data_16779 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LMO2(LIM2)-Ldb1(LID) ; _BMRB_accession_number 16779 _BMRB_flat_file_name bmr16779.str _Entry_type new _Submission_date 2010-03-18 _Accession_date 2010-03-18 _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 Wilkinson-White Lorna . . 2 Dastmalchi Siavoush . . 3 Kwan Ann . . 4 Ryan Daniel . . 5 Mackay Joel P. . 6 Matthews Jacqui . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 598 "13C chemical shifts" 435 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-06 original author . stop_ _Original_release_date 2010-10-06 save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C assignments of an intramolecular Lmo2-LIM2/Ldb1-LID complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wilkinson-White Lorna E. . 2 Dastmalchi Siavoush . . 3 Kwan Ann H. . 4 Ryan Daniel P. . 5 Mackay Joel P. . 6 Matthews Jacqui M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Lmo2-LIM2/Ldb1-LID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Lmo2-LIM2/Ldb1-LID $Flic 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_Flic _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Flic _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function ; Lmo2 is a member of the LIM-only protein family, the sequences of which consist of little more than two tandemly arrayed LIM domains. LIM domains are a class of zinc finger that ligate two zinc ions and which bind proteins rather than DNA (Bach 2000). Lmo2 plays a critical role in blood cell development (hematopoiesis). ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; YLRLFGQDGLCASCDKRIRA YEMTMRVKDKVYHLECFKCA ACQKHFSVGDRYLLINSDIV CEQDIYEWTKINGGSGGSGG SGGDVMVVGEPTLMGGEFGD EDERLITRLENTQFDAANGI DDE ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 LEU 3 ARG 4 LEU 5 PHE 6 GLY 7 GLN 8 ASP 9 GLY 10 LEU 11 CYS 12 ALA 13 SER 14 CYS 15 ASP 16 LYS 17 ARG 18 ILE 19 ARG 20 ALA 21 TYR 22 GLU 23 MET 24 THR 25 MET 26 ARG 27 VAL 28 LYS 29 ASP 30 LYS 31 VAL 32 TYR 33 HIS 34 LEU 35 GLU 36 CYS 37 PHE 38 LYS 39 CYS 40 ALA 41 ALA 42 CYS 43 GLN 44 LYS 45 HIS 46 PHE 47 SER 48 VAL 49 GLY 50 ASP 51 ARG 52 TYR 53 LEU 54 LEU 55 ILE 56 ASN 57 SER 58 ASP 59 ILE 60 VAL 61 CYS 62 GLU 63 GLN 64 ASP 65 ILE 66 TYR 67 GLU 68 TRP 69 THR 70 LYS 71 ILE 72 ASN 73 GLY 74 GLY 75 SER 76 GLY 77 GLY 78 SER 79 GLY 80 GLY 81 SER 82 GLY 83 GLY 84 ASP 85 VAL 86 MET 87 VAL 88 VAL 89 GLY 90 GLU 91 PRO 92 THR 93 LEU 94 MET 95 GLY 96 GLY 97 GLU 98 PHE 99 GLY 100 ASP 101 GLU 102 ASP 103 GLU 104 ARG 105 LEU 106 ILE 107 THR 108 ARG 109 LEU 110 GLU 111 ASN 112 THR 113 GLN 114 PHE 115 ASP 116 ALA 117 ALA 118 ASN 119 GLY 120 ILE 121 ASP 122 ASP 123 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L6Y "Haddock Model Of Gata1nf:lmo2lim2-Ldb1lid" 78.05 96 100.00 100.00 3.05e-63 PDB 2L6Z "Haddock Model Of Gata1nf:lmo2lim2-Ldb1lid With Fog" 78.05 96 100.00 100.00 3.05e-63 PDB 2LXD "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Lmo2(Lim2)- Ldb1(Lid)" 100.00 125 100.00 100.00 5.13e-84 PDB 2XJY "Crystal Structure Of The Lmo2:ldb1-Lid Complex, P21 Crystal Form" 59.35 131 98.63 98.63 4.51e-44 PDB 2XJZ "Crystal Structure Of The Lmo2:ldb1-Lid Complex, C2 Crystal Form" 59.35 131 98.63 98.63 4.51e-44 PDB 2YPA "Structure Of The Scl:e47:lmo2:ldb1 Complex Bound To Dna" 59.35 145 98.63 98.63 4.91e-44 PDB 4KFZ "Crystal Structure Of Lmo2 And Anti-lmo2 Vh Complex" 59.35 150 98.63 98.63 4.29e-44 DBJ BAB28844 "unnamed protein product [Mus musculus]" 59.35 158 98.63 98.63 3.51e-44 DBJ BAE91465 "unnamed protein product [Macaca fascicularis]" 59.35 158 98.63 98.63 3.19e-44 DBJ BAG73348 "LIM domain only 2 [synthetic construct]" 59.35 158 98.63 98.63 3.19e-44 EMBL CAA43430 "TTG-2a/RBTN-2a [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 GB AAA40054 "rhom-2 [Mus musculus domesticus]" 59.35 158 98.63 98.63 3.51e-44 GB AAF98804 "LMO2b splice variant [Homo sapiens]" 59.35 151 98.63 98.63 4.51e-44 GB AAH34041 "LMO2 protein [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 GB AAH35607 "LMO2 protein [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 GB AAH42426 "LMO2 protein [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 REF NP_001032435 "rhombotin-2 isoform 1 [Rattus norvegicus]" 59.35 220 98.63 98.63 5.15e-45 REF NP_001069820 "rhombotin-2 [Bos taurus]" 59.35 158 98.63 98.63 3.36e-44 REF NP_001135787 "rhombotin-2 isoform 2 [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 REF NP_001135788 "rhombotin-2 isoform 2 [Homo sapiens]" 59.35 158 98.63 98.63 3.19e-44 REF NP_001135807 "rhombotin-2 isoform 2 [Mus musculus]" 59.35 220 98.63 98.63 5.15e-45 SP P25791 "RecName: Full=Rhombotin-2; AltName: Full=Cysteine-rich protein TTG-2; AltName: Full=LIM domain only protein 2; Short=LMO-2; Alt" 59.35 158 98.63 98.63 3.19e-44 SP P25801 "RecName: Full=Rhombotin-2; AltName: Full=Cysteine-rich protein TTG-2; AltName: Full=LIM domain only protein 2; Short=LMO-2; Alt" 59.35 158 98.63 98.63 3.51e-44 SP Q1LZ94 "RecName: Full=Rhombotin-2; AltName: Full=LIM domain only protein 2; Short=LMO-2" 59.35 158 98.63 98.63 3.36e-44 TPG DAA21843 "TPA: rhombotin-2 [Bos taurus]" 59.35 158 98.63 98.63 3.36e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Flic Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Flic 'recombinant technology' . Escherichia coli . pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N/13C Lmo2-LIM2/Ldb1-LID (Flic) 865 uM pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Flic 865 uM '[U-100% 13C; U-100% 15N]' DSS 17 uM 'natural abundance' D2O 5 % 'natural abundance' MES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 95 % 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Unlabeled Lmo2-LIM2/Ldb1-LID (Flic) 630 uM pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Flic 630 uM 'natural abundance' DSS 17 uM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % 'natural abundance' MES 20 mM 'natural abundance' H2O 95 % 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N/13C Lmo2-LIM2/Ldb1-LID (Flic) 865 uM pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Flic 865 uM '[U-100% 13C; U-100% 15N]' DSS 17 uM 'natural abundance' D2O 100 % 'natural abundance' MES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.b9 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2009.215.15.29 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '15N/13C double-labeled Flic (865 uM)in 20 mM MES, 150 mM NaCl and 1 mM DTT at pH 6.5.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure ambient . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 Lmo2-LIM2/Ldb1-LID _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 LEU HA H 4.618 0.001 . 2 2 2 LEU HB2 H 1.515 0.005 . 3 2 2 LEU HB3 H 1.515 0.005 . 4 2 2 LEU C C 176.586 0.000 . 5 2 2 LEU CB C 42.632 0.016 . 6 3 3 ARG H H 8.174 0.002 . 7 3 3 ARG HA H 4.252 0.002 . 8 3 3 ARG HB2 H 1.703 0.002 . 9 3 3 ARG HD2 H 3.137 0.000 . 10 3 3 ARG HD3 H 3.137 0.000 . 11 3 3 ARG HG2 H 1.534 0.000 . 12 3 3 ARG HG3 H 1.534 0.000 . 13 3 3 ARG C C 175.748 0.080 . 14 3 3 ARG CA C 55.975 0.085 . 15 3 3 ARG CB C 30.682 0.023 . 16 3 3 ARG CD C 43.438 0.000 . 17 3 3 ARG CG C 27.136 0.000 . 18 3 3 ARG N N 122.473 0.077 . 19 4 4 LEU H H 8.132 0.004 . 20 4 4 LEU HA H 4.297 0.014 . 21 4 4 LEU HB2 H 1.345 0.003 . 22 4 4 LEU HB3 H 1.482 0.004 . 23 4 4 LEU C C 176.925 0.000 . 24 4 4 LEU CA C 55.041 0.115 . 25 4 4 LEU CB C 42.556 0.065 . 26 4 4 LEU CD1 C 25.231 0.000 . 27 4 4 LEU CD2 C 23.398 0.000 . 28 4 4 LEU CG C 26.813 0.000 . 29 4 4 LEU N N 123.380 0.055 . 30 5 5 PHE H H 8.224 0.002 . 31 5 5 PHE HA H 4.595 0.006 . 32 5 5 PHE HB2 H 3.005 0.004 . 33 5 5 PHE HB3 H 3.127 0.003 . 34 5 5 PHE C C 176.352 0.054 . 35 5 5 PHE CA C 57.914 0.097 . 36 5 5 PHE CB C 39.745 0.016 . 37 5 5 PHE N N 120.229 0.011 . 38 6 6 GLY H H 8.493 0.003 . 39 6 6 GLY HA2 H 3.909 0.005 . 40 6 6 GLY HA3 H 3.734 0.001 . 41 6 6 GLY C C 174.209 0.043 . 42 6 6 GLY CA C 45.569 0.026 . 43 6 6 GLY N N 110.702 0.026 . 44 7 7 GLN H H 8.074 0.002 . 45 7 7 GLN HA H 4.338 0.009 . 46 7 7 GLN HB2 H 2.129 0.003 . 47 7 7 GLN HB3 H 1.955 0.005 . 48 7 7 GLN HE21 H 7.539 0.005 . 49 7 7 GLN HE22 H 6.862 0.006 . 50 7 7 GLN HG2 H 2.308 0.007 . 51 7 7 GLN C C 175.329 0.020 . 52 7 7 GLN CA C 55.761 0.044 . 53 7 7 GLN CB C 29.798 0.041 . 54 7 7 GLN CG C 33.980 0.022 . 55 7 7 GLN N N 119.717 0.050 . 56 7 7 GLN NE2 N 112.859 0.022 . 57 8 8 ASP H H 8.179 0.003 . 58 8 8 ASP HA H 4.534 0.006 . 59 8 8 ASP HB2 H 2.616 0.009 . 60 8 8 ASP HB3 H 2.631 0.001 . 61 8 8 ASP C C 176.498 0.047 . 62 8 8 ASP CA C 54.427 0.045 . 63 8 8 ASP CB C 41.616 0.079 . 64 8 8 ASP N N 120.134 0.036 . 65 9 9 GLY H H 8.436 0.006 . 66 9 9 GLY HA2 H 3.870 0.017 . 67 9 9 GLY HA3 H 3.697 0.009 . 68 9 9 GLY C C 172.677 0.016 . 69 9 9 GLY CA C 45.498 0.046 . 70 9 9 GLY N N 108.170 0.037 . 71 10 10 LEU H H 7.719 0.010 . 72 10 10 LEU HA H 4.364 0.009 . 73 10 10 LEU HB2 H 1.119 0.016 . 74 10 10 LEU HB3 H 1.459 0.009 . 75 10 10 LEU HD1 H 0.734 0.005 . 76 10 10 LEU HD2 H 0.633 0.010 . 77 10 10 LEU HG H 1.318 0.009 . 78 10 10 LEU C C 175.051 0.015 . 79 10 10 LEU CA C 53.369 0.089 . 80 10 10 LEU CB C 43.485 0.068 . 81 10 10 LEU CD1 C 24.576 0.010 . 82 10 10 LEU CD2 C 23.180 0.056 . 83 10 10 LEU CG C 26.832 0.002 . 84 10 10 LEU N N 121.106 0.097 . 85 11 11 CYS H H 8.116 0.005 . 86 11 11 CYS HA H 4.387 0.023 . 87 11 11 CYS HB2 H 2.255 0.008 . 88 11 11 CYS HB3 H 3.483 0.007 . 89 11 11 CYS C C 177.880 0.004 . 90 11 11 CYS CA C 58.642 0.045 . 91 11 11 CYS CB C 31.211 0.062 . 92 11 11 CYS N N 124.226 0.074 . 93 12 12 ALA H H 8.761 0.007 . 94 12 12 ALA HA H 4.083 0.005 . 95 12 12 ALA HB H 0.970 0.007 . 96 12 12 ALA C C 177.283 0.051 . 97 12 12 ALA CA C 53.831 0.021 . 98 12 12 ALA CB C 17.976 0.072 . 99 12 12 ALA N N 132.290 0.034 . 100 13 13 SER H H 8.906 0.007 . 101 13 13 SER HA H 4.962 0.007 . 102 13 13 SER HB2 H 4.242 0.006 . 103 13 13 SER HB3 H 4.242 0.006 . 104 13 13 SER C C 175.661 0.024 . 105 13 13 SER CA C 59.412 0.042 . 106 13 13 SER CB C 64.355 0.078 . 107 13 13 SER N N 113.627 0.041 . 108 14 14 CYS H H 8.143 0.006 . 109 14 14 CYS HA H 4.937 0.007 . 110 14 14 CYS HB2 H 3.093 0.006 . 111 14 14 CYS HB3 H 3.360 0.005 . 112 14 14 CYS C C 175.685 0.000 . 113 14 14 CYS CA C 59.112 0.042 . 114 14 14 CYS CB C 31.336 0.019 . 115 14 14 CYS N N 117.012 0.023 . 116 15 15 ASP H H 8.082 0.006 . 117 15 15 ASP HA H 4.431 0.003 . 118 15 15 ASP HB2 H 2.646 0.011 . 119 15 15 ASP HB3 H 3.085 0.005 . 120 15 15 ASP C C 174.066 0.002 . 121 15 15 ASP CA C 56.402 0.053 . 122 15 15 ASP CB C 40.730 0.097 . 123 15 15 ASP N N 119.933 0.142 . 124 16 16 LYS H H 7.906 0.007 . 125 16 16 LYS HA H 4.700 0.005 . 126 16 16 LYS HB2 H 1.997 0.011 . 127 16 16 LYS HB3 H 2.085 0.005 . 128 16 16 LYS HD3 H 1.735 0.009 . 129 16 16 LYS HE2 H 3.045 0.008 . 130 16 16 LYS HG2 H 1.512 0.009 . 131 16 16 LYS HG3 H 1.647 0.005 . 132 16 16 LYS C C 176.620 0.012 . 133 16 16 LYS CA C 54.954 0.049 . 134 16 16 LYS CB C 34.918 0.034 . 135 16 16 LYS CD C 29.095 0.000 . 136 16 16 LYS CG C 25.362 0.062 . 137 16 16 LYS N N 116.810 0.028 . 138 17 17 ARG H H 8.502 0.006 . 139 17 17 ARG HA H 4.241 0.005 . 140 17 17 ARG HB2 H 1.664 0.008 . 141 17 17 ARG HD2 H 3.030 0.011 . 142 17 17 ARG HG2 H 1.381 0.010 . 143 17 17 ARG HG3 H 1.544 0.013 . 144 17 17 ARG C C 176.261 0.000 . 145 17 17 ARG CA C 56.916 0.020 . 146 17 17 ARG CB C 30.636 0.038 . 147 17 17 ARG CD C 43.212 0.000 . 148 17 17 ARG CG C 27.179 0.000 . 149 17 17 ARG N N 121.265 0.029 . 150 18 18 ILE H H 8.333 0.005 . 151 18 18 ILE HA H 3.960 0.006 . 152 18 18 ILE HB H 1.430 0.010 . 153 18 18 ILE HD1 H 0.243 0.008 . 154 18 18 ILE HG12 H -0.476 0.007 . 155 18 18 ILE HG13 H 1.236 0.015 . 156 18 18 ILE HG2 H 0.756 0.009 . 157 18 18 ILE C C 175.847 0.014 . 158 18 18 ILE CA C 61.091 0.019 . 159 18 18 ILE CB C 38.613 0.023 . 160 18 18 ILE CD1 C 14.378 0.081 . 161 18 18 ILE CG1 C 26.641 0.046 . 162 18 18 ILE CG2 C 18.507 0.036 . 163 18 18 ILE N N 128.073 0.054 . 164 19 19 ARG H H 9.341 0.006 . 165 19 19 ARG HA H 4.234 0.008 . 166 19 19 ARG CA C 55.584 0.015 . 167 19 19 ARG CB C 30.611 0.000 . 168 19 19 ARG N N 127.508 0.024 . 169 20 20 ALA HA H 3.943 0.000 . 170 20 20 ALA CA C 54.544 0.000 . 171 21 21 TYR HA H 4.488 0.013 . 172 21 21 TYR HB2 H 2.940 0.004 . 173 21 21 TYR HB3 H 3.405 0.007 . 174 21 21 TYR HD1 H 7.048 0.004 . 175 21 21 TYR HD2 H 7.048 0.004 . 176 21 21 TYR HE1 H 6.868 0.002 . 177 21 21 TYR HE2 H 6.868 0.002 . 178 21 21 TYR C C 174.971 0.000 . 179 21 21 TYR CA C 56.218 0.000 . 180 21 21 TYR CB C 36.772 0.019 . 181 22 22 GLU H H 7.533 0.006 . 182 22 22 GLU HA H 4.398 0.005 . 183 22 22 GLU HB2 H 2.101 0.006 . 184 22 22 GLU HB3 H 2.192 0.015 . 185 22 22 GLU HG2 H 1.954 0.011 . 186 22 22 GLU HG3 H 2.178 0.007 . 187 22 22 GLU C C 175.757 0.018 . 188 22 22 GLU CA C 56.832 0.032 . 189 22 22 GLU CB C 31.249 0.036 . 190 22 22 GLU CG C 38.994 0.064 . 191 22 22 GLU N N 121.656 0.067 . 192 23 23 MET H H 8.720 0.004 . 193 23 23 MET HA H 4.814 0.004 . 194 23 23 MET HB2 H 1.790 0.005 . 195 23 23 MET HB3 H 2.250 0.006 . 196 23 23 MET HG2 H 2.668 0.005 . 197 23 23 MET HG3 H 2.781 0.005 . 198 23 23 MET C C 176.989 0.018 . 199 23 23 MET CA C 54.584 0.125 . 200 23 23 MET CB C 32.995 0.098 . 201 23 23 MET CG C 32.564 0.065 . 202 23 23 MET N N 119.435 0.034 . 203 24 24 THR H H 8.925 0.006 . 204 24 24 THR HA H 5.197 0.008 . 205 24 24 THR HB H 3.922 0.004 . 206 24 24 THR HG2 H 1.038 0.002 . 207 24 24 THR C C 173.327 0.017 . 208 24 24 THR CA C 60.187 0.021 . 209 24 24 THR CB C 73.458 0.029 . 210 24 24 THR CG2 C 23.255 0.037 . 211 24 24 THR N N 114.367 0.049 . 212 25 25 MET H H 8.412 0.006 . 213 25 25 MET HA H 4.858 0.005 . 214 25 25 MET HB2 H 1.132 0.001 . 215 25 25 MET HB3 H 0.985 0.006 . 216 25 25 MET HG2 H 1.452 0.009 . 217 25 25 MET C C 174.893 0.152 . 218 25 25 MET CA C 52.645 0.025 . 219 25 25 MET CB C 33.738 0.043 . 220 25 25 MET CG C 30.717 0.038 . 221 25 25 MET N N 117.451 0.035 . 222 26 26 ARG H H 8.142 0.004 . 223 26 26 ARG HA H 4.997 0.007 . 224 26 26 ARG HB2 H 1.769 0.003 . 225 26 26 ARG HB3 H 1.590 0.008 . 226 26 26 ARG HD2 H 3.067 0.004 . 227 26 26 ARG HE H 7.162 0.008 . 228 26 26 ARG HG2 H 1.397 0.009 . 229 26 26 ARG C C 175.771 0.077 . 230 26 26 ARG CA C 55.255 0.038 . 231 26 26 ARG CB C 31.840 0.063 . 232 26 26 ARG CD C 43.317 0.043 . 233 26 26 ARG CG C 28.400 0.024 . 234 26 26 ARG N N 124.329 0.039 . 235 26 26 ARG NE N 113.994 0.016 . 236 27 27 VAL H H 8.470 0.007 . 237 27 27 VAL HA H 4.159 0.006 . 238 27 27 VAL HB H 2.176 0.005 . 239 27 27 VAL HG1 H 1.131 0.005 . 240 27 27 VAL HG2 H 0.924 0.005 . 241 27 27 VAL C C 174.476 0.009 . 242 27 27 VAL CA C 61.274 0.034 . 243 27 27 VAL CB C 34.305 0.067 . 244 27 27 VAL CG1 C 21.849 0.030 . 245 27 27 VAL CG2 C 21.075 0.059 . 246 27 27 VAL N N 124.981 0.050 . 247 28 28 LYS H H 9.178 0.007 . 248 28 28 LYS HA H 3.721 0.007 . 249 28 28 LYS HB2 H 1.914 0.004 . 250 28 28 LYS HB3 H 2.129 0.003 . 251 28 28 LYS HD2 H 1.743 0.007 . 252 28 28 LYS HG2 H 1.467 0.004 . 253 28 28 LYS HG3 H 1.521 0.004 . 254 28 28 LYS C C 175.507 0.018 . 255 28 28 LYS CA C 58.705 0.020 . 256 28 28 LYS CB C 29.592 0.016 . 257 28 28 LYS CD C 29.516 0.000 . 258 28 28 LYS CE C 42.323 0.000 . 259 28 28 LYS CG C 25.657 0.000 . 260 28 28 LYS N N 124.349 0.025 . 261 29 29 ASP H H 8.831 0.005 . 262 29 29 ASP HA H 4.620 0.003 . 263 29 29 ASP HB2 H 2.654 0.005 . 264 29 29 ASP HB3 H 2.915 0.003 . 265 29 29 ASP C C 175.337 0.034 . 266 29 29 ASP CA C 54.064 0.014 . 267 29 29 ASP CB C 39.946 0.030 . 268 29 29 ASP N N 121.681 0.032 . 269 30 30 LYS H H 8.643 0.004 . 270 30 30 LYS HA H 4.473 0.005 . 271 30 30 LYS HB2 H 1.486 0.007 . 272 30 30 LYS HB3 H 2.148 0.008 . 273 30 30 LYS HD2 H 2.812 0.000 . 274 30 30 LYS HE2 H 3.068 0.011 . 275 30 30 LYS HE3 H 2.999 0.001 . 276 30 30 LYS HG2 H 1.560 0.004 . 277 30 30 LYS HG3 H 1.645 0.003 . 278 30 30 LYS C C 175.367 0.019 . 279 30 30 LYS CA C 55.212 0.039 . 280 30 30 LYS CB C 35.517 0.040 . 281 30 30 LYS CD C 28.951 0.000 . 282 30 30 LYS CE C 42.761 0.059 . 283 30 30 LYS CG C 25.285 0.000 . 284 30 30 LYS N N 121.462 0.028 . 285 31 31 VAL H H 8.495 0.003 . 286 31 31 VAL HA H 4.850 0.003 . 287 31 31 VAL HB H 1.769 0.006 . 288 31 31 VAL HG1 H 0.719 0.009 . 289 31 31 VAL C C 172.785 0.002 . 290 31 31 VAL CA C 60.266 0.043 . 291 31 31 VAL CB C 34.468 0.036 . 292 31 31 VAL CG1 C 21.516 0.073 . 293 31 31 VAL N N 119.935 0.022 . 294 32 32 TYR H H 8.486 0.006 . 295 32 32 TYR HA H 5.810 0.006 . 296 32 32 TYR HB2 H 2.582 0.004 . 297 32 32 TYR HB3 H 3.117 0.006 . 298 32 32 TYR HD1 H 6.976 0.003 . 299 32 32 TYR HD2 H 6.976 0.003 . 300 32 32 TYR HE1 H 6.623 0.007 . 301 32 32 TYR HE2 H 6.623 0.007 . 302 32 32 TYR C C 178.698 0.012 . 303 32 32 TYR CA C 56.004 0.028 . 304 32 32 TYR CB C 42.505 0.012 . 305 32 32 TYR CD1 C 133.041 0.057 . 306 32 32 TYR N N 120.804 0.082 . 307 33 33 HIS H H 9.052 0.007 . 308 33 33 HIS HA H 4.514 0.007 . 309 33 33 HIS HB2 H 3.703 0.007 . 310 33 33 HIS HB3 H 3.750 0.001 . 311 33 33 HIS HD2 H 7.551 0.003 . 312 33 33 HIS HE1 H 7.268 0.000 . 313 33 33 HIS C C 178.343 0.029 . 314 33 33 HIS CA C 60.047 0.008 . 315 33 33 HIS CB C 31.035 0.037 . 316 33 33 HIS N N 122.354 0.046 . 317 34 34 LEU H H 8.577 0.008 . 318 34 34 LEU HA H 4.014 0.004 . 319 34 34 LEU HB2 H 1.345 0.006 . 320 34 34 LEU HB3 H 1.843 0.005 . 321 34 34 LEU HD1 H 0.911 0.003 . 322 34 34 LEU HD2 H 0.993 0.004 . 323 34 34 LEU HG H 1.732 0.001 . 324 34 34 LEU C C 180.380 0.011 . 325 34 34 LEU CA C 59.422 0.041 . 326 34 34 LEU CB C 41.457 0.036 . 327 34 34 LEU CD1 C 24.510 0.000 . 328 34 34 LEU CD2 C 24.157 0.032 . 329 34 34 LEU CG C 27.136 0.000 . 330 34 34 LEU N N 125.488 0.030 . 331 35 35 GLU H H 9.373 0.006 . 332 35 35 GLU HA H 4.177 0.007 . 333 35 35 GLU HB2 H 2.089 0.007 . 334 35 35 GLU HB3 H 2.129 0.006 . 335 35 35 GLU HG2 H 2.382 0.004 . 336 35 35 GLU HG3 H 2.420 0.002 . 337 35 35 GLU C C 177.672 0.011 . 338 35 35 GLU CA C 58.704 0.017 . 339 35 35 GLU CB C 29.318 0.034 . 340 35 35 GLU CG C 36.476 0.076 . 341 35 35 GLU N N 115.626 0.029 . 342 36 36 CYS H H 7.401 0.006 . 343 36 36 CYS HA H 4.332 0.006 . 344 36 36 CYS HB2 H 3.293 0.008 . 345 36 36 CYS HB3 H 3.534 0.005 . 346 36 36 CYS C C 174.090 0.007 . 347 36 36 CYS CA C 60.638 0.018 . 348 36 36 CYS CB C 30.944 0.023 . 349 36 36 CYS N N 115.965 0.025 . 350 37 37 PHE H H 7.702 0.007 . 351 37 37 PHE HA H 4.094 0.005 . 352 37 37 PHE HB2 H 2.494 0.008 . 353 37 37 PHE HB3 H 3.496 0.007 . 354 37 37 PHE HD1 H 6.610 0.004 . 355 37 37 PHE HD2 H 6.610 0.004 . 356 37 37 PHE HE1 H 6.264 0.004 . 357 37 37 PHE HE2 H 6.264 0.004 . 358 37 37 PHE HZ H 5.643 0.002 . 359 37 37 PHE C C 171.230 0.022 . 360 37 37 PHE CA C 58.215 0.009 . 361 37 37 PHE CB C 37.492 0.038 . 362 37 37 PHE N N 124.554 0.045 . 363 38 38 LYS H H 6.943 0.006 . 364 38 38 LYS HA H 4.613 0.006 . 365 38 38 LYS HB2 H 0.916 0.007 . 366 38 38 LYS HB3 H 0.800 0.008 . 367 38 38 LYS HD2 H 1.375 0.003 . 368 38 38 LYS HD3 H 1.301 0.003 . 369 38 38 LYS HE2 H 2.889 0.005 . 370 38 38 LYS HG2 H 0.811 0.002 . 371 38 38 LYS HG3 H 0.710 0.003 . 372 38 38 LYS C C 173.473 0.019 . 373 38 38 LYS CA C 53.357 0.020 . 374 38 38 LYS CB C 35.210 0.047 . 375 38 38 LYS CD C 29.656 0.022 . 376 38 38 LYS CE C 42.428 0.050 . 377 38 38 LYS CG C 22.945 0.000 . 378 38 38 LYS N N 122.747 0.037 . 379 39 39 CYS H H 7.690 0.004 . 380 39 39 CYS HA H 4.144 0.004 . 381 39 39 CYS HB2 H 2.392 0.004 . 382 39 39 CYS HB3 H 3.068 0.006 . 383 39 39 CYS C C 176.932 0.002 . 384 39 39 CYS CA C 58.820 0.014 . 385 39 39 CYS CB C 30.914 0.018 . 386 39 39 CYS N N 122.269 0.034 . 387 40 40 ALA H H 9.567 0.007 . 388 40 40 ALA HA H 4.010 0.004 . 389 40 40 ALA HB H 1.115 0.005 . 390 40 40 ALA C C 177.238 0.056 . 391 40 40 ALA CA C 54.554 0.062 . 392 40 40 ALA CB C 19.347 0.033 . 393 40 40 ALA N N 133.304 0.057 . 394 41 41 ALA H H 8.910 0.006 . 395 41 41 ALA HA H 4.544 0.002 . 396 41 41 ALA HB H 1.504 0.009 . 397 41 41 ALA C C 178.171 0.010 . 398 41 41 ALA CA C 53.797 0.007 . 399 41 41 ALA CB C 20.208 0.030 . 400 41 41 ALA N N 121.826 0.023 . 401 42 42 CYS H H 8.076 0.007 . 402 42 42 CYS HA H 4.844 0.006 . 403 42 42 CYS HB2 H 3.115 0.005 . 404 42 42 CYS HB3 H 3.283 0.003 . 405 42 42 CYS C C 176.512 0.006 . 406 42 42 CYS CA C 59.081 0.027 . 407 42 42 CYS CB C 30.879 0.021 . 408 42 42 CYS N N 117.205 0.032 . 409 43 43 GLN H H 7.774 0.006 . 410 43 43 GLN HA H 3.978 0.005 . 411 43 43 GLN HB2 H 2.249 0.007 . 412 43 43 GLN HB3 H 2.372 0.008 . 413 43 43 GLN HE21 H 7.082 0.009 . 414 43 43 GLN HE22 H 6.671 0.008 . 415 43 43 GLN HG2 H 2.100 0.004 . 416 43 43 GLN HG3 H 2.231 0.000 . 417 43 43 GLN C C 174.340 0.018 . 418 43 43 GLN CA C 57.473 0.017 . 419 43 43 GLN CB C 25.698 0.053 . 420 43 43 GLN CG C 33.879 0.049 . 421 43 43 GLN N N 115.811 0.042 . 422 43 43 GLN NE2 N 113.741 0.022 . 423 44 44 LYS H H 8.131 0.004 . 424 44 44 LYS HA H 4.171 0.005 . 425 44 44 LYS HB2 H 1.684 0.002 . 426 44 44 LYS HB3 H 1.821 0.005 . 427 44 44 LYS HD2 H 1.493 0.004 . 428 44 44 LYS HD3 H 1.442 0.004 . 429 44 44 LYS HE2 H 2.731 0.001 . 430 44 44 LYS HG2 H 0.938 0.005 . 431 44 44 LYS HG3 H 0.504 0.009 . 432 44 44 LYS C C 175.843 0.013 . 433 44 44 LYS CA C 57.260 0.043 . 434 44 44 LYS CB C 32.206 0.032 . 435 44 44 LYS CD C 29.355 0.033 . 436 44 44 LYS CG C 24.237 0.017 . 437 44 44 LYS N N 120.466 0.036 . 438 45 45 HIS H H 8.341 0.008 . 439 45 45 HIS HA H 4.457 0.009 . 440 45 45 HIS HB2 H 2.991 0.007 . 441 45 45 HIS HB3 H 3.421 0.006 . 442 45 45 HIS HD2 H 7.320 0.010 . 443 45 45 HIS HE1 H 7.069 0.002 . 444 45 45 HIS C C 174.587 0.016 . 445 45 45 HIS CA C 56.151 0.067 . 446 45 45 HIS CB C 29.335 0.125 . 447 45 45 HIS N N 118.929 0.070 . 448 45 45 HIS ND1 N 171.102 0.010 . 449 45 45 HIS NE2 N 223.047 0.003 . 450 46 46 PHE H H 8.593 0.008 . 451 46 46 PHE HA H 4.628 0.006 . 452 46 46 PHE HB2 H 2.768 0.008 . 453 46 46 PHE HB3 H 3.200 0.005 . 454 46 46 PHE HD1 H 6.938 0.004 . 455 46 46 PHE HD2 H 6.938 0.004 . 456 46 46 PHE HE1 H 6.603 0.003 . 457 46 46 PHE HE2 H 6.603 0.003 . 458 46 46 PHE HZ H 6.425 0.005 . 459 46 46 PHE C C 176.022 0.041 . 460 46 46 PHE CA C 58.741 0.014 . 461 46 46 PHE CB C 42.864 0.047 . 462 46 46 PHE N N 120.290 0.039 . 463 47 47 SER H H 9.153 0.006 . 464 47 47 SER HA H 4.812 0.004 . 465 47 47 SER HB2 H 3.718 0.009 . 466 47 47 SER HB3 H 3.913 0.006 . 467 47 47 SER C C 173.352 0.011 . 468 47 47 SER CA C 56.936 0.016 . 469 47 47 SER CB C 65.103 0.023 . 470 47 47 SER N N 118.661 0.044 . 471 48 48 VAL H H 8.389 0.006 . 472 48 48 VAL HA H 3.410 0.004 . 473 48 48 VAL HB H 1.918 0.005 . 474 48 48 VAL HG1 H 1.014 0.005 . 475 48 48 VAL HG2 H 0.951 0.004 . 476 48 48 VAL C C 177.623 0.002 . 477 48 48 VAL CA C 65.153 0.024 . 478 48 48 VAL CB C 31.432 0.047 . 479 48 48 VAL CG1 C 21.983 0.051 . 480 48 48 VAL CG2 C 20.707 0.062 . 481 48 48 VAL N N 123.300 0.040 . 482 49 49 GLY H H 9.014 0.006 . 483 49 49 GLY HA2 H 4.545 0.006 . 484 49 49 GLY HA3 H 3.502 0.007 . 485 49 49 GLY C C 174.594 0.000 . 486 49 49 GLY CA C 44.891 0.030 . 487 49 49 GLY N N 116.414 0.035 . 488 50 50 ASP H H 8.179 0.004 . 489 50 50 ASP HA H 4.730 0.003 . 490 50 50 ASP HB2 H 3.088 0.001 . 491 50 50 ASP HB3 H 3.169 0.006 . 492 50 50 ASP C C 175.276 0.005 . 493 50 50 ASP CA C 55.252 0.009 . 494 50 50 ASP CB C 42.496 0.048 . 495 50 50 ASP N N 121.856 0.025 . 496 51 51 ARG H H 8.552 0.004 . 497 51 51 ARG HA H 5.572 0.005 . 498 51 51 ARG HB2 H 1.628 0.007 . 499 51 51 ARG HB3 H 1.717 0.004 . 500 51 51 ARG HD2 H 3.192 0.005 . 501 51 51 ARG HD3 H 3.243 0.008 . 502 51 51 ARG HE H 7.813 0.003 . 503 51 51 ARG HG2 H 1.718 0.003 . 504 51 51 ARG HG3 H 1.552 0.002 . 505 51 51 ARG C C 176.472 0.011 . 506 51 51 ARG CA C 55.204 0.048 . 507 51 51 ARG CB C 32.816 0.039 . 508 51 51 ARG CD C 43.412 0.060 . 509 51 51 ARG CG C 28.329 0.027 . 510 51 51 ARG N N 118.860 0.027 . 511 51 51 ARG NE N 113.521 0.023 . 512 52 52 TYR H H 8.833 0.003 . 513 52 52 TYR HA H 4.925 0.009 . 514 52 52 TYR HB2 H 2.218 0.006 . 515 52 52 TYR HB3 H 2.285 0.010 . 516 52 52 TYR HD1 H 6.385 0.006 . 517 52 52 TYR HD2 H 6.385 0.006 . 518 52 52 TYR HE1 H 6.174 0.004 . 519 52 52 TYR HE2 H 6.174 0.004 . 520 52 52 TYR C C 170.431 0.005 . 521 52 52 TYR CA C 56.141 0.027 . 522 52 52 TYR CB C 41.354 0.081 . 523 52 52 TYR N N 120.090 0.037 . 524 53 53 LEU H H 9.173 0.006 . 525 53 53 LEU HA H 4.536 0.004 . 526 53 53 LEU HB2 H 1.257 0.006 . 527 53 53 LEU HB3 H 1.542 0.007 . 528 53 53 LEU HD1 H 0.777 0.007 . 529 53 53 LEU HD2 H 0.764 0.000 . 530 53 53 LEU HG H 1.488 0.009 . 531 53 53 LEU C C 174.506 0.005 . 532 53 53 LEU CA C 53.659 0.025 . 533 53 53 LEU CB C 46.097 0.023 . 534 53 53 LEU CD1 C 26.076 0.039 . 535 53 53 LEU CD2 C 24.293 0.059 . 536 53 53 LEU CG C 28.046 0.000 . 537 53 53 LEU N N 120.244 0.026 . 538 54 54 LEU H H 8.047 0.004 . 539 54 54 LEU HA H 5.147 0.006 . 540 54 54 LEU HB2 H 1.258 0.005 . 541 54 54 LEU HB3 H 1.784 0.004 . 542 54 54 LEU HD1 H 0.924 0.004 . 543 54 54 LEU HD2 H 0.846 0.008 . 544 54 54 LEU HG H 1.452 0.008 . 545 54 54 LEU C C 176.120 0.007 . 546 54 54 LEU CA C 53.667 0.017 . 547 54 54 LEU CB C 43.866 0.047 . 548 54 54 LEU CD1 C 26.374 0.043 . 549 54 54 LEU CD2 C 24.339 0.029 . 550 54 54 LEU CG C 27.809 0.098 . 551 54 54 LEU N N 124.588 0.031 . 552 55 55 ILE H H 9.090 0.006 . 553 55 55 ILE HA H 4.341 0.005 . 554 55 55 ILE HB H 1.733 0.005 . 555 55 55 ILE HD1 H 0.818 0.007 . 556 55 55 ILE HG12 H 1.343 0.005 . 557 55 55 ILE HG13 H 1.074 0.006 . 558 55 55 ILE HG2 H 0.977 0.002 . 559 55 55 ILE C C 175.921 0.023 . 560 55 55 ILE CA C 59.794 0.017 . 561 55 55 ILE CB C 38.822 0.033 . 562 55 55 ILE CD1 C 13.827 0.065 . 563 55 55 ILE CG1 C 27.367 0.043 . 564 55 55 ILE CG2 C 17.471 0.067 . 565 55 55 ILE N N 128.180 0.044 . 566 56 56 ASN H H 9.308 0.005 . 567 56 56 ASN HA H 4.239 0.009 . 568 56 56 ASN HB2 H 3.095 0.008 . 569 56 56 ASN HB3 H 3.392 0.012 . 570 56 56 ASN HD21 H 7.945 0.006 . 571 56 56 ASN HD22 H 7.048 0.005 . 572 56 56 ASN C C 174.336 0.006 . 573 56 56 ASN CA C 56.275 0.066 . 574 56 56 ASN CB C 36.846 0.053 . 575 56 56 ASN N N 126.373 0.034 . 576 56 56 ASN ND2 N 115.047 0.027 . 577 57 57 SER H H 8.538 0.004 . 578 57 57 SER HA H 4.598 0.011 . 579 57 57 SER HB2 H 4.099 0.007 . 580 57 57 SER HB3 H 4.048 0.003 . 581 57 57 SER C C 174.107 0.112 . 582 57 57 SER CA C 59.058 0.010 . 583 57 57 SER CB C 63.916 0.034 . 584 57 57 SER N N 115.833 0.042 . 585 58 58 ASP H H 8.572 0.004 . 586 58 58 ASP HA H 4.880 0.009 . 587 58 58 ASP HB2 H 2.836 0.004 . 588 58 58 ASP HB3 H 2.112 0.007 . 589 58 58 ASP C C 173.207 0.006 . 590 58 58 ASP CA C 54.750 0.029 . 591 58 58 ASP CB C 43.018 0.052 . 592 58 58 ASP N N 124.249 0.037 . 593 59 59 ILE H H 8.197 0.004 . 594 59 59 ILE HA H 4.485 0.034 . 595 59 59 ILE HB H 1.534 0.005 . 596 59 59 ILE HD1 H 0.122 0.006 . 597 59 59 ILE HG12 H 1.031 0.006 . 598 59 59 ILE HG13 H 0.805 0.010 . 599 59 59 ILE HG2 H 0.016 0.008 . 600 59 59 ILE C C 174.827 0.000 . 601 59 59 ILE CA C 59.305 0.030 . 602 59 59 ILE CB C 37.838 0.042 . 603 59 59 ILE CD1 C 13.579 0.111 . 604 59 59 ILE CG1 C 25.950 0.000 . 605 59 59 ILE CG2 C 18.767 0.047 . 606 59 59 ILE N N 122.247 0.049 . 607 60 60 VAL H H 8.781 0.005 . 608 60 60 VAL HA H 5.010 0.008 . 609 60 60 VAL HB H 1.554 0.005 . 610 60 60 VAL HG1 H 0.742 0.004 . 611 60 60 VAL HG2 H -0.108 0.002 . 612 60 60 VAL C C 175.485 0.024 . 613 60 60 VAL CA C 60.133 0.015 . 614 60 60 VAL CB C 35.292 0.021 . 615 60 60 VAL CG1 C 21.892 0.000 . 616 60 60 VAL CG2 C 19.925 0.050 . 617 60 60 VAL N N 125.708 0.044 . 618 61 61 CYS H H 10.033 0.005 . 619 61 61 CYS HA H 4.893 0.008 . 620 61 61 CYS HB2 H 3.792 0.004 . 621 61 61 CYS HB3 H 2.937 0.006 . 622 61 61 CYS C C 175.092 0.029 . 623 61 61 CYS CA C 58.397 0.024 . 624 61 61 CYS CB C 30.453 0.014 . 625 61 61 CYS N N 129.142 0.028 . 626 62 62 GLU H H 7.891 0.007 . 627 62 62 GLU HA H 3.826 0.004 . 628 62 62 GLU HB2 H 1.872 0.007 . 629 62 62 GLU HB3 H 2.064 0.003 . 630 62 62 GLU HG2 H 2.210 0.004 . 631 62 62 GLU HG3 H 2.282 0.007 . 632 62 62 GLU C C 178.061 0.027 . 633 62 62 GLU CA C 59.585 0.012 . 634 62 62 GLU CB C 30.247 0.061 . 635 62 62 GLU CG C 36.532 0.004 . 636 62 62 GLU N N 119.035 0.039 . 637 63 63 GLN H H 8.317 0.004 . 638 63 63 GLN HA H 4.175 0.003 . 639 63 63 GLN HB2 H 2.138 0.004 . 640 63 63 GLN HB3 H 2.271 0.006 . 641 63 63 GLN HE21 H 7.652 0.004 . 642 63 63 GLN HE22 H 6.906 0.006 . 643 63 63 GLN HG2 H 2.437 0.007 . 644 63 63 GLN HG3 H 2.556 0.005 . 645 63 63 GLN C C 177.024 0.001 . 646 63 63 GLN CA C 58.851 0.028 . 647 63 63 GLN CB C 28.650 0.043 . 648 63 63 GLN CG C 34.784 0.027 . 649 63 63 GLN N N 117.349 0.036 . 650 63 63 GLN NE2 N 113.063 0.050 . 651 64 64 ASP H H 8.063 0.006 . 652 64 64 ASP HA H 5.113 0.006 . 653 64 64 ASP HB2 H 2.792 0.005 . 654 64 64 ASP HB3 H 2.933 0.004 . 655 64 64 ASP C C 176.589 0.117 . 656 64 64 ASP CA C 55.529 0.045 . 657 64 64 ASP CB C 43.477 0.026 . 658 64 64 ASP N N 119.286 0.026 . 659 65 65 ILE H H 7.395 0.004 . 660 65 65 ILE HA H 3.707 0.007 . 661 65 65 ILE HB H 1.776 0.007 . 662 65 65 ILE HD1 H 0.862 0.004 . 663 65 65 ILE HG2 H 1.028 0.006 . 664 65 65 ILE C C 177.419 0.007 . 665 65 65 ILE CA C 65.520 0.017 . 666 65 65 ILE CB C 38.526 0.034 . 667 65 65 ILE CD1 C 14.994 0.064 . 668 65 65 ILE CG1 C 28.513 0.000 . 669 65 65 ILE CG2 C 17.689 0.000 . 670 65 65 ILE N N 120.768 0.034 . 671 66 66 TYR H H 8.585 0.003 . 672 66 66 TYR HA H 4.217 0.006 . 673 66 66 TYR HB2 H 3.156 0.005 . 674 66 66 TYR HB3 H 3.170 0.001 . 675 66 66 TYR HD1 H 7.190 0.033 . 676 66 66 TYR HD2 H 7.190 0.033 . 677 66 66 TYR HE1 H 6.838 0.002 . 678 66 66 TYR HE2 H 6.838 0.002 . 679 66 66 TYR C C 178.036 0.022 . 680 66 66 TYR CA C 61.909 0.038 . 681 66 66 TYR CB C 37.272 0.027 . 682 66 66 TYR CD1 C 138.069 0.000 . 683 66 66 TYR N N 122.741 0.040 . 684 67 67 GLU H H 8.602 0.004 . 685 67 67 GLU HA H 3.978 0.005 . 686 67 67 GLU HB2 H 2.153 0.002 . 687 67 67 GLU HB3 H 2.153 0.002 . 688 67 67 GLU HG2 H 2.453 0.006 . 689 67 67 GLU HG3 H 2.453 0.006 . 690 67 67 GLU C C 178.752 0.022 . 691 67 67 GLU CA C 58.874 0.024 . 692 67 67 GLU CB C 29.421 0.018 . 693 67 67 GLU CG C 35.933 0.064 . 694 67 67 GLU N N 119.631 0.030 . 695 68 68 TRP H H 8.555 0.004 . 696 68 68 TRP HA H 4.227 0.008 . 697 68 68 TRP HB2 H 3.246 0.006 . 698 68 68 TRP HB3 H 3.359 0.006 . 699 68 68 TRP HD1 H 6.903 0.002 . 700 68 68 TRP HE1 H 10.427 0.004 . 701 68 68 TRP HE3 H 7.503 0.003 . 702 68 68 TRP HH2 H 7.114 0.004 . 703 68 68 TRP HZ2 H 7.407 0.004 . 704 68 68 TRP HZ3 H 7.002 0.002 . 705 68 68 TRP C C 178.989 0.022 . 706 68 68 TRP CA C 60.907 0.014 . 707 68 68 TRP CB C 30.484 0.054 . 708 68 68 TRP CD1 C 125.340 0.051 . 709 68 68 TRP CZ2 C 114.493 0.000 . 710 68 68 TRP N N 119.618 0.039 . 711 69 69 THR H H 8.350 0.007 . 712 69 69 THR HA H 4.025 0.008 . 713 69 69 THR HB H 4.290 0.006 . 714 69 69 THR HG2 H 1.333 0.004 . 715 69 69 THR C C 176.425 0.035 . 716 69 69 THR CA C 64.719 0.013 . 717 69 69 THR CB C 69.449 0.036 . 718 69 69 THR CG2 C 21.932 0.054 . 719 69 69 THR N N 110.636 0.033 . 720 70 70 LYS H H 7.578 0.004 . 721 70 70 LYS HA H 3.939 0.007 . 722 70 70 LYS HB2 H 1.757 0.008 . 723 70 70 LYS HB3 H 1.722 0.005 . 724 70 70 LYS HD2 H 1.569 0.008 . 725 70 70 LYS HE2 H 2.842 0.001 . 726 70 70 LYS HG2 H 1.356 0.007 . 727 70 70 LYS HG3 H 1.245 0.007 . 728 70 70 LYS C C 178.236 0.010 . 729 70 70 LYS CA C 58.957 0.015 . 730 70 70 LYS CB C 32.204 0.019 . 731 70 70 LYS CD C 29.353 0.053 . 732 70 70 LYS CE C 41.993 0.041 . 733 70 70 LYS CG C 24.554 0.021 . 734 70 70 LYS N N 122.828 0.024 . 735 71 71 ILE H H 7.506 0.005 . 736 71 71 ILE HA H 3.960 0.004 . 737 71 71 ILE HB H 1.648 0.008 . 738 71 71 ILE HD1 H 0.743 0.005 . 739 71 71 ILE HG12 H 1.401 0.007 . 740 71 71 ILE HG13 H 1.145 0.006 . 741 71 71 ILE HG2 H 0.728 0.008 . 742 71 71 ILE C C 176.820 0.024 . 743 71 71 ILE CA C 62.485 0.061 . 744 71 71 ILE CB C 38.591 0.046 . 745 71 71 ILE CD1 C 12.787 0.097 . 746 71 71 ILE CG1 C 27.651 0.009 . 747 71 71 ILE CG2 C 17.277 0.100 . 748 71 71 ILE N N 116.695 0.032 . 749 72 72 ASN H H 7.907 0.006 . 750 72 72 ASN HA H 4.602 0.006 . 751 72 72 ASN HB2 H 2.012 0.007 . 752 72 72 ASN HB3 H 2.472 0.005 . 753 72 72 ASN HD21 H 6.135 0.007 . 754 72 72 ASN HD22 H 6.012 0.006 . 755 72 72 ASN C C 175.609 0.025 . 756 72 72 ASN CA C 53.913 0.006 . 757 72 72 ASN CB C 39.264 0.052 . 758 72 72 ASN N N 117.858 0.049 . 759 72 72 ASN ND2 N 113.545 0.025 . 760 73 73 GLY H H 7.958 0.003 . 761 73 73 GLY HA2 H 4.058 0.009 . 762 73 73 GLY HA3 H 3.922 0.010 . 763 73 73 GLY C C 174.491 0.000 . 764 73 73 GLY CA C 45.687 0.000 . 765 73 73 GLY N N 109.031 0.025 . 766 82 82 GLY HA2 H 3.970 0.001 . 767 82 82 GLY HA3 H 4.012 0.001 . 768 82 82 GLY C C 174.406 0.014 . 769 82 82 GLY CA C 45.596 0.000 . 770 83 83 GLY H H 8.147 0.003 . 771 83 83 GLY HA2 H 3.923 0.010 . 772 83 83 GLY HA3 H 4.037 0.008 . 773 83 83 GLY C C 173.080 0.005 . 774 83 83 GLY CA C 45.059 0.028 . 775 83 83 GLY N N 108.266 0.031 . 776 84 84 ASP H H 8.161 0.002 . 777 84 84 ASP HA H 4.713 0.006 . 778 84 84 ASP HB2 H 2.483 0.005 . 779 84 84 ASP HB3 H 2.640 0.005 . 780 84 84 ASP C C 174.974 0.005 . 781 84 84 ASP CA C 53.816 0.018 . 782 84 84 ASP CB C 41.966 0.023 . 783 84 84 ASP N N 120.379 0.027 . 784 85 85 VAL H H 8.075 0.004 . 785 85 85 VAL HA H 3.998 0.006 . 786 85 85 VAL HB H 1.881 0.005 . 787 85 85 VAL HG1 H 0.805 0.007 . 788 85 85 VAL HG2 H 0.885 0.003 . 789 85 85 VAL C C 175.655 0.011 . 790 85 85 VAL CA C 63.021 0.021 . 791 85 85 VAL CB C 31.920 0.065 . 792 85 85 VAL CG1 C 21.669 0.003 . 793 85 85 VAL N N 121.814 0.027 . 794 86 86 MET H H 8.724 0.006 . 795 86 86 MET HA H 4.467 0.008 . 796 86 86 MET HB2 H 0.532 0.006 . 797 86 86 MET HB3 H 1.610 0.004 . 798 86 86 MET HG2 H 2.268 0.005 . 799 86 86 MET HG3 H 2.320 0.004 . 800 86 86 MET C C 173.413 0.005 . 801 86 86 MET CA C 53.858 0.014 . 802 86 86 MET CB C 35.018 0.042 . 803 86 86 MET CG C 32.546 0.020 . 804 86 86 MET N N 128.165 0.046 . 805 87 87 VAL H H 8.037 0.004 . 806 87 87 VAL HA H 4.829 0.004 . 807 87 87 VAL HB H 1.782 0.009 . 808 87 87 VAL HG1 H 0.847 0.003 . 809 87 87 VAL HG2 H 0.881 0.005 . 810 87 87 VAL C C 177.802 0.005 . 811 87 87 VAL CA C 60.494 0.002 . 812 87 87 VAL CB C 34.240 0.069 . 813 87 87 VAL CG1 C 21.397 0.055 . 814 87 87 VAL N N 117.494 0.035 . 815 88 88 VAL H H 9.453 0.005 . 816 88 88 VAL HA H 3.682 0.006 . 817 88 88 VAL HB H 2.293 0.005 . 818 88 88 VAL HG1 H 0.949 0.006 . 819 88 88 VAL HG2 H 0.802 0.007 . 820 88 88 VAL C C 176.851 0.013 . 821 88 88 VAL CA C 65.241 0.012 . 822 88 88 VAL CB C 31.915 0.070 . 823 88 88 VAL CG1 C 22.261 0.004 . 824 88 88 VAL CG2 C 24.236 0.012 . 825 88 88 VAL N N 130.803 0.049 . 826 89 89 GLY H H 8.480 0.006 . 827 89 89 GLY HA2 H 3.761 0.007 . 828 89 89 GLY HA3 H 4.532 0.010 . 829 89 89 GLY C C 171.638 0.031 . 830 89 89 GLY CA C 43.842 0.031 . 831 89 89 GLY N N 120.293 0.035 . 832 90 90 GLU H H 8.155 0.002 . 833 90 90 GLU HA H 4.408 0.007 . 834 90 90 GLU C C 175.398 0.000 . 835 90 90 GLU CA C 54.773 0.049 . 836 90 90 GLU CB C 29.503 0.000 . 837 90 90 GLU N N 117.537 0.037 . 838 91 91 PRO HA H 4.939 0.006 . 839 91 91 PRO HB2 H 1.999 0.006 . 840 91 91 PRO HB3 H 2.191 0.003 . 841 91 91 PRO HD2 H 3.779 0.004 . 842 91 91 PRO HD3 H 3.831 0.006 . 843 91 91 PRO HG2 H 2.016 0.011 . 844 91 91 PRO HG3 H 2.042 0.007 . 845 91 91 PRO C C 175.980 0.013 . 846 91 91 PRO CA C 62.864 0.015 . 847 91 91 PRO CB C 33.301 0.018 . 848 91 91 PRO CD C 50.424 0.080 . 849 91 91 PRO CG C 27.148 0.051 . 850 92 92 THR H H 8.655 0.005 . 851 92 92 THR HA H 4.679 0.004 . 852 92 92 THR HB H 4.038 0.005 . 853 92 92 THR HG2 H 1.165 0.006 . 854 92 92 THR C C 174.572 0.025 . 855 92 92 THR CA C 59.587 0.023 . 856 92 92 THR CB C 72.326 0.035 . 857 92 92 THR CG2 C 21.740 0.093 . 858 92 92 THR N N 111.431 0.037 . 859 93 93 LEU H H 8.779 0.002 . 860 93 93 LEU HA H 4.526 0.005 . 861 93 93 LEU HB2 H 1.523 0.010 . 862 93 93 LEU HB3 H 1.605 0.010 . 863 93 93 LEU HD1 H 0.928 0.002 . 864 93 93 LEU HD2 H 0.877 0.002 . 865 93 93 LEU HG H 1.690 0.000 . 866 93 93 LEU C C 178.782 0.014 . 867 93 93 LEU CA C 55.540 0.036 . 868 93 93 LEU CB C 42.962 0.018 . 869 93 93 LEU CD1 C 24.933 0.000 . 870 93 93 LEU CG C 27.161 0.000 . 871 93 93 LEU N N 127.520 0.044 . 872 94 94 MET H H 8.801 0.004 . 873 94 94 MET HA H 4.200 0.004 . 874 94 94 MET C C 177.610 0.000 . 875 94 94 MET CA C 57.670 0.000 . 876 94 94 MET CB C 32.976 0.000 . 877 94 94 MET N N 126.137 0.043 . 878 95 95 GLY HA2 H 3.969 0.001 . 879 95 95 GLY HA3 H 3.926 0.001 . 880 95 95 GLY C C 173.582 0.000 . 881 95 95 GLY CA C 45.040 0.015 . 882 96 96 GLY H H 7.931 0.007 . 883 96 96 GLY HA2 H 3.963 0.018 . 884 96 96 GLY HA3 H 3.903 0.005 . 885 96 96 GLY C C 173.839 0.031 . 886 96 96 GLY CA C 45.055 0.025 . 887 96 96 GLY N N 106.580 0.024 . 888 97 97 GLU H H 8.329 0.002 . 889 97 97 GLU HA H 4.230 0.008 . 890 97 97 GLU HB2 H 1.781 0.005 . 891 97 97 GLU HB3 H 1.887 0.007 . 892 97 97 GLU HG2 H 2.023 0.009 . 893 97 97 GLU HG3 H 2.074 0.004 . 894 97 97 GLU C C 176.269 0.001 . 895 97 97 GLU CA C 56.605 0.019 . 896 97 97 GLU CB C 30.387 0.040 . 897 97 97 GLU CG C 36.089 0.138 . 898 97 97 GLU N N 120.027 0.020 . 899 98 98 PHE H H 8.387 0.004 . 900 98 98 PHE HA H 4.655 0.004 . 901 98 98 PHE HB2 H 2.961 0.008 . 902 98 98 PHE HB3 H 3.198 0.007 . 903 98 98 PHE HD1 H 7.229 0.007 . 904 98 98 PHE HD2 H 7.229 0.007 . 905 98 98 PHE C C 176.175 0.017 . 906 98 98 PHE CA C 57.808 0.014 . 907 98 98 PHE CB C 39.609 0.031 . 908 98 98 PHE N N 120.980 0.032 . 909 99 99 GLY H H 8.427 0.006 . 910 99 99 GLY HA2 H 3.940 0.015 . 911 99 99 GLY HA3 H 3.976 0.015 . 912 99 99 GLY C C 173.763 0.009 . 913 99 99 GLY CA C 45.323 0.025 . 914 99 99 GLY N N 111.065 0.021 . 915 100 100 ASP H H 8.279 0.005 . 916 100 100 ASP HA H 4.550 0.024 . 917 100 100 ASP HB2 H 2.625 0.005 . 918 100 100 ASP HB3 H 2.734 0.004 . 919 100 100 ASP C C 176.911 0.000 . 920 100 100 ASP CA C 54.918 0.032 . 921 100 100 ASP CB C 41.265 0.034 . 922 100 100 ASP N N 120.788 0.044 . 923 101 101 GLU H H 8.409 0.003 . 924 101 101 GLU HA H 4.174 0.011 . 925 101 101 GLU C C 176.998 0.000 . 926 101 101 GLU CA C 57.544 0.000 . 927 101 101 GLU CB C 29.886 0.000 . 928 101 101 GLU N N 122.271 0.027 . 929 102 102 ASP HA H 4.620 0.005 . 930 102 102 ASP HB2 H 2.611 0.013 . 931 102 102 ASP HB3 H 2.723 0.008 . 932 102 102 ASP C C 176.675 0.000 . 933 102 102 ASP CA C 54.610 0.007 . 934 102 102 ASP CB C 41.461 0.044 . 935 103 103 GLU H H 8.560 0.004 . 936 103 103 GLU HA H 4.188 0.018 . 937 103 103 GLU HB2 H 1.988 0.020 . 938 103 103 GLU HB3 H 2.073 0.004 . 939 103 103 GLU HG2 H 2.245 0.004 . 940 103 103 GLU HG3 H 2.292 0.008 . 941 103 103 GLU C C 177.008 0.000 . 942 103 103 GLU CA C 57.479 0.066 . 943 103 103 GLU CB C 29.980 0.076 . 944 103 103 GLU CG C 36.374 0.000 . 945 103 103 GLU N N 120.913 0.017 . 946 104 104 ARG H H 8.240 0.009 . 947 104 104 ARG HA H 4.219 0.008 . 948 104 104 ARG HB2 H 1.784 0.003 . 949 104 104 ARG HB3 H 1.820 0.011 . 950 104 104 ARG HD2 H 3.141 0.003 . 951 104 104 ARG HD3 H 3.183 0.005 . 952 104 104 ARG HG2 H 1.605 0.008 . 953 104 104 ARG HG3 H 1.640 0.009 . 954 104 104 ARG C C 176.733 0.021 . 955 104 104 ARG CA C 56.926 0.017 . 956 104 104 ARG CB C 30.398 0.028 . 957 104 104 ARG CD C 43.490 0.000 . 958 104 104 ARG CG C 27.234 0.000 . 959 104 104 ARG N N 120.548 0.037 . 960 105 105 LEU H H 8.013 0.007 . 961 105 105 LEU HA H 4.320 0.011 . 962 105 105 LEU HB2 H 1.589 0.004 . 963 105 105 LEU HB3 H 1.679 0.005 . 964 105 105 LEU HD1 H 0.917 0.002 . 965 105 105 LEU HD2 H 0.848 0.005 . 966 105 105 LEU HG H 1.644 0.000 . 967 105 105 LEU C C 177.451 0.034 . 968 105 105 LEU CA C 55.611 0.012 . 969 105 105 LEU CB C 42.166 0.033 . 970 105 105 LEU CD1 C 25.033 0.000 . 971 105 105 LEU CD2 C 23.595 0.000 . 972 105 105 LEU CG C 27.154 0.000 . 973 105 105 LEU N N 121.636 0.047 . 974 106 106 ILE H H 7.959 0.003 . 975 106 106 ILE HA H 4.177 0.019 . 976 106 106 ILE HB H 1.890 0.013 . 977 106 106 ILE HD1 H 0.858 0.006 . 978 106 106 ILE HG12 H 1.478 0.007 . 979 106 106 ILE HG13 H 1.185 0.010 . 980 106 106 ILE HG2 H 0.896 0.007 . 981 106 106 ILE C C 176.819 0.400 . 982 106 106 ILE CA C 61.495 0.167 . 983 106 106 ILE CB C 38.584 0.054 . 984 106 106 ILE CD1 C 13.225 0.000 . 985 106 106 ILE CG1 C 27.362 0.082 . 986 106 106 ILE CG2 C 17.482 0.062 . 987 106 106 ILE N N 121.193 0.033 . 988 107 107 THR H H 8.120 0.003 . 989 107 107 THR HA H 4.295 0.009 . 990 107 107 THR HB H 4.156 0.018 . 991 107 107 THR HG2 H 1.203 0.011 . 992 107 107 THR C C 174.489 0.005 . 993 107 107 THR CA C 62.381 0.021 . 994 107 107 THR CB C 69.671 0.094 . 995 107 107 THR CG2 C 21.752 0.066 . 996 107 107 THR N N 118.168 0.033 . 997 108 108 ARG H H 8.234 0.004 . 998 108 108 ARG HA H 4.366 0.008 . 999 108 108 ARG HB2 H 1.771 0.006 . 1000 108 108 ARG HB3 H 1.860 0.005 . 1001 108 108 ARG HD2 H 3.170 0.000 . 1002 108 108 ARG HD3 H 3.180 0.001 . 1003 108 108 ARG HG2 H 1.582 0.007 . 1004 108 108 ARG HG3 H 1.618 0.003 . 1005 108 108 ARG C C 176.204 0.003 . 1006 108 108 ARG CA C 56.247 0.036 . 1007 108 108 ARG CB C 30.785 0.022 . 1008 108 108 ARG CD C 43.489 0.000 . 1009 108 108 ARG CG C 27.231 0.000 . 1010 108 108 ARG N N 123.848 0.025 . 1011 109 109 LEU H H 8.286 0.003 . 1012 109 109 LEU HA H 4.340 0.004 . 1013 109 109 LEU HB2 H 1.584 0.003 . 1014 109 109 LEU HB3 H 1.683 0.004 . 1015 109 109 LEU HD1 H 0.922 0.002 . 1016 109 109 LEU HD2 H 0.869 0.003 . 1017 109 109 LEU HG H 1.631 0.000 . 1018 109 109 LEU C C 177.561 0.025 . 1019 109 109 LEU CA C 55.399 0.031 . 1020 109 109 LEU CB C 42.353 0.035 . 1021 109 109 LEU CD1 C 24.997 0.000 . 1022 109 109 LEU CD2 C 23.527 0.068 . 1023 109 109 LEU CG C 26.974 0.000 . 1024 109 109 LEU N N 123.773 0.058 . 1025 110 110 GLU H H 8.444 0.003 . 1026 110 110 GLU HA H 4.281 0.007 . 1027 110 110 GLU HB2 H 1.952 0.003 . 1028 110 110 GLU HB3 H 2.063 0.008 . 1029 110 110 GLU HG2 H 2.271 0.001 . 1030 110 110 GLU HG3 H 2.273 0.006 . 1031 110 110 GLU C C 176.348 0.049 . 1032 110 110 GLU CA C 56.820 0.036 . 1033 110 110 GLU CB C 30.264 0.040 . 1034 110 110 GLU CG C 36.320 0.000 . 1035 110 110 GLU N N 121.395 0.017 . 1036 111 111 ASN H H 8.437 0.004 . 1037 111 111 ASN HA H 4.774 0.006 . 1038 111 111 ASN HB2 H 2.786 0.005 . 1039 111 111 ASN HB3 H 2.878 0.007 . 1040 111 111 ASN HD21 H 7.611 0.003 . 1041 111 111 ASN HD22 H 6.905 0.003 . 1042 111 111 ASN C C 175.532 0.013 . 1043 111 111 ASN CA C 53.458 0.031 . 1044 111 111 ASN CB C 38.892 0.022 . 1045 111 111 ASN N N 119.563 0.013 . 1046 111 111 ASN ND2 N 112.862 0.019 . 1047 112 112 THR H H 8.116 0.003 . 1048 112 112 THR HA H 4.294 0.005 . 1049 112 112 THR HB H 4.216 0.012 . 1050 112 112 THR HG2 H 1.156 0.006 . 1051 112 112 THR C C 174.553 0.039 . 1052 112 112 THR CA C 62.206 0.029 . 1053 112 112 THR CB C 69.808 0.086 . 1054 112 112 THR CG2 C 21.780 0.000 . 1055 112 112 THR N N 114.382 0.019 . 1056 113 113 GLN H H 8.316 0.002 . 1057 113 113 GLN HA H 4.295 0.006 . 1058 113 113 GLN HB2 H 1.925 0.008 . 1059 113 113 GLN HB3 H 2.006 0.001 . 1060 113 113 GLN HE21 H 7.500 0.008 . 1061 113 113 GLN HE22 H 6.819 0.003 . 1062 113 113 GLN HG2 H 2.208 0.004 . 1063 113 113 GLN HG3 H 2.261 0.000 . 1064 113 113 GLN C C 175.651 0.004 . 1065 113 113 GLN CA C 55.974 0.052 . 1066 113 113 GLN CB C 29.315 0.039 . 1067 113 113 GLN CG C 33.714 0.000 . 1068 113 113 GLN N N 122.341 0.023 . 1069 113 113 GLN NE2 N 112.761 0.019 . 1070 114 114 PHE H H 8.189 0.003 . 1071 114 114 PHE HA H 4.611 0.011 . 1072 114 114 PHE HB2 H 2.998 0.006 . 1073 114 114 PHE HB3 H 3.161 0.009 . 1074 114 114 PHE C C 175.380 0.037 . 1075 114 114 PHE CA C 57.849 0.029 . 1076 114 114 PHE CB C 39.638 0.008 . 1077 114 114 PHE N N 121.625 0.036 . 1078 115 115 ASP H H 8.240 0.002 . 1079 115 115 ASP HA H 4.556 0.003 . 1080 115 115 ASP HB2 H 2.582 0.005 . 1081 115 115 ASP HB3 H 2.671 0.005 . 1082 115 115 ASP C C 175.864 0.052 . 1083 115 115 ASP CA C 54.199 0.035 . 1084 115 115 ASP CB C 41.313 0.014 . 1085 115 115 ASP N N 122.638 0.026 . 1086 116 116 ALA H H 8.174 0.002 . 1087 116 116 ALA HA H 4.232 0.007 . 1088 116 116 ALA HB H 1.399 0.007 . 1089 116 116 ALA C C 177.731 0.005 . 1090 116 116 ALA CA C 52.817 0.041 . 1091 116 116 ALA CB C 19.219 0.086 . 1092 116 116 ALA N N 125.159 0.038 . 1093 117 117 ALA H H 8.261 0.002 . 1094 117 117 ALA HA H 4.298 0.005 . 1095 117 117 ALA HB H 1.391 0.006 . 1096 117 117 ALA C C 177.740 0.001 . 1097 117 117 ALA CA C 52.737 0.067 . 1098 117 117 ALA CB C 19.037 0.031 . 1099 117 117 ALA N N 122.762 0.034 . 1100 118 118 ASN H H 8.224 0.003 . 1101 118 118 ASN HA H 4.713 0.006 . 1102 118 118 ASN HB2 H 2.763 0.004 . 1103 118 118 ASN HB3 H 2.844 0.007 . 1104 118 118 ASN HD21 H 7.647 0.003 . 1105 118 118 ASN HD22 H 6.916 0.000 . 1106 118 118 ASN C C 175.744 0.015 . 1107 118 118 ASN CA C 53.359 0.014 . 1108 118 118 ASN CB C 39.168 0.008 . 1109 118 118 ASN N N 117.645 0.031 . 1110 118 118 ASN ND2 N 113.417 0.001 . 1111 119 119 GLY H H 8.343 0.002 . 1112 119 119 GLY HA2 H 3.994 0.004 . 1113 119 119 GLY HA3 H 3.955 0.009 . 1114 119 119 GLY C C 174.079 0.000 . 1115 119 119 GLY CA C 45.556 0.023 . 1116 119 119 GLY N N 109.663 0.031 . 1117 120 120 ILE H H 7.984 0.001 . 1118 120 120 ILE HA H 4.209 0.003 . 1119 120 120 ILE HB H 1.876 0.006 . 1120 120 120 ILE HD1 H 0.855 0.005 . 1121 120 120 ILE HG12 H 1.428 0.011 . 1122 120 120 ILE HG13 H 1.139 0.006 . 1123 120 120 ILE HG2 H 0.903 0.006 . 1124 120 120 ILE C C 175.984 0.001 . 1125 120 120 ILE CA C 61.135 0.063 . 1126 120 120 ILE CB C 38.893 0.026 . 1127 120 120 ILE CD1 C 13.254 0.000 . 1128 120 120 ILE CG1 C 27.154 0.000 . 1129 120 120 ILE CG2 C 17.536 0.075 . 1130 120 120 ILE N N 120.005 0.026 . 1131 121 121 ASP H H 8.404 0.002 . 1132 121 121 ASP HA H 4.660 0.002 . 1133 121 121 ASP HB2 H 2.587 0.004 . 1134 121 121 ASP HB3 H 2.732 0.006 . 1135 121 121 ASP C C 175.826 0.039 . 1136 121 121 ASP CA C 54.481 0.028 . 1137 121 121 ASP CB C 41.388 0.017 . 1138 121 121 ASP N N 124.169 0.033 . 1139 122 122 ASP H H 8.221 0.001 . 1140 122 122 ASP HA H 4.618 0.003 . 1141 122 122 ASP HB2 H 2.594 0.002 . 1142 122 122 ASP HB3 H 2.719 0.002 . 1143 122 122 ASP C C 175.340 0.042 . 1144 122 122 ASP CA C 54.473 0.008 . 1145 122 122 ASP CB C 41.382 0.005 . 1146 122 122 ASP N N 121.293 0.020 . 1147 123 123 GLU H H 7.904 0.001 . 1148 123 123 GLU HA H 4.095 0.007 . 1149 123 123 GLU C C 181.267 0.000 . 1150 123 123 GLU CA C 58.187 0.000 . 1151 123 123 GLU CB C 31.233 0.000 . 1152 123 123 GLU N N 125.983 0.022 . stop_ save_