PRO HB3 H 1.990 0.000 2 819 91 91 PRO HG2 H 1.990 0.000 1 820 91 91 PRO HG3 H 1.990 0.000 1 821 91 91 PRO HD2 H 3.797 0.000 2 822 91 91 PRO HD3 H 3.758 0.000 2 823 91 91 PRO C C 176.682 0.014 1 824 91 91 PRO CA C 63.962 0.043 1 825 91 91 PRO CB C 31.968 0.035 1 826 91 91 PRO CG C 27.519 0.000 1 827 91 91 PRO CD C 50.775 0.000 1 828 92 92 ASP H H 8.127 0.005 1 829 92 92 ASP HA H 4.546 0.006 1 830 92 92 ASP HB2 H 2.677 0.004 2 831 92 92 ASP HB3 H 2.523 0.004 2 832 92 92 ASP C C 175.815 0.015 1 833 92 92 ASP CA C 54.393 0.015 1 834 92 92 ASP CB C 41.025 0.024 1 835 92 92 ASP N N 117.881 0.016 1 836 93 93 ASP H H 7.988 0.004 1 837 93 93 ASP HA H 4.560 0.005 1 838 93 93 ASP HB2 H 2.685 0.012 2 839 93 93 ASP HB3 H 2.604 0.003 2 840 93 93 ASP C C 175.723 0.032 1 841 93 93 ASP CA C 54.348 0.033 1 842 93 93 ASP CB C 41.184 0.038 1 843 93 93 ASP N N 120.103 0.022 1 844 94 94 ILE H H 7.934 0.004 1 845 94 94 ILE HA H 4.380 0.008 1 846 94 94 ILE HB H 1.843 0.013 1 847 94 94 ILE HG13 H 1.140 0.001 1 848 94 94 ILE HG2 H 0.923 0.005 1 849 94 94 ILE HD1 H 0.833 0.000 1 850 94 94 ILE C C 174.639 0.000 1 851 94 94 ILE CA C 58.839 0.068 1 852 94 94 ILE CB C 38.555 0.034 1 853 94 94 ILE CG1 C 27.057 0.000 1 854 94 94 ILE CG2 C 17.267 0.000 1 855 94 94 ILE CD1 C 12.858 0.000 1 856 94 94 ILE N N 122.328 0.028 1 857 95 95 PRO HA H 4.383 0.001 1 858 95 95 PRO HB2 H 2.235 0.000 2 859 95 95 PRO HB3 H 1.929 0.077 2 860 95 95 PRO HG2 H 1.944 0.000 1 861 95 95 PRO HD2 H 3.831 0.000 2 862 95 95 PRO HD3 H 3.643 0.000 2 863 95 95 PRO C C 176.595 0.008 1 864 95 95 PRO CA C 63.126 0.084 1 865 95 95 PRO CB C 32.075 0.035 1 866 95 95 PRO CG C 27.522 0.000 1 867 95 95 PRO CD C 50.952 0.000 1 868 96 96 LEU H H 8.245 0.006 1 869 96 96 LEU HA H 4.289 0.011 1 870 96 96 LEU HB2 H 1.635 0.000 2 871 96 96 LEU HB3 H 1.587 0.016 2 872 96 96 LEU HG H 1.592 0.020 1 873 96 96 LEU HD1 H 0.904 0.000 1 874 96 96 LEU HD2 H 0.866 0.000 1 875 96 96 LEU C C 177.302 0.007 1 876 96 96 LEU CA C 55.182 0.056 1 877 96 96 LEU CB C 42.507 0.028 1 878 96 96 LEU CG C 27.087 0.000 1 879 96 96 LEU CD1 C 24.917 0.000 1 880 96 96 LEU CD2 C 23.739 0.000 1 881 96 96 LEU N N 122.228 0.075 1 882 97 97 MET H H 8.326 0.004 1 883 97 97 MET HA H 4.525 0.003 1 884 97 97 MET HB2 H 1.995 0.000 2 885 97 97 MET HB3 H 1.997 0.000 2 886 97 97 MET HG2 H 2.489 0.001 2 887 97 97 MET HG3 H 2.574 0.007 2 888 97 97 MET HE H 2.044 0.000 1 889 97 97 MET C C 175.868 0.019 1 890 97 97 MET CA C 55.123 0.026 1 891 97 97 MET CB C 32.995 0.040 1 892 97 97 MET CG C 32.056 0.000 1 893 97 97 MET CE C 17.097 0.000 1 894 97 97 MET N N 121.327 0.041 1 895 98 98 THR H H 8.166 0.005 1 896 98 98 THR HA H 4.582 0.005 1 897 98 98 THR HB H 4.164 0.000 1 898 98 98 THR HG2 H 1.220 0.006 1 899 98 98 THR C C 172.928 0.000 1 900 98 98 THR CA C 59.686 0.041 1 901 98 98 THR CB C 69.693 0.000 1 902 98 98 THR CG2 C 21.410 0.000 1 903 98 98 THR N N 117.780 0.050 1 904 99 99 PRO HA H 4.393 0.004 1 905 99 99 PRO HB2 H 2.287 0.000 2 906 99 99 PRO HB3 H 1.901 0.000 2 907 99 99 PRO HG2 H 2.010 0.000 2 908 99 99 PRO HG3 H 2.010 0.000 2 909 99 99 PRO HD2 H 3.823 0.000 2 910 99 99 PRO HD3 H 3.704 0.000 2 911 99 99 PRO C C 176.615 0.010 1 912 99 99 PRO CA C 63.461 0.048 1 913 99 99 PRO CB C 32.252 0.039 1 914 99 99 PRO CG C 27.398 0.000 1 915 99 99 PRO CD C 51.041 0.000 1 916 100 100 ASN H H 8.491 0.007 1 917 100 100 ASN HA H 4.686 0.015 1 918 100 100 ASN HB2 H 2.820 0.009 2 919 100 100 ASN HB3 H 2.764 0.000 2 920 100 100 ASN C C 175.370 0.013 1 921 100 100 ASN CA C 53.396 0.035 1 922 100 100 ASN CB C 38.763 0.031 1 923 100 100 ASN N N 118.407 0.084 1 924 101 101 THR H H 8.044 0.005 1 925 101 101 THR HA H 4.308 0.003 1 926 101 101 THR HB H 4.200 0.005 1 927 101 101 THR HG2 H 1.160 0.009 1 928 101 101 THR C C 174.493 0.018 1 929 101 101 THR CA C 62.112 0.041 1 930 101 101 THR CB C 69.798 0.072 1 931 101 101 THR CG2 C 21.703 0.040 1 932 101 101 THR N N 114.425 0.035 1 933 102 102 ILE H H 8.161 0.004 1 934 102 102 ILE HA H 4.224 0.012 1 935 102 102 ILE HB H 1.876 0.001 1 936 102 102 ILE HG2 H 0.878 0.004 1 937 102 102 ILE HD1 H 0.835 0.006 1 938 102 102 ILE C C 176.235 0.015 1 939 102 102 ILE CA C 61.290 0.046 1 940 102 102 ILE CB C 38.728 0.060 1 941 102 102 ILE CG1 C 27.479 0.000 1 942 102 102 ILE CG2 C 17.630 0.037 1 943 102 102 ILE CD1 C 13.000 0.047 1 944 102 102 ILE N N 123.080 0.048 1 945 103 103 THR H H 8.171 0.005 1 946 103 103 THR HA H 4.305 0.006 1 947 103 103 THR HB H 4.136 0.005 1 948 103 103 THR HG2 H 1.172 0.009 1 949 103 103 THR C C 174.107 0.007 1 950 103 103 THR CA C 61.918 0.064 1 951 103 103 THR CB C 69.682 0.074 1 952 103 103 THR CG2 C 21.713 0.000 1 953 103 103 THR N N 118.349 0.041 1 954 104 104 MET H H 8.296 0.005 1 955 104 104 MET HA H 4.470 0.004 1 956 104 104 MET HB2 H 2.018 0.000 2 957 104 104 MET HB3 H 1.972 0.001 2 958 104 104 MET HG2 H 2.476 0.003 2 959 104 104 MET HG3 H 2.535 0.009 2 960 104 104 MET HE H 2.048 0.000 1 961 104 104 MET C C 175.534 0.016 1 962 104 104 MET CA C 55.219 0.039 1 963 104 104 MET CB C 32.978 0.046 1 964 104 104 MET CG C 32.026 0.031 1 965 104 104 MET CE C 17.122 0.000 1 966 104 104 MET N N 123.423 0.032 1 967 105 105 ILE H H 8.208 0.005 1 968 105 105 ILE HA H 4.426 0.004 1 969 105 105 ILE HB H 1.849 0.004 1 970 105 105 ILE HG2 H 0.919 0.003 1 971 105 105 ILE HD1 H 0.831 0.000 1 972 105 105 ILE C C 174.604 0.000 1 973 105 105 ILE CA C 58.641 0.017 1 974 105 105 ILE CB C 38.625 0.013 1 975 105 105 ILE CG2 C 17.183 0.000 1 976 105 105 ILE CD1 C 12.721 0.000 1 977 105 105 ILE N N 124.195 0.034 1 978 106 106 PRO HA H 4.382 0.000 1 979 106 106 PRO C C 176.673 0.023 1 980 106 106 PRO CA C 63.194 0.016 1 981 106 106 PRO CB C 32.103 0.031 1 982 106 106 PRO CG C 27.356 0.000 1 983 106 106 PRO CD C 50.991 0.000 1 984 107 107 ASN H H 8.520 0.004 1 985 107 107 ASN HA H 4.608 0.006 1 986 107 107 ASN HB2 H 2.811 0.002 2 987 107 107 ASN HB3 H 2.811 0.002 2 988 107 107 ASN C C 175.450 0.014 1 989 107 107 ASN CA C 53.667 0.026 1 990 107 107 ASN CB C 38.682 0.026 1 991 107 107 ASN N N 118.774 0.026 1 992 108 108 SER H H 8.210 0.004 1 993 108 108 SER HA H 4.377 0.004 1 994 108 108 SER HB2 H 3.892 0.004 2 995 108 108 SER HB3 H 3.821 0.000 2 996 108 108 SER C C 174.650 0.027 1 997 108 108 SER CA C 58.601 0.052 1 998 108 108 SER CB C 63.757 0.043 1 999 108 108 SER N N 115.420 0.024 1 1000 109 109 LEU H H 8.260 0.005 1 1001 109 109 LEU HA H 4.378 0.004 1 1002 109 109 LEU HB2 H 1.641 0.005 2 1003 109 109 LEU HB3 H 1.596 0.002 2 1004 109 109 LEU HG H 1.594 0.004 1 1005 109 109 LEU HD1 H 0.893 0.000 1 1006 109 109 LEU HD2 H 0.837 0.000 1 1007 109 109 LEU C C 177.498 0.019 1 1008 109 109 LEU CA C 55.379 0.034 1 1009 109 109 LEU CB C 42.170 0.058 1 1010 109 109 LEU CG C 27.130 0.000 1 1011 109 109 LEU CD1 C 25.094 0.000 1 1012 109 109 LEU CD2 C 23.464 0.000 1 1013 109 109 LEU N N 123.486 0.074 1 1014 110 110 VAL H H 7.870 0.005 1 1015 110 110 VAL HA H 4.035 0.006 1 1016 110 110 VAL HB H 2.048 0.003 1 1017 110 110 VAL HG1 H 0.918 0.000 1 1018 110 110 VAL HG2 H 0.920 0.003 1 1019 110 110 VAL C C 176.768 0.012 1 1020 110 110 VAL CA C 62.877 0.042 1 1021 110 110 VAL CB C 32.571 0.018 1 1022 110 110 VAL CG1 C 20.906 0.021 1 1023 110 110 VAL CG2 C 20.860 0.096 1 1024 110 110 VAL N N 119.855 0.031 1 1025 111 111 GLY H H 8.395 0.005 1 1026 111 111 GLY HA2 H 3.923 0.003 2 1027 111 111 GLY HA3 H 3.925 0.001 2 1028 111 111 GLY C C 174.278 0.013 1 1029 111 111 GLY CA C 45.342 0.014 1 1030 111 111 GLY N N 111.868 0.029 1 1031 112 112 LEU H H 8.034 0.009 1 1032 112 112 LEU HA H 4.306 0.004 1 1033 112 112 LEU HB2 H 1.607 0.001 2 1034 112 112 LEU HB3 H 1.607 0.001 2 1035 112 112 LEU HG H 1.607 0.001 1 1036 112 112 LEU HD1 H 0.905 0.000 1 1037 112 112 LEU HD2 H 0.848 0.000 1 1038 112 112 LEU C C 177.646 0.019 1 1039 112 112 LEU CA C 55.517 0.058 1 1040 112 112 LEU CB C 42.391 0.050 1 1041 112 112 LEU CG C 27.145 0.000 1 1042 112 112 LEU CD1 C 24.973 0.000 1 1043 112 112 LEU CD2 C 23.683 0.000 1 1044 112 112 LEU N N 121.608 0.017 1 1045 113 113 GLN H H 8.413 0.005 1 1046 113 113 GLN HA H 4.339 0.008 1 1047 113 113 GLN HB2 H 2.105 0.000 2 1048 113 113 GLN HB3 H 1.986 0.000 2 1049 113 113 GLN HG2 H 2.353 0.001 2 1050 113 113 GLN HG3 H 2.353 0.001 2 1051 113 113 GLN C C 176.084 0.003 1 1052 113 113 GLN CA C 56.029 0.041 1 1053 113 113 GLN CB C 29.273 0.008 1 1054 113 113 GLN CG C 33.893 0.000 1 1055 113 113 GLN N N 120.629 0.028 1 1056 114 114 THR H H 8.029 0.006 1 1057 114 114 THR HA H 4.242 0.011 1 1058 114 114 THR HB H 4.127 0.001 1 1059 114 114 THR HG2 H 1.121 0.007 1 1060 114 114 THR C C 174.211 0.047 1 1061 114 114 THR CA C 61.963 0.059 1 1062 114 114 THR CB C 69.635 0.039 1 1063 114 114 THR CG2 C 21.644 0.005 1 1064 114 114 THR N N 114.919 0.048 1 1065 115 115 LEU H H 8.113 0.004 1 1066 115 115 LEU HA H 4.257 0.004 1 1067 115 115 LEU HB2 H 1.543 0.001 2 1068 115 115 LEU HB3 H 1.406 0.001 2 1069 115 115 LEU HG H 1.405 0.000 1 1070 115 115 LEU HD1 H 0.863 0.000 1 1071 115 115 LEU HD2 H 0.800 0.000 1 1072 115 115 LEU C C 176.586 0.019 1 1073 115 115 LEU CA C 55.187 0.019 1 1074 115 115 LEU CB C 42.485 0.033 1 1075 115 115 LEU CG C 27.033 0.000 1 1076 115 115 LEU CD1 C 24.843 0.000 1 1077 115 115 LEU CD2 C 23.530 0.000 1 1078 115 115 LEU N N 123.929 0.057 1 1079 116 116 HIS H H 8.306 0.006 1 1080 116 116 HIS HA H 4.901 0.007 1 1081 116 116 HIS HB2 H 3.028 0.000 2 1082 116 116 HIS HB3 H 3.028 0.000 2 1083 116 116 HIS C C 172.718 0.000 1 1084 116 116 HIS CA C 53.285 0.008 1 1085 116 116 HIS CB C 29.340 0.000 1 1086 116 116 HIS N N 119.416 0.044 1 1087 117 117 PRO HA H 4.354 0.003 1 1088 117 117 PRO HB2 H 2.179 0.009 2 1089 117 117 PRO HB3 H 1.789 0.000 2 1090 117 117 PRO HG2 H 1.910 0.000 2 1091 117 117 PRO HG3 H 1.874 0.000 2 1092 117 117 PRO HD2 H 3.609 0.000 2 1093 117 117 PRO HD3 H 3.498 0.000 2 1094 117 117 PRO C C 176.603 0.007 1 1095 117 117 PRO CA C 63.353 0.023 1 1096 117 117 PRO CB C 31.921 0.017 1 1097 117 117 PRO CG C 27.326 0.000 1 1098 117 117 PRO CD C 50.502 0.000 1 1099 118 118 TYR H H 8.264 0.009 1 1100 118 118 TYR HA H 4.533 0.007 1 1101 118 118 TYR HB2 H 3.013 0.000 2 1102 118 118 TYR HB3 H 2.971 0.003 2 1103 118 118 TYR C C 175.535 0.019 1 1104 118 118 TYR CA C 57.776 0.025 1 1105 118 118 TYR CB C 38.632 0.046 1 1106 118 118 TYR N N 119.939 0.073 1 1107 119 119 ASN H H 8.256 0.005 1 1108 119 119 ASN HA H 4.653 0.002 1 1109 119 119 ASN HB2 H 2.700 0.001 2 1110 119 119 ASN HB3 H 2.644 0.002 2 1111 119 119 ASN C C 175.078 0.022 1 1112 119 119 ASN CA C 53.062 0.052 1 1113 119 119 ASN CB C 38.940 0.026 1 1114 119 119 ASN N N 120.245 0.069 1 1115 120 120 THR H H 7.948 0.005 1 1116 120 120 THR HA H 4.148 0.003 1 1117 120 120 THR HB H 4.093 0.001 1 1118 120 120 THR HG2 H 1.054 0.004 1 1119 120 120 THR C C 174.304 0.013 1 1120 120 120 THR CA C 62.167 0.032 1 1121 120 120 THR CB C 69.560 0.047 1 1122 120 120 THR CG2 C 21.547 0.021 1 1123 120 120 THR N N 114.088 0.039 1 1124 121 121 PHE H H 8.123 0.004 1 1125 121 121 PHE HA H 4.543 0.007 1 1126 121 121 PHE HB2 H 3.107 0.002 2 1127 121 121 PHE HB3 H 2.978 0.001 2 1128 121 121 PHE C C 175.582 0.004 1 1129 121 121 PHE CA C 57.825 0.022 1 1130 121 121 PHE CB C 39.374 0.010 1 1131 121 121 PHE N N 121.813 0.029 1 1132 122 122 ALA H H 8.078 0.005 1 1133 122 122 ALA HA H 4.207 0.008 1 1134 122 122 ALA HB H 1.305 0.004 1 1135 122 122 ALA C C 177.159 0.009 1 1136 122 122 ALA CA C 52.455 0.018 1 1137 122 122 ALA CB C 19.279 0.070 1 1138 122 122 ALA N N 125.179 0.047 1 1139 123 123 ALA H H 8.128 0.004 1 1140 123 123 ALA HA H 4.224 0.005 1 1141 123 123 ALA HB H 1.348 0.006 1 1142 123 123 ALA C C 178.205 0.019 1 1143 123 123 ALA CA C 52.786 0.017 1 1144 123 123 ALA CB C 19.057 0.053 1 1145 123 123 ALA N N 122.947 0.039 1 1146 124 124 GLY H H 8.223 0.005 1 1147 124 124 GLY HA2 H 3.882 0.010 2 1148 124 124 GLY HA3 H 3.833 0.000 2 1149 124 124 GLY C C 174.035 0.005 1 1150 124 124 GLY CA C 45.196 0.019 1 1151 124 124 GLY N N 107.581 0.032 1 1152 125 125 PHE H H 8.041 0.005 1 1153 125 125 PHE HA H 4.541 0.005 1 1154 125 125 PHE HB2 H 3.058 0.007 2 1155 125 125 PHE HB3 H 3.008 0.002 2 1156 125 125 PHE C C 175.527 0.035 1 1157 125 125 PHE CA C 57.971 0.087 1 1158 125 125 PHE CB C 39.623 0.070 1 1159 125 125 PHE N N 120.030 0.017 1 1160 126 126 ASN H H 8.361 0.004 1 1161 126 126 ASN HA H 4.654 0.005 1 1162 126 126 ASN HB2 H 2.770 0.003 2 1163 126 126 ASN HB3 H 2.663 0.004 2 1164 126 126 ASN C C 175.116 0.010 1 1165 126 126 ASN CA C 52.989 0.029 1 1166 126 126 ASN CB C 38.898 0.023 1 1167 126 126 ASN N N 120.607 0.036 1 1168 127 127 SER H H 8.243 0.005 1 1169 127 127 SER HA H 4.409 0.005 1 1170 127 127 SER HB2 H 3.913 0.005 2 1171 127 127 SER HB3 H 3.818 0.005 2 1172 127 127 SER C C 174.999 0.018 1 1173 127 127 SER CA C 58.687 0.059 1 1174 127 127 SER CB C 63.700 0.070 1 1175 127 127 SER N N 116.362 0.027 1 1176 128 128 THR H H 8.138 0.006 1 1177 128 128 THR HA H 4.322 0.004 1 1178 128 128 THR HB H 4.262 0.001 1 1179 128 128 THR HG2 H 1.197 0.002 1 1180 128 128 THR C C 175.113 0.014 1 1181 128 128 THR CA C 62.269 0.047 1 1182 128 128 THR CB C 69.690 0.049 1 1183 128 128 THR CG2 C 21.604 0.000 1 1184 128 128 THR N N 114.769 0.023 1 1185 129 129 GLY H H 8.283 0.004 1 1186 129 129 GLY HA2 H 3.912 0.005 2 1187 129 129 GLY HA3 H 3.915 0.002 2 1188 129 129 GLY C C 173.662 0.003 1 1189 129 129 GLY CA C 45.120 0.042 1 1190 129 129 GLY N N 110.643 0.017 1 1191 130 130 LEU H H 8.006 0.004 1 1192 130 130 LEU HA H 4.568 0.006 1 1193 130 130 LEU HB2 H 1.500 0.030 2 1194 130 130 LEU HB3 H 1.530 0.000 2 1195 130 130 LEU HG H 1.530 0.000 1 1196 130 130 LEU HD1 H 0.888 0.000 1 1197 130 130 LEU HD2 H 0.885 0.000 1 1198 130 130 LEU C C 175.368 0.000 1 1199 130 130 LEU CA C 53.038 0.000 1 1200 130 130 LEU CB C 41.671 0.009 1 1201 130 130 LEU CD2 C 23.303 0.000 1 1202 130 130 LEU N N 122.627 0.021 1 1203 131 131 PRO HA H 4.358 0.004 1 1204 131 131 PRO HB2 H 2.207 0.000 2 1205 131 131 PRO HB3 H 1.793 0.002 2 1206 131 131 PRO HG2 H 1.969 0.000 2 1207 131 131 PRO HG3 H 1.966 0.000 2 1208 131 131 PRO HD2 H 3.800 0.000 2 1209 131 131 PRO HD3 H 3.575 0.000 2 1210 131 131 PRO C C 176.793 0.007 1 1211 131 131 PRO CA C 63.086 0.085 1 1212 131 131 PRO CB C 31.978 0.052 1 1213 131 131 PRO CG C 27.420 0.000 1 1214 131 131 PRO CD C 50.447 0.000 1 1215 132 132 HIS H H 8.472 0.007 1 1216 132 132 HIS HA H 4.642 0.031 1 1217 132 132 HIS HB2 H 3.150 0.002 2 1218 132 132 HIS HB3 H 3.141 0.007 2 1219 132 132 HIS C C 174.965 0.023 1 1220 132 132 HIS CA C 55.623 0.003 1 1221 132 132 HIS CB C 29.620 0.051 1 1222 132 132 HIS N N 118.770 0.022 1 1223 133 133 SER H H 8.288 0.012 1 1224 133 133 SER HA H 4.385 0.000 1 1225 133 133 SER C C 174.368 0.000 1 1226 133 133 SER CA C 58.365 0.011 1 1227 133 133 SER CB C 63.812 0.000 1 1228 133 133 SER N N 116.681 0.034 1 1229 135 135 SER HA H 4.506 0.002 1 1230 135 135 SER HB2 H 3.855 0.000 2 1231 135 135 SER HB3 H 3.827 0.000 2 1232 135 135 SER C C 174.734 0.013 1 1233 135 135 SER CA C 58.323 0.034 1 1234 135 135 SER CB C 63.812 0.043 1 1235 136 136 THR H H 8.322 0.006 1 1236 136 136 THR HA H 4.415 0.005 1 1237 136 136 THR HB H 4.276 0.008 1 1238 136 136 THR HG2 H 1.196 0.004 1 1239 136 136 THR C C 174.623 0.016 1 1240 136 136 THR CA C 61.891 0.062 1 1241 136 136 THR CB C 69.658 0.051 1 1242 136 136 THR CG2 C 21.644 0.000 1 1243 136 136 THR N N 115.990 0.017 1 1244 137 137 THR H H 8.157 0.004 1 1245 137 137 THR HA H 4.313 0.006 1 1246 137 137 THR HB H 4.160 0.004 1 1247 137 137 THR HG2 H 1.174 0.002 1 1248 137 137 THR C C 174.109 0.006 1 1249 137 137 THR CA C 62.010 0.034 1 1250 137 137 THR CB C 69.788 0.040 1 1251 137 137 THR CG2 C 21.720 0.038 1 1252 137 137 THR N N 117.041 0.023 1 1253 138 138 ARG H H 8.372 0.005 1 1254 138 138 ARG HA H 4.381 0.004 1 1255 138 138 ARG HB2 H 1.848 0.004 2 1256 138 138 ARG HB3 H 1.738 0.003 2 1257 138 138 ARG HG2 H 1.605 0.002 2 1258 138 138 ARG HG3 H 1.602 0.001 2 1259 138 138 ARG HD2 H 3.171 0.004 2 1260 138 138 ARG HD3 H 3.165 0.002 2 1261 138 138 ARG C C 175.174 0.016 1 1262 138 138 ARG CA C 56.182 0.042 1 1263 138 138 ARG CB C 30.860 0.049 1 1264 138 138 ARG CG C 27.000 0.000 1 1265 138 138 ARG CD C 43.296 0.000 1 1266 138 138 ARG N N 124.885 0.018 1 1267 139 139 VAL H H 7.788 0.005 1 1268 139 139 VAL HA H 4.014 0.004 1 1269 139 139 VAL HB H 2.050 0.002 1 1270 139 139 VAL HG1 H 0.871 0.001 1 1271 139 139 VAL HG2 H 0.860 0.012 1 1272 139 139 VAL C C 180.974 0.000 1 1273 139 139 VAL CA C 63.686 0.012 1 1274 139 139 VAL CB C 33.165 0.047 1 1275 139 139 VAL CG1 C 21.588 0.000 1 1276 139 139 VAL CG2 C 20.094 0.000 1 1277 139 139 VAL N N 125.923 0.027 1 stop_ save_