data_18905 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RRM2 domain of the protein RBM10 from homo sapiens ; _BMRB_accession_number 18905 _BMRB_flat_file_name bmr18905.str _Entry_type original _Submission_date 2012-12-17 _Accession_date 2012-12-17 _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 Serrano Pedro . . 2 Geralt Michael . . 3 Dutta Samit K. . 4 Wuthrich Kurt . . 5 Wrobel Russell L. . 6 Makino Shi-Ichi . . 7 Misenhiemer Tina M. . 8 Markley John L. . 9 Fox Brian G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 606 "13C chemical shifts" 446 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-01 original author . stop_ _Original_release_date 2013-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the RRM2 domain of the protein RBM10 from homo sapiens' _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 Serrano Pedro . . 2 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM2 domain of the protein RBM10 from homo sapiens' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM2 domain of the protein RBM10 from homo sapiens' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13784.618 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; QAQGVLASQALSQGSEPSSE NANDTIILRNLNPHSTMDSI LGALAPYAVLSSSNVRVIKD KQTQLNRGFAFIQLSTIEAA QLLQILQALHPPLTIDGKTI NVEFAKGSKRDMASNEGSRI SAASVASTAIA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLN 2 2 ALA 3 3 GLN 4 4 GLY 5 5 VAL 6 6 LEU 7 7 ALA 8 8 SER 9 9 GLN 10 10 ALA 11 11 LEU 12 12 SER 13 13 GLN 14 14 GLY 15 15 SER 16 16 GLU 17 17 PRO 18 18 SER 19 19 SER 20 20 GLU 21 21 ASN 22 22 ALA 23 23 ASN 24 24 ASP 25 25 THR 26 26 ILE 27 27 ILE 28 28 LEU 29 29 ARG 30 30 ASN 31 31 LEU 32 32 ASN 33 33 PRO 34 34 HIS 35 35 SER 36 36 THR 37 37 MET 38 38 ASP 39 39 SER 40 40 ILE 41 41 LEU 42 42 GLY 43 43 ALA 44 44 LEU 45 45 ALA 46 46 PRO 47 47 TYR 48 48 ALA 49 49 VAL 50 50 LEU 51 51 SER 52 52 SER 53 53 SER 54 54 ASN 55 55 VAL 56 56 ARG 57 57 VAL 58 58 ILE 59 59 LYS 60 60 ASP 61 61 LYS 62 62 GLN 63 63 THR 64 64 GLN 65 65 LEU 66 66 ASN 67 67 ARG 68 68 GLY 69 69 PHE 70 70 ALA 71 71 PHE 72 72 ILE 73 73 GLN 74 74 LEU 75 75 SER 76 76 THR 77 77 ILE 78 78 GLU 79 79 ALA 80 80 ALA 81 81 GLN 82 82 LEU 83 83 LEU 84 84 GLN 85 85 ILE 86 86 LEU 87 87 GLN 88 88 ALA 89 89 LEU 90 90 HIS 91 91 PRO 92 92 PRO 93 93 LEU 94 94 THR 95 95 ILE 96 96 ASP 97 97 GLY 98 98 LYS 99 99 THR 100 100 ILE 101 101 ASN 102 102 VAL 103 103 GLU 104 104 PHE 105 105 ALA 106 106 LYS 107 107 GLY 108 108 SER 109 109 LYS 110 110 ARG 111 111 ASP 112 112 MET 113 113 ALA 114 114 SER 115 115 ASN 116 116 GLU 117 117 GLY 118 118 SER 119 119 ARG 120 120 ILE 121 121 SER 122 122 ALA 123 123 ALA 124 124 SER 125 125 VAL 126 126 ALA 127 127 SER 128 128 THR 129 129 ALA 130 130 ILE 131 131 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2M2B "Nmr Structure Of The Rrm2 Domain Of The Protein Rbm10 From Homo Sapiens" 100.00 131 100.00 100.00 1.48e-86 DBJ BAA12144 "S1-1 protein [Rattus norvegicus]" 100.76 852 97.73 98.48 1.57e-76 DBJ BAC31087 "unnamed protein product [Mus musculus]" 100.00 557 98.47 99.24 1.85e-80 DBJ BAC40753 "unnamed protein product [Mus musculus]" 100.76 853 97.73 98.48 1.41e-76 DBJ BAE39715 "unnamed protein product [Mus musculus]" 100.76 853 97.73 98.48 1.45e-76 DBJ BAF85447 "unnamed protein product [Homo sapiens]" 100.76 853 99.24 99.24 8.67e-78 GB AAH03089 "RNA binding motif protein 10 [Homo sapiens]" 100.00 852 100.00 100.00 1.65e-79 GB AAH93519 "Rbm10 protein, partial [Mus musculus]" 100.00 591 98.47 99.24 1.87e-80 GB AIC55382 "RBM10, partial [synthetic construct]" 100.00 852 100.00 100.00 1.57e-79 GB EAW59284 "RNA binding motif protein 10, isoform CRA_b [Homo sapiens]" 100.00 852 100.00 100.00 1.65e-79 GB EAW59287 "RNA binding motif protein 10, isoform CRA_e [Homo sapiens]" 100.76 853 99.24 99.24 8.67e-78 REF NP_001161248 "RNA-binding protein 10 isoform 3 [Mus musculus]" 100.76 853 97.73 98.48 1.41e-76 REF NP_001191395 "RNA-binding protein 10 isoform 3 [Homo sapiens]" 100.76 853 99.24 99.24 8.67e-78 REF NP_690595 "RNA-binding protein 10 isoform 2 [Homo sapiens]" 100.00 852 100.00 100.00 1.65e-79 REF NP_690600 "RNA-binding protein 10 [Rattus norvegicus]" 100.76 852 97.73 98.48 1.57e-76 REF XP_003135120 "PREDICTED: RNA-binding protein 10 isoform X1 [Sus scrofa]" 100.76 854 98.48 99.24 2.71e-77 SP P70501 "RecName: Full=RNA-binding protein 10; AltName: Full=RNA-binding motif protein 10; AltName: Full=RNA-binding protein S1-1" 100.76 852 97.73 98.48 1.57e-76 TPG DAA12903 "TPA: RNA binding motif protein 10 isoform 2 [Bos taurus]" 100.00 852 99.24 100.00 4.49e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'obtained from a collaborator' . wheat "germ - cell free" . 'pEU-His-Flexi vector with the JCSG TEV' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium acetate' 10 mM '[U-99% 2H]' 'sodium azide' 5 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 95 % 'natural abundance' D20 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement 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_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_APSY_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HACANH' _Sample_label $sample_1 save_ save_5D_APSY_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY_HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HACACONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.220 . M pH 5 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '4D APSY HACANH' '5D APSY CBCACONH' '5D APSY HACACONH' 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 'RRM2 domain of the protein RBM10 from homo sapiens' _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 4 4 GLY H H 8.391 0.000 . 2 4 4 GLY HA2 H 3.890 0.000 . 3 4 4 GLY HA3 H 3.939 0.000 . 4 4 4 GLY C C 171.413 0.000 . 5 4 4 GLY CA C 42.667 0.000 . 6 4 4 GLY N N 110.117 0.000 . 7 5 5 VAL H H 7.951 0.000 . 8 5 5 VAL HA H 4.018 0.000 . 9 5 5 VAL HB H 1.997 0.000 . 10 5 5 VAL HG1 H 1.966 0.000 . 11 5 5 VAL HG2 H 0.828 0.000 . 12 5 5 VAL C C 173.738 0.000 . 13 5 5 VAL CA C 59.923 0.000 . 14 5 5 VAL CB C 30.111 0.000 . 15 5 5 VAL N N 119.501 0.000 . 16 6 6 LEU H H 8.248 0.000 . 17 6 6 LEU HA H 4.280 0.000 . 18 6 6 LEU HB2 H 1.522 0.000 . 19 6 6 LEU HB3 H 1.577 0.000 . 20 6 6 LEU HG H 1.318 0.000 . 21 6 6 LEU HD1 H 0.849 0.000 . 22 6 6 LEU HD2 H 0.796 0.000 . 23 6 6 LEU C C 174.708 0.000 . 24 6 6 LEU CA C 52.535 0.000 . 25 6 6 LEU CB C 39.586 0.000 . 26 6 6 LEU CD1 C 22.337 0.000 . 27 6 6 LEU CD2 C 20.821 0.000 . 28 6 6 LEU N N 125.484 0.000 . 29 7 7 ALA H H 8.241 0.000 . 30 7 7 ALA HA H 4.234 0.000 . 31 7 7 ALA HB H 1.329 0.000 . 32 7 7 ALA C C 174.865 0.000 . 33 7 7 ALA CA C 50.136 0.000 . 34 7 7 ALA CB C 16.500 0.000 . 35 7 7 ALA N N 124.939 0.000 . 36 8 8 SER H H 8.347 0.000 . 37 8 8 SER HA H 4.377 0.000 . 38 8 8 SER HB2 H 3.786 0.000 . 39 8 8 SER HB3 H 3.848 0.000 . 40 8 8 SER C C 172.221 0.000 . 41 8 8 SER CA C 56.008 0.000 . 42 8 8 SER CB C 61.008 0.000 . 43 8 8 SER N N 117.901 0.000 . 44 9 9 GLN H H 8.240 0.000 . 45 9 9 GLN HA H 4.302 0.000 . 46 9 9 GLN HB2 H 2.062 0.000 . 47 9 9 GLN HB3 H 1.941 0.000 . 48 9 9 GLN HG2 H 2.314 0.000 . 49 9 9 GLN HG3 H 2.314 0.000 . 50 9 9 GLN C C 173.160 0.000 . 51 9 9 GLN CA C 53.470 0.000 . 52 9 9 GLN CB C 26.663 0.000 . 53 9 9 GLN CG C 31.256 0.000 . 54 9 9 GLN N N 122.019 0.000 . 55 10 10 ALA H H 8.132 0.000 . 56 10 10 ALA HA H 4.238 0.000 . 57 10 10 ALA HB H 1.324 0.000 . 58 10 10 ALA C C 175.142 0.000 . 59 10 10 ALA CA C 50.121 0.000 . 60 10 10 ALA CB C 16.322 0.000 . 61 10 10 ALA N N 124.490 0.000 . 62 11 11 LEU H H 8.088 0.000 . 63 11 11 LEU HA H 4.278 0.000 . 64 11 11 LEU HB2 H 1.587 0.000 . 65 11 11 LEU HB3 H 1.522 0.000 . 66 11 11 LEU HD1 H 0.813 0.000 . 67 11 11 LEU C C 174.929 0.000 . 68 11 11 LEU CA C 52.612 0.000 . 69 11 11 LEU CB C 39.647 0.000 . 70 11 11 LEU CD1 C 21.521 0.000 . 71 11 11 LEU N N 120.785 0.000 . 72 12 12 SER H H 8.170 0.000 . 73 12 12 SER C C 171.977 0.000 . 74 12 12 SER CA C 55.621 0.000 . 75 12 12 SER CB C 56.041 0.000 . 76 12 12 SER N N 116.121 0.000 . 77 13 13 GLN H H 8.368 0.000 . 78 13 13 GLN HA H 4.312 0.000 . 79 13 13 GLN HB2 H 2.269 0.000 . 80 13 13 GLN CA C 54.059 0.000 . 81 13 13 GLN N N 122.139 0.000 . 82 14 14 GLY H H 8.378 0.000 . 83 14 14 GLY HA2 H 3.941 0.000 . 84 14 14 GLY HA3 H 3.894 0.000 . 85 14 14 GLY CA C 42.970 0.000 . 86 14 14 GLY N N 109.259 0.000 . 87 15 15 SER H H 8.085 0.000 . 88 15 15 SER HA H 4.378 0.000 . 89 15 15 SER HB2 H 3.856 0.000 . 90 15 15 SER HB3 H 4.152 0.000 . 91 15 15 SER CA C 55.853 0.000 . 92 15 15 SER CB C 59.406 0.000 . 93 15 15 SER N N 115.486 0.000 . 94 16 16 GLU H H 8.376 0.000 . 95 16 16 GLU HA H 4.664 0.000 . 96 16 16 GLU HB2 H 2.715 0.000 . 97 16 16 GLU HB3 H 2.782 0.000 . 98 16 16 GLU CA C 50.628 0.000 . 99 16 16 GLU CB C 36.442 0.000 . 100 16 16 GLU N N 120.501 0.000 . 101 17 17 PRO CA C 65.700 0.000 . 102 22 22 ALA H H 8.096 0.000 . 103 22 22 ALA HA H 4.178 0.000 . 104 22 22 ALA HB H 1.266 0.000 . 105 22 22 ALA CA C 49.746 0.000 . 106 22 22 ALA CB C 16.789 0.000 . 107 22 22 ALA N N 124.130 0.000 . 108 23 23 ASN H H 8.037 0.000 . 109 23 23 ASN HA H 4.672 0.000 . 110 23 23 ASN HB2 H 2.297 0.000 . 111 23 23 ASN HB3 H 2.240 0.000 . 112 23 23 ASN HD21 H 6.641 0.000 . 113 23 23 ASN HD22 H 7.103 0.000 . 114 23 23 ASN C C 171.179 0.000 . 115 23 23 ASN CA C 50.084 0.000 . 116 23 23 ASN CB C 36.737 0.000 . 117 23 23 ASN N N 117.516 0.000 . 118 23 23 ASN ND2 N 112.097 0.000 . 119 24 24 ASP H H 8.198 0.000 . 120 24 24 ASP HA H 4.676 0.000 . 121 24 24 ASP HB2 H 2.479 0.000 . 122 24 24 ASP HB3 H 2.818 0.000 . 123 24 24 ASP CA C 50.660 0.000 . 124 24 24 ASP CB C 40.670 0.000 . 125 24 24 ASP N N 118.387 0.000 . 126 25 25 THR H H 8.090 0.000 . 127 25 25 THR HA H 5.275 0.000 . 128 25 25 THR HB H 3.839 0.000 . 129 25 25 THR HG2 H 1.000 0.000 . 130 25 25 THR CA C 59.162 0.000 . 131 25 25 THR CB C 68.849 0.000 . 132 25 25 THR CG2 C 19.140 0.000 . 133 25 25 THR N N 114.224 0.000 . 134 26 26 ILE H H 9.314 0.000 . 135 26 26 ILE HA H 4.650 0.000 . 136 26 26 ILE HB H 1.649 0.000 . 137 26 26 ILE HG12 H 1.574 0.000 . 138 26 26 ILE HG13 H 0.978 0.000 . 139 26 26 ILE HG2 H 0.676 0.000 . 140 26 26 ILE HD1 H 0.819 0.000 . 141 26 26 ILE C C 171.500 0.000 . 142 26 26 ILE CA C 56.930 0.000 . 143 26 26 ILE CB C 38.159 0.000 . 144 26 26 ILE CG1 C 25.661 0.000 . 145 26 26 ILE CG2 C 15.110 0.000 . 146 26 26 ILE CD1 C 11.218 0.000 . 147 26 26 ILE N N 126.637 0.000 . 148 27 27 ILE H H 9.280 0.000 . 149 27 27 ILE HA H 4.955 0.000 . 150 27 27 ILE HB H 1.565 0.000 . 151 27 27 ILE HG12 H 1.292 0.000 . 152 27 27 ILE HG13 H 0.774 0.000 . 153 27 27 ILE HG2 H 0.727 0.000 . 154 27 27 ILE HD1 H 0.602 0.000 . 155 27 27 ILE C C 171.462 0.000 . 156 27 27 ILE CA C 56.909 0.000 . 157 27 27 ILE CB C 38.397 0.000 . 158 27 27 ILE CG1 C 25.649 0.000 . 159 27 27 ILE CG2 C 14.060 0.000 . 160 27 27 ILE CD1 C 11.672 0.000 . 161 27 27 ILE N N 126.764 0.000 . 162 28 28 LEU H H 8.791 0.000 . 163 28 28 LEU HA H 4.858 0.000 . 164 28 28 LEU HB2 H 1.608 0.000 . 165 28 28 LEU HB3 H 1.137 0.000 . 166 28 28 LEU HG H 1.507 0.000 . 167 28 28 LEU HD1 H 0.630 0.000 . 168 28 28 LEU HD2 H 0.590 0.000 . 169 28 28 LEU C C 172.714 0.000 . 170 28 28 LEU CA C 50.153 0.000 . 171 28 28 LEU CB C 39.943 0.000 . 172 28 28 LEU CG C 24.475 0.000 . 173 28 28 LEU CD1 C 23.170 0.000 . 174 28 28 LEU CD2 C 20.933 0.000 . 175 28 28 LEU N N 125.666 0.000 . 176 29 29 ARG H H 8.742 0.000 . 177 29 29 ARG HA H 5.023 0.000 . 178 29 29 ARG HB2 H 1.617 0.000 . 179 29 29 ARG HB3 H 1.795 0.000 . 180 29 29 ARG HG2 H 1.429 0.000 . 181 29 29 ARG HG3 H 1.461 0.000 . 182 29 29 ARG HD2 H 2.983 0.000 . 183 29 29 ARG HD3 H 2.983 0.000 . 184 29 29 ARG C C 172.927 0.000 . 185 29 29 ARG CA C 51.933 0.000 . 186 29 29 ARG CB C 31.298 0.000 . 187 29 29 ARG CG C 26.210 0.000 . 188 29 29 ARG CD C 40.721 0.000 . 189 29 29 ARG N N 119.656 0.000 . 190 30 30 ASN H H 8.292 0.000 . 191 30 30 ASN HA H 4.319 0.000 . 192 30 30 ASN HB2 H 3.526 0.000 . 193 30 30 ASN HB3 H 2.768 0.000 . 194 30 30 ASN HD21 H 6.776 0.000 . 195 30 30 ASN HD22 H 8.028 0.000 . 196 30 30 ASN C C 172.025 0.000 . 197 30 30 ASN CA C 51.550 0.000 . 198 30 30 ASN CB C 35.656 0.000 . 199 30 30 ASN N N 115.104 0.000 . 200 30 30 ASN ND2 N 112.659 0.000 . 201 31 31 LEU H H 7.602 0.000 . 202 31 31 LEU HA H 3.915 0.000 . 203 31 31 LEU HB2 H 1.107 0.000 . 204 31 31 LEU HB3 H 1.011 0.000 . 205 31 31 LEU HG H 1.312 0.000 . 206 31 31 LEU HD1 H 0.564 0.000 . 207 31 31 LEU HD2 H 0.422 0.000 . 208 31 31 LEU C C 175.815 0.000 . 209 31 31 LEU CA C 52.148 0.000 . 210 31 31 LEU CB C 39.876 0.000 . 211 31 31 LEU CG C 24.451 0.000 . 212 31 31 LEU CD1 C 21.286 0.000 . 213 31 31 LEU CD2 C 23.686 0.000 . 214 31 31 LEU N N 113.394 0.000 . 215 32 32 ASN H H 9.816 0.000 . 216 32 32 ASN HA H 4.476 0.000 . 217 32 32 ASN HB2 H 3.639 0.000 . 218 32 32 ASN HB3 H 2.479 0.000 . 219 32 32 ASN HD21 H 7.357 0.000 . 220 32 32 ASN HD22 H 7.926 0.000 . 221 32 32 ASN CA C 48.784 0.000 . 222 32 32 ASN CB C 36.284 0.000 . 223 32 32 ASN N N 123.357 0.000 . 224 32 32 ASN ND2 N 113.808 0.000 . 225 33 33 PRO HA H 4.339 0.000 . 226 33 33 PRO HB2 H 2.340 0.000 . 227 33 33 PRO HB3 H 1.531 0.000 . 228 33 33 PRO HG2 H 1.856 0.000 . 229 33 33 PRO HG3 H 1.908 0.000 . 230 33 33 PRO HD2 H 3.761 0.000 . 231 33 33 PRO HD3 H 3.930 0.000 . 232 33 33 PRO CA C 61.514 0.000 . 233 33 33 PRO CB C 30.320 0.000 . 234 33 33 PRO CG C 24.883 0.000 . 235 33 33 PRO CD C 48.753 0.000 . 236 34 34 HIS H H 8.856 0.000 . 237 34 34 HIS HA H 4.402 0.000 . 238 34 34 HIS HB2 H 3.300 0.000 . 239 34 34 HIS HB3 H 2.905 0.000 . 240 34 34 HIS HD2 H 7.441 0.000 . 241 34 34 HIS HE1 H 8.624 0.000 . 242 34 34 HIS CA C 53.125 0.000 . 243 34 34 HIS CB C 25.760 0.000 . 244 34 34 HIS CD2 C 118.694 0.000 . 245 34 34 HIS CE1 C 134.804 0.000 . 246 34 34 HIS N N 111.187 0.000 . 247 35 35 SER H H 8.262 0.000 . 248 35 35 SER HA H 4.718 0.000 . 249 35 35 SER HB2 H 3.750 0.000 . 250 35 35 SER HB3 H 3.534 0.000 . 251 35 35 SER CB C 60.222 0.000 . 252 35 35 SER N N 118.219 0.000 . 253 36 36 THR H H 8.451 0.000 . 254 36 36 THR HA H 4.545 0.000 . 255 36 36 THR HB H 4.663 0.000 . 256 36 36 THR HG2 H 1.286 0.000 . 257 36 36 THR CA C 56.508 0.000 . 258 36 36 THR CB C 70.051 0.000 . 259 36 36 THR CG2 C 19.138 0.000 . 260 36 36 THR N N 114.157 0.000 . 261 37 37 MET H H 8.928 0.000 . 262 37 37 MET HA H 3.943 0.000 . 263 37 37 MET HB2 H 2.113 0.000 . 264 37 37 MET HB3 H 2.052 0.000 . 265 37 37 MET HG2 H 2.357 0.000 . 266 37 37 MET HG3 H 2.498 0.000 . 267 37 37 MET HE H 2.081 0.000 . 268 37 37 MET CA C 56.204 0.000 . 269 37 37 MET CB C 28.959 0.000 . 270 37 37 MET CG C 28.824 0.000 . 271 37 37 MET CE C 14.342 0.000 . 272 37 37 MET N N 119.815 0.000 . 273 38 38 ASP H H 8.096 0.000 . 274 38 38 ASP HA H 4.301 0.000 . 275 38 38 ASP HB2 H 2.479 0.000 . 276 38 38 ASP HB3 H 2.555 0.000 . 277 38 38 ASP CA C 54.750 0.000 . 278 38 38 ASP CB C 37.934 0.000 . 279 38 38 ASP N N 115.357 0.000 . 280 39 39 SER H H 8.088 0.000 . 281 39 39 SER HA H 4.253 0.000 . 282 39 39 SER HB3 H 4.278 0.000 . 283 39 39 SER C C 174.818 0.000 . 284 39 39 SER CA C 58.767 0.000 . 285 39 39 SER CB C 61.631 0.000 . 286 39 39 SER N N 118.933 0.000 . 287 40 40 ILE H H 8.009 0.000 . 288 40 40 ILE HA H 3.538 0.000 . 289 40 40 ILE HB H 1.778 0.000 . 290 40 40 ILE HG12 H 1.671 0.000 . 291 40 40 ILE HG13 H 0.687 0.000 . 292 40 40 ILE HG2 H 0.578 0.000 . 293 40 40 ILE HD1 H 0.459 0.000 . 294 40 40 ILE C C 174.358 0.000 . 295 40 40 ILE CA C 62.936 0.000 . 296 40 40 ILE CB C 35.725 0.000 . 297 40 40 ILE CG1 C 26.445 0.000 . 298 40 40 ILE CG2 C 14.223 0.000 . 299 40 40 ILE CD1 C 11.673 0.000 . 300 40 40 ILE N N 124.376 0.000 . 301 41 41 LEU H H 8.574 0.000 . 302 41 41 LEU HA H 3.818 0.000 . 303 41 41 LEU HB2 H 1.812 0.000 . 304 41 41 LEU HB3 H 1.402 0.000 . 305 41 41 LEU HG H 1.684 0.000 . 306 41 41 LEU HD1 H 0.591 0.000 . 307 41 41 LEU HD2 H 0.758 0.000 . 308 41 41 LEU C C 178.292 0.000 . 309 41 41 LEU CA C 55.496 0.000 . 310 41 41 LEU CB C 38.574 0.000 . 311 41 41 LEU CG C 24.322 0.000 . 312 41 41 LEU CD1 C 20.860 0.000 . 313 41 41 LEU CD2 C 23.020 0.000 . 314 41 41 LEU N N 117.914 0.000 . 315 42 42 GLY H H 8.207 0.000 . 316 42 42 GLY HA2 H 3.833 0.000 . 317 42 42 GLY HA3 H 3.833 0.000 . 318 42 42 GLY C C 173.318 0.000 . 319 42 42 GLY CA C 44.283 0.000 . 320 42 42 GLY N N 105.053 0.000 . 321 43 43 ALA H H 7.571 0.000 . 322 43 43 ALA HA H 4.245 0.000 . 323 43 43 ALA HB H 1.539 0.000 . 324 43 43 ALA C C 176.200 0.000 . 325 43 43 ALA CA C 51.148 0.000 . 326 43 43 ALA CB C 17.381 0.000 . 327 43 43 ALA N N 122.411 0.000 . 328 44 44 LEU H H 7.533 0.000 . 329 44 44 LEU HA H 4.514 0.000 . 330 44 44 LEU HB2 H 1.787 0.000 . 331 44 44 LEU HB3 H 1.582 0.000 . 332 44 44 LEU HG H 1.849 0.000 . 333 44 44 LEU HD1 H 0.691 0.000 . 334 44 44 LEU HD2 H 0.811 0.000 . 335 44 44 LEU C C 174.187 0.000 . 336 44 44 LEU CA C 52.247 0.000 . 337 44 44 LEU CB C 40.210 0.000 . 338 44 44 LEU CG C 24.983 0.000 . 339 44 44 LEU CD1 C 23.913 0.000 . 340 44 44 LEU CD2 C 21.489 0.000 . 341 44 44 LEU N N 113.121 0.000 . 342 45 45 ALA H H 7.398 0.000 . 343 45 45 ALA HA H 4.313 0.000 . 344 45 45 ALA HB H 1.479 0.000 . 345 45 45 ALA CA C 53.187 0.000 . 346 45 45 ALA CB C 14.134 0.000 . 347 45 45 ALA N N 123.574 0.000 . 348 46 46 PRO HA H 4.043 0.000 . 349 46 46 PRO HB2 H 1.878 0.000 . 350 46 46 PRO HB3 H 0.150 0.000 . 351 46 46 PRO HG2 H 1.469 0.000 . 352 46 46 PRO HG3 H 1.598 0.000 . 353 46 46 PRO HD2 H 3.014 0.000 . 354 46 46 PRO HD3 H 3.459 0.000 . 355 46 46 PRO CA C 61.784 0.000 . 356 46 46 PRO CB C 27.999 0.000 . 357 46 46 PRO CG C 25.187 0.000 . 358 46 46 PRO CD C 47.988 0.000 . 359 47 47 TYR H H 7.897 0.000 . 360 47 47 TYR HA H 4.527 0.000 . 361 47 47 TYR HB2 H 3.099 0.000 . 362 47 47 TYR HB3 H 2.571 0.000 . 363 47 47 TYR HD1 H 6.981 0.000 . 364 47 47 TYR HD2 H 6.981 0.000 . 365 47 47 TYR HE1 H 6.742 0.000 . 366 47 47 TYR HE2 H 6.742 0.000 . 367 47 47 TYR CA C 54.406 0.000 . 368 47 47 TYR CB C 37.537 0.000 . 369 47 47 TYR CD1 C 130.778 0.000 . 370 47 47 TYR CD2 C 130.778 0.000 . 371 47 47 TYR CE1 C 116.474 0.000 . 372 47 47 TYR CE2 C 116.474 0.000 . 373 47 47 TYR N N 114.404 0.000 . 374 48 48 ALA H H 8.083 0.000 . 375 48 48 ALA HA H 4.360 0.000 . 376 48 48 ALA HB H 1.185 0.000 . 377 48 48 ALA C C 171.938 0.000 . 378 48 48 ALA CA C 49.129 0.000 . 379 48 48 ALA CB C 19.614 0.000 . 380 48 48 ALA N N 119.845 0.000 . 381 49 49 VAL H H 8.414 0.000 . 382 49 49 VAL HA H 3.904 0.000 . 383 49 49 VAL HB H 1.937 0.000 . 384 49 49 VAL HG1 H 0.825 0.000 . 385 49 49 VAL HG2 H 0.899 0.000 . 386 49 49 VAL C C 172.490 0.000 . 387 49 49 VAL CA C 60.373 0.000 . 388 49 49 VAL CB C 28.257 0.000 . 389 49 49 VAL CG1 C 18.648 0.000 . 390 49 49 VAL CG2 C 18.471 0.000 . 391 49 49 VAL N N 122.528 0.000 . 392 50 50 LEU H H 7.904 0.000 . 393 50 50 LEU HA H 4.650 0.000 . 394 50 50 LEU HB2 H 1.289 0.000 . 395 50 50 LEU HB3 H 1.601 0.000 . 396 50 50 LEU HG H 1.360 0.000 . 397 50 50 LEU HD1 H 0.688 0.000 . 398 50 50 LEU HD2 H 0.653 0.000 . 399 50 50 LEU C C 172.488 0.000 . 400 50 50 LEU CA C 50.523 0.000 . 401 50 50 LEU CB C 42.647 0.000 . 402 50 50 LEU CG C 24.178 0.000 . 403 50 50 LEU CD1 C 21.546 0.000 . 404 50 50 LEU CD2 C 24.459 0.000 . 405 50 50 LEU N N 127.924 0.000 . 406 51 51 SER H H 8.623 0.000 . 407 51 51 SER HA H 4.783 0.000 . 408 51 51 SER HB2 H 4.048 0.000 . 409 51 51 SER HB3 H 3.817 0.000 . 410 51 51 SER C C 172.827 0.000 . 411 51 51 SER CA C 53.708 0.000 . 412 51 51 SER CB C 63.424 0.000 . 413 51 51 SER N N 114.999 0.000 . 414 52 52 SER H H 9.117 0.000 . 415 52 52 SER HA H 4.301 0.000 . 416 52 52 SER HB2 H 3.895 0.000 . 417 52 52 SER HB3 H 4.040 0.000 . 418 52 52 SER C C 173.242 0.000 . 419 52 52 SER CA C 58.709 0.000 . 420 52 52 SER CB C 59.826 0.000 . 421 52 52 SER N N 118.355 0.000 . 422 53 53 SER H H 8.014 0.000 . 423 53 53 SER HA H 4.292 0.000 . 424 53 53 SER HB2 H 3.821 0.000 . 425 53 53 SER HB3 H 3.775 0.000 . 426 53 53 SER CA C 57.882 0.000 . 427 53 53 SER CB C 60.220 0.000 . 428 53 53 SER N N 114.926 0.000 . 429 54 54 ASN H H 7.996 0.000 . 430 54 54 ASN HA H 4.914 0.000 . 431 54 54 ASN HB2 H 3.240 0.000 . 432 54 54 ASN HB3 H 2.775 0.000 . 433 54 54 ASN HD21 H 7.116 0.000 . 434 54 54 ASN HD22 H 7.837 0.000 . 435 54 54 ASN C C 170.744 0.000 . 436 54 54 ASN CA C 52.054 0.000 . 437 54 54 ASN CB C 38.952 0.000 . 438 54 54 ASN N N 116.432 0.000 . 439 54 54 ASN ND2 N 109.967 0.000 . 440 55 55 VAL H H 7.421 0.000 . 441 55 55 VAL HA H 4.891 0.000 . 442 55 55 VAL HB H 1.933 0.000 . 443 55 55 VAL HG1 H 0.821 0.000 . 444 55 55 VAL HG2 H 0.690 0.000 . 445 55 55 VAL C C 171.238 0.000 . 446 55 55 VAL CA C 58.709 0.000 . 447 55 55 VAL CB C 31.652 0.000 . 448 55 55 VAL CG1 C 19.285 0.000 . 449 55 55 VAL CG2 C 18.771 0.000 . 450 55 55 VAL N N 118.877 0.000 . 451 56 56 ARG H H 9.011 0.000 . 452 56 56 ARG HA H 4.708 0.000 . 453 56 56 ARG HB2 H 1.775 0.000 . 454 56 56 ARG HG2 H 1.586 0.000 . 455 56 56 ARG HG3 H 1.499 0.000 . 456 56 56 ARG HD2 H 3.151 0.000 . 457 56 56 ARG HD3 H 3.151 0.000 . 458 56 56 ARG C C 172.321 0.000 . 459 56 56 ARG CA C 51.878 0.000 . 460 56 56 ARG CB C 30.211 0.000 . 461 56 56 ARG CG C 24.613 0.000 . 462 56 56 ARG CD C 40.982 0.000 . 463 56 56 ARG N N 125.757 0.000 . 464 57 57 VAL H H 8.794 0.000 . 465 57 57 VAL HA H 3.878 0.000 . 466 57 57 VAL HB H 1.845 0.000 . 467 57 57 VAL HG1 H 0.596 0.000 . 468 57 57 VAL HG2 H 0.630 0.000 . 469 57 57 VAL C C 172.129 0.000 . 470 57 57 VAL CA C 59.043 0.000 . 471 57 57 VAL CB C 30.019 0.000 . 472 57 57 VAL CG1 C 18.762 0.000 . 473 57 57 VAL CG2 C 18.910 0.000 . 474 57 57 VAL N N 125.646 0.000 . 475 58 58 ILE H H 7.259 0.000 . 476 58 58 ILE HA H 4.049 0.000 . 477 58 58 ILE HB H 1.248 0.000 . 478 58 58 ILE HG13 H 1.464 0.000 . 479 58 58 ILE HG2 H 0.709 0.000 . 480 58 58 ILE HD1 H 0.648 0.000 . 481 58 58 ILE C C 172.672 0.000 . 482 58 58 ILE CA C 57.246 0.000 . 483 58 58 ILE CB C 32.839 0.000 . 484 58 58 ILE CG1 C 25.311 0.000 . 485 58 58 ILE CG2 C 15.110 0.000 . 486 58 58 ILE CD1 C 7.610 0.000 . 487 58 58 ILE N N 127.547 0.000 . 488 59 59 LYS H H 8.571 0.000 . 489 59 59 LYS HA H 4.532 0.000 . 490 59 59 LYS HB2 H 1.417 0.000 . 491 59 59 LYS HB3 H 1.502 0.000 . 492 59 59 LYS HG2 H 1.203 0.000 . 493 59 59 LYS HG3 H 1.110 0.000 . 494 59 59 LYS HE3 H 2.858 0.000 . 495 59 59 LYS C C 173.119 0.000 . 496 59 59 LYS CA C 52.444 0.000 . 497 59 59 LYS CB C 32.374 0.000 . 498 59 59 LYS CG C 21.682 0.000 . 499 59 59 LYS CE C 39.431 0.000 . 500 59 59 LYS N N 127.231 0.000 . 501 60 60 ASP H H 8.527 0.000 . 502 60 60 ASP HA H 4.496 0.000 . 503 60 60 ASP HB2 H 2.930 0.000 . 504 60 60 ASP HB3 H 2.196 0.000 . 505 60 60 ASP C C 174.118 0.000 . 506 60 60 ASP CA C 50.786 0.000 . 507 60 60 ASP CB C 40.058 0.000 . 508 60 60 ASP N N 123.232 0.000 . 509 61 61 LYS H H 8.770 0.000 . 510 61 61 LYS HA H 3.918 0.000 . 511 61 61 LYS HB2 H 1.802 0.000 . 512 61 61 LYS HG2 H 1.403 0.000 . 513 61 61 LYS HG3 H 1.443 0.000 . 514 61 61 LYS HD2 H 1.648 0.000 . 515 61 61 LYS HE2 H 2.962 0.000 . 516 61 61 LYS HE3 H 2.962 0.000 . 517 61 61 LYS C C 174.696 0.000 . 518 61 61 LYS CA C 56.017 0.000 . 519 61 61 LYS CB C 29.813 0.000 . 520 61 61 LYS CG C 22.446 0.000 . 521 61 61 LYS CD C 26.616 0.000 . 522 61 61 LYS CE C 39.385 0.000 . 523 61 61 LYS N N 125.977 0.000 . 524 62 62 GLN H H 8.538 0.000 . 525 62 62 GLN HA H 4.252 0.000 . 526 62 62 GLN HB2 H 2.129 0.000 . 527 62 62 GLN HG2 H 2.298 0.000 . 528 62 62 GLN HG3 H 2.341 0.000 . 529 62 62 GLN HE21 H 7.478 0.000 . 530 62 62 GLN HE22 H 6.815 0.000 . 531 62 62 GLN C C 174.793 0.000 . 532 62 62 GLN CA C 55.001 0.000 . 533 62 62 GLN CB C 26.516 0.000 . 534 62 62 GLN CG C 31.775 0.000 . 535 62 62 GLN N N 116.732 0.000 . 536 62 62 GLN NE2 N 112.347 0.000 . 537 63 63 THR H H 7.882 0.000 . 538 63 63 THR HA H 4.265 0.000 . 539 63 63 THR HB H 4.212 0.000 . 540 63 63 THR HG2 H 1.128 0.000 . 541 63 63 THR CA C 59.302 0.000 . 542 63 63 THR CB C 67.891 0.000 . 543 63 63 THR CG2 C 18.577 0.000 . 544 63 63 THR N N 108.519 0.000 . 545 64 64 GLN H H 8.188 0.000 . 546 64 64 GLN HA H 3.829 0.000 . 547 64 64 GLN HB2 H 2.228 0.000 . 548 64 64 GLN HB3 H 2.300 0.000 . 549 64 64 GLN HG2 H 2.156 0.000 . 550 64 64 GLN HG3 H 2.285 0.000 . 551 64 64 GLN HE21 H 7.424 0.000 . 552 64 64 GLN HE22 H 6.815 0.000 . 553 64 64 GLN C C 172.129 0.000 . 554 64 64 GLN CA C 54.560 0.000 . 555 64 64 GLN CB C 23.812 0.000 . 556 64 64 GLN CG C 31.281 0.000 . 557 64 64 GLN N N 113.890 0.000 . 558 64 64 GLN NE2 N 113.577 0.000 . 559 65 65 LEU H H 7.682 0.000 . 560 65 65 LEU HA H 4.463 0.000 . 561 65 65 LEU HB2 H 1.306 0.000 . 562 65 65 LEU HB3 H 1.482 0.000 . 563 65 65 LEU HG H 1.416 0.000 . 564 65 65 LEU HD1 H 0.396 0.000 . 565 65 65 LEU HD2 H 0.650 0.000 . 566 65 65 LEU C C 174.174 0.000 . 567 65 65 LEU CA C 51.024 0.000 . 568 65 65 LEU CB C 39.608 0.000 . 569 65 65 LEU CG C 23.908 0.000 . 570 65 65 LEU CD1 C 19.537 0.000 . 571 65 65 LEU CD2 C 22.482 0.000 . 572 65 65 LEU N N 119.516 0.000 . 573 66 66 ASN H H 8.771 0.000 . 574 66 66 ASN HA H 4.958 0.000 . 575 66 66 ASN HB2 H 2.710 0.000 . 576 66 66 ASN HB3 H 2.499 0.000 . 577 66 66 ASN HD21 H 7.201 0.000 . 578 66 66 ASN HD22 H 7.101 0.000 . 579 66 66 ASN C C 171.913 0.000 . 580 66 66 ASN CA C 50.440 0.000 . 581 66 66 ASN CB C 36.771 0.000 . 582 66 66 ASN N N 117.776 0.000 . 583 66 66 ASN ND2 N 114.828 0.000 . 584 67 67 ARG H H 8.313 0.000 . 585 67 67 ARG HA H 4.193 0.000 . 586 67 67 ARG HB2 H 2.053 0.000 . 587 67 67 ARG HG2 H 1.466 0.000 . 588 67 67 ARG HG3 H 1.466 0.000 . 589 67 67 ARG HD2 H 3.097 0.000 . 590 67 67 ARG HD3 H 2.992 0.000 . 591 67 67 ARG CA C 53.615 0.000 . 592 67 67 ARG CB C 28.137 0.000 . 593 67 67 ARG CG C 25.402 0.000 . 594 67 67 ARG CD C 40.890 0.000 . 595 67 67 ARG N N 117.508 0.000 . 596 68 68 GLY H H 9.437 0.000 . 597 68 68 GLY HA2 H 4.421 0.000 . 598 68 68 GLY HA3 H 3.563 0.000 . 599 68 68 GLY CA C 42.842 0.000 . 600 68 68 GLY N N 107.904 0.000 . 601 69 69 PHE H H 6.750 0.000 . 602 69 69 PHE HA H 5.754 0.000 . 603 69 69 PHE HB2 H 2.653 0.000 . 604 69 69 PHE HB3 H 2.989 0.000 . 605 69 69 PHE HD2 H 6.642 0.000 . 606 69 69 PHE HE1 H 7.204 0.000 . 607 69 69 PHE HE2 H 7.204 0.000 . 608 69 69 PHE C C 170.151 0.000 . 609 69 69 PHE CA C 51.625 0.000 . 610 69 69 PHE CB C 39.587 0.000 . 611 69 69 PHE CD2 C 130.357 0.000 . 612 69 69 PHE CE1 C 129.717 0.000 . 613 69 69 PHE N N 113.804 0.000 . 614 70 70 ALA H H 8.526 0.000 . 615 70 70 ALA HA H 4.807 0.000 . 616 70 70 ALA HB H 1.057 0.000 . 617 70 70 ALA C C 171.693 0.000 . 618 70 70 ALA CA C 47.155 0.000 . 619 70 70 ALA CB C 21.153 0.000 . 620 70 70 ALA N N 118.965 0.000 . 621 71 71 PHE H H 8.824 0.000 . 622 71 71 PHE HA H 5.537 0.000 . 623 71 71 PHE HB2 H 2.841 0.000 . 624 71 71 PHE HB3 H 2.929 0.000 . 625 71 71 PHE HD1 H 7.086 0.000 . 626 71 71 PHE HD2 H 7.086 0.000 . 627 71 71 PHE HE1 H 7.272 0.000 . 628 71 71 PHE HE2 H 7.272 0.000 . 629 71 71 PHE HZ H 7.268 0.000 . 630 71 71 PHE C C 172.630 0.000 . 631 71 71 PHE CA C 52.609 0.000 . 632 71 71 PHE CB C 39.675 0.000 . 633 71 71 PHE CD1 C 129.427 0.000 . 634 71 71 PHE CD2 C 129.427 0.000 . 635 71 71 PHE CE1 C 129.456 0.000 . 636 71 71 PHE CE2 C 129.456 0.000 . 637 71 71 PHE CZ C 127.870 0.000 . 638 71 71 PHE N N 117.469 0.000 . 639 72 72 ILE H H 9.555 0.000 . 640 72 72 ILE HA H 5.022 0.000 . 641 72 72 ILE HB H 1.825 0.000 . 642 72 72 ILE HG12 H 1.325 0.000 . 643 72 72 ILE HG13 H 0.998 0.000 . 644 72 72 ILE HG2 H 0.683 0.000 . 645 72 72 ILE HD1 H 0.594 0.000 . 646 72 72 ILE CA C 56.881 0.000 . 647 72 72 ILE CB C 37.031 0.000 . 648 72 72 ILE CG1 C 24.449 0.000 . 649 72 72 ILE CG2 C 15.118 0.000 . 650 72 72 ILE CD1 C 11.138 0.000 . 651 72 72 ILE N N 122.867 0.000 . 652 73 73 GLN H H 8.964 0.000 . 653 73 73 GLN HA H 5.170 0.000 . 654 73 73 GLN HB2 H 1.855 0.000 . 655 73 73 GLN HB3 H 1.960 0.000 . 656 73 73 GLN HG2 H 2.163 0.000 . 657 73 73 GLN HG3 H 2.163 0.000 . 658 73 73 GLN HE21 H 6.671 0.000 . 659 73 73 GLN HE22 H 7.372 0.000 . 660 73 73 GLN CA C 52.252 0.000 . 661 73 73 GLN CB C 28.291 0.000 . 662 73 73 GLN CG C 31.546 0.000 . 663 73 73 GLN N N 128.422 0.000 . 664 73 73 GLN NE2 N 111.624 0.000 . 665 74 74 LEU H H 8.420 0.000 . 666 74 74 LEU HA H 4.789 0.000 . 667 74 74 LEU HB2 H 1.441 0.000 . 668 74 74 LEU HB3 H 1.753 0.000 . 669 74 74 LEU HD1 H 0.851 0.000 . 670 74 74 LEU HD2 H 0.649 0.000 . 671 74 74 LEU CA C 50.617 0.000 . 672 74 74 LEU CB C 44.885 0.000 . 673 74 74 LEU CG C 27.759 0.000 . 674 74 74 LEU CD1 C 21.051 0.000 . 675 74 74 LEU CD2 C 24.361 0.000 . 676 74 74 LEU N N 126.707 0.000 . 677 75 75 SER HA H 4.284 0.000 . 678 75 75 SER HB2 H 3.673 0.000 . 679 75 75 SER CA C 55.390 0.000 . 680 75 75 SER CB C 61.275 0.000 . 681 76 76 THR H H 8.614 0.000 . 682 76 76 THR HA H 3.994 0.000 . 683 76 76 THR HB H 4.087 0.000 . 684 76 76 THR HG2 H 1.222 0.000 . 685 76 76 THR C C 174.630 0.000 . 686 76 76 THR CA C 64.225 0.000 . 687 76 76 THR CB C 66.003 0.000 . 688 76 76 THR CG2 C 19.449 0.000 . 689 76 76 THR N N 116.193 0.000 . 690 77 77 ILE H H 8.044 0.000 . 691 77 77 ILE HA H 3.911 0.000 . 692 77 77 ILE HB H 1.760 0.000 . 693 77 77 ILE HG12 H 1.537 0.000 . 694 77 77 ILE HG13 H 1.199 0.000 . 695 77 77 ILE HG2 H 0.861 0.000 . 696 77 77 ILE HD1 H 0.841 0.000 . 697 77 77 ILE C C 175.577 0.000 . 698 77 77 ILE CA C 61.264 0.000 . 699 77 77 ILE CB C 35.379 0.000 . 700 77 77 ILE CG1 C 26.252 0.000 . 701 77 77 ILE CG2 C 14.603 0.000 . 702 77 77 ILE CD1 C 10.135 0.000 . 703 77 77 ILE N N 120.400 0.000 . 704 78 78 GLU H H 7.548 0.000 . 705 78 78 GLU HA H 4.062 0.000 . 706 78 78 GLU HB2 H 2.113 0.000 . 707 78 78 GLU HB3 H 1.998 0.000 . 708 78 78 GLU HG2 H 2.308 0.000 . 709 78 78 GLU C C 176.596 0.000 . 710 78 78 GLU CA C 56.355 0.000 . 711 78 78 GLU CB C 27.668 0.000 . 712 78 78 GLU CG C 34.113 0.000 . 713 78 78 GLU N N 120.562 0.000 . 714 79 79 ALA H H 9.279 0.000 . 715 79 79 ALA HA H 3.923 0.000 . 716 79 79 ALA HB H 1.496 0.000 . 717 79 79 ALA C C 175.736 0.000 . 718 79 79 ALA CA C 52.649 0.000 . 719 79 79 ALA CB C 15.305 0.000 . 720 79 79 ALA N N 122.789 0.000 . 721 80 80 ALA H H 7.688 0.000 . 722 80 80 ALA HA H 4.001 0.000 . 723 80 80 ALA HB H 1.523 0.000 . 724 80 80 ALA C C 177.943 0.000 . 725 80 80 ALA CA C 52.521 0.000 . 726 80 80 ALA CB C 15.281 0.000 . 727 80 80 ALA N N 118.643 0.000 . 728 81 81 GLN H H 7.593 0.000 . 729 81 81 GLN HA H 4.015 0.000 . 730 81 81 GLN HB2 H 2.148 0.000 . 731 81 81 GLN HB3 H 2.048 0.000 . 732 81 81 GLN HG2 H 2.354 0.000 . 733 81 81 GLN HG3 H 2.512 0.000 . 734 81 81 GLN HE21 H 6.785 0.000 . 735 81 81 GLN HE22 H 7.355 0.000 . 736 81 81 GLN CA C 55.760 0.000 . 737 81 81 GLN CB C 25.786 0.000 . 738 81 81 GLN CG C 31.390 0.000 . 739 81 81 GLN N N 116.877 0.000 . 740 81 81 GLN NE2 N 111.096 0.000 . 741 82 82 LEU H H 8.258 0.000 . 742 82 82 LEU HA H 4.121 0.000 . 743 82 82 LEU HB2 H 1.713 0.000 . 744 82 82 LEU HB3 H 1.509 0.000 . 745 82 82 LEU HD1 H 0.730 0.000 . 746 82 82 LEU HD2 H 0.865 0.000 . 747 82 82 LEU C C 175.358 0.000 . 748 82 82 LEU CA C 54.781 0.000 . 749 82 82 LEU CB C 38.240 0.000 . 750 82 82 LEU CG C 24.560 0.000 . 751 82 82 LEU CD1 C 23.611 0.000 . 752 82 82 LEU CD2 C 20.605 0.000 . 753 82 82 LEU N N 119.946 0.000 . 754 83 83 LEU H H 8.407 0.000 . 755 83 83 LEU HA H 3.585 0.000 . 756 83 83 LEU HB2 H 1.543 0.000 . 757 83 83 LEU HB3 H 1.259 0.000 . 758 83 83 LEU HG H 1.179 0.000 . 759 83 83 LEU HD1 H 0.299 0.000 . 760 83 83 LEU HD2 H 0.389 0.000 . 761 83 83 LEU C C 175.365 0.000 . 762 83 83 LEU CA C 56.142 0.000 . 763 83 83 LEU CB C 38.875 0.000 . 764 83 83 LEU CG C 23.914 0.000 . 765 83 83 LEU CD1 C 22.266 0.000 . 766 83 83 LEU CD2 C 21.769 0.000 . 767 83 83 LEU N N 119.288 0.000 . 768 84 84 GLN H H 7.347 0.000 . 769 84 84 GLN HA H 3.878 0.000 . 770 84 84 GLN HB2 H 2.097 0.000 . 771 84 84 GLN HB3 H 2.097 0.000 . 772 84 84 GLN HG2 H 2.441 0.000 . 773 84 84 GLN HG3 H 2.441 0.000 . 774 84 84 GLN HE21 H 7.304 0.000 . 775 84 84 GLN HE22 H 6.752 0.000 . 776 84 84 GLN C C 176.472 0.000 . 777 84 84 GLN CA C 56.142 0.000 . 778 84 84 GLN CB C 25.733 0.000 . 779 84 84 GLN CG C 31.426 0.000 . 780 84 84 GLN N N 115.391 0.000 . 781 84 84 GLN NE2 N 111.315 0.000 . 782 85 85 ILE H H 7.650 0.000 . 783 85 85 ILE HA H 3.607 0.000 . 784 85 85 ILE HB H 1.899 0.000 . 785 85 85 ILE HG12 H 1.748 0.000 . 786 85 85 ILE HG13 H 1.122 0.000 . 787 85 85 ILE HG2 H 0.745 0.000 . 788 85 85 ILE HD1 H 0.918 0.000 . 789 85 85 ILE CA C 61.779 0.000 . 790 85 85 ILE CB C 35.948 0.000 . 791 85 85 ILE CG1 C 26.537 0.000 . 792 85 85 ILE CG2 C 14.544 0.000 . 793 85 85 ILE CD1 C 10.961 0.000 . 794 85 85 ILE N N 119.593 0.000 . 795 86 86 LEU H H 8.410 0.000 . 796 86 86 LEU HA H 3.757 0.000 . 797 86 86 LEU HB2 H 1.742 0.000 . 798 86 86 LEU HB3 H 1.158 0.000 . 799 86 86 LEU HG H 1.882 0.000 . 800 86 86 LEU HD1 H 0.581 0.000 . 801 86 86 LEU HD2 H 0.423 0.000 . 802 86 86 LEU C C 177.610 0.000 . 803 86 86 LEU CA C 54.521 0.000 . 804 86 86 LEU CB C 39.226 0.000 . 805 86 86 LEU CG C 23.381 0.000 . 806 86 86 LEU CD1 C 23.095 0.000 . 807 86 86 LEU CD2 C 19.684 0.000 . 808 86 86 LEU N N 116.537 0.000 . 809 87 87 GLN H H 8.406 0.000 . 810 87 87 GLN HA H 4.009 0.000 . 811 87 87 GLN HB2 H 1.958 0.000 . 812 87 87 GLN HB3 H 2.017 0.000 . 813 87 87 GLN HG2 H 2.265 0.000 . 814 87 87 GLN HG3 H 2.525 0.000 . 815 87 87 GLN HE21 H 7.194 0.000 . 816 87 87 GLN HE22 H 6.748 0.000 . 817 87 87 GLN C C 174.156 0.000 . 818 87 87 GLN CA C 55.735 0.000 . 819 87 87 GLN CB C 25.516 0.000 . 820 87 87 GLN CG C 32.112 0.000 . 821 87 87 GLN N N 115.959 0.000 . 822 87 87 GLN NE2 N 110.439 0.000 . 823 88 88 ALA H H 7.110 0.000 . 824 88 88 ALA HA H 4.338 0.000 . 825 88 88 ALA HB H 1.400 0.000 . 826 88 88 ALA C C 174.373 0.000 . 827 88 88 ALA CA C 48.933 0.000 . 828 88 88 ALA CB C 16.681 0.000 . 829 88 88 ALA N N 120.044 0.000 . 830 89 89 LEU H H 6.693 0.000 . 831 89 89 LEU HA H 3.929 0.000 . 832 89 89 LEU HB2 H 1.477 0.000 . 833 89 89 LEU HB3 H 1.559 0.000 . 834 89 89 LEU HG H 1.861 0.000 . 835 89 89 LEU HD1 H 0.621 0.000 . 836 89 89 LEU HD2 H 0.530 0.000 . 837 89 89 LEU C C 175.387 0.000 . 838 89 89 LEU CA C 53.364 0.000 . 839 89 89 LEU CB C 39.775 0.000 . 840 89 89 LEU CG C 23.055 0.000 . 841 89 89 LEU CD1 C 19.754 0.000 . 842 89 89 LEU CD2 C 22.945 0.000 . 843 89 89 LEU N N 119.696 0.000 . 844 90 90 HIS H H 8.299 0.000 . 845 90 90 HIS HA H 4.419 0.000 . 846 90 90 HIS HB2 H 3.023 0.000 . 847 90 90 HIS HB3 H 3.023 0.000 . 848 90 90 HIS HD2 H 7.223 0.000 . 849 90 90 HIS HE1 H 8.497 0.000 . 850 90 90 HIS CA C 50.226 0.000 . 851 90 90 HIS CB C 27.853 0.000 . 852 90 90 HIS CD2 C 118.406 0.000 . 853 90 90 HIS CE1 C 134.222 0.000 . 854 90 90 HIS N N 120.136 0.000 . 855 90 90 HIS ND1 N 210.150 0.000 . 856 91 91 PRO HA H 4.367 0.000 . 857 91 91 PRO HB2 H 2.211 0.000 . 858 91 91 PRO HB3 H 1.857 0.000 . 859 91 91 PRO HG2 H 1.958 0.000 . 860 91 91 PRO HG3 H 1.958 0.000 . 861 91 91 PRO HD2 H 3.735 0.000 . 862 91 91 PRO HD3 H 3.620 0.000 . 863 91 91 PRO CA C 60.550 0.000 . 864 91 91 PRO CB C 29.416 0.000 . 865 91 91 PRO CG C 24.940 0.000 . 866 91 91 PRO CD C 47.867 0.000 . 867 92 92 PRO HA H 4.815 0.000 . 868 92 92 PRO HB2 H 2.403 0.000 . 869 92 92 PRO HB3 H 2.031 0.000 . 870 92 92 PRO HG2 H 1.832 0.000 . 871 92 92 PRO HG3 H 1.832 0.000 . 872 92 92 PRO HD2 H 3.706 0.000 . 873 92 92 PRO HD3 H 3.451 0.000 . 874 92 92 PRO CA C 59.812 0.000 . 875 92 92 PRO CB C 30.119 0.000 . 876 92 92 PRO CG C 22.762 0.000 . 877 92 92 PRO CD C 47.439 0.000 . 878 93 93 LEU H H 8.404 0.000 . 879 93 93 LEU HA H 3.954 0.000 . 880 93 93 LEU HB2 H 1.206 0.000 . 881 93 93 LEU HB3 H 1.676 0.000 . 882 93 93 LEU HG H 1.223 0.000 . 883 93 93 LEU HD1 H 0.822 0.000 . 884 93 93 LEU HD2 H 0.642 0.000 . 885 93 93 LEU CA C 53.500 0.000 . 886 93 93 LEU CB C 39.889 0.000 . 887 93 93 LEU CG C 24.410 0.000 . 888 93 93 LEU CD1 C 20.267 0.000 . 889 93 93 LEU CD2 C 24.363 0.000 . 890 93 93 LEU N N 121.469 0.000 . 891 94 94 THR HA H 5.276 0.000 . 892 94 94 THR HB H 3.724 0.000 . 893 94 94 THR HG2 H 0.909 0.000 . 894 94 94 THR CA C 57.077 0.000 . 895 94 94 THR CB C 69.076 0.000 . 896 94 94 THR CG2 C 17.809 0.000 . 897 95 95 ILE H H 8.317 0.000 . 898 95 95 ILE HA H 4.184 0.000 . 899 95 95 ILE HB H 1.602 0.000 . 900 95 95 ILE HG13 H 1.323 0.000 . 901 95 95 ILE HG2 H 0.598 0.000 . 902 95 95 ILE HD1 H 0.623 0.000 . 903 95 95 ILE CA C 58.054 0.000 . 904 95 95 ILE CB C 37.534 0.000 . 905 95 95 ILE CG1 C 23.879 0.000 . 906 95 95 ILE CG2 C 14.014 0.000 . 907 95 95 ILE CD1 C 11.280 0.000 . 908 95 95 ILE N N 121.239 0.000 . 909 96 96 ASP H H 9.837 0.000 . 910 96 96 ASP HA H 4.292 0.000 . 911 96 96 ASP HB2 H 2.431 0.000 . 912 96 96 ASP HB3 H 2.804 0.000 . 913 96 96 ASP CA C 53.001 0.000 . 914 96 96 ASP CB C 37.114 0.000 . 915 96 96 ASP N N 130.909 0.000 . 916 97 97 GLY H H 8.638 0.000 . 917 97 97 GLY HA2 H 3.528 0.000 . 918 97 97 GLY HA3 H 4.057 0.000 . 919 97 97 GLY C C 170.992 0.000 . 920 97 97 GLY CA C 42.754 0.000 . 921 97 97 GLY N N 102.578 0.000 . 922 98 98 LYS H H 7.440 0.000 . 923 98 98 LYS HA H 4.629 0.000 . 924 98 98 LYS HB2 H 1.952 0.000 . 925 98 98 LYS HB3 H 1.732 0.000 . 926 98 98 LYS HG3 H 1.399 0.000 . 927 98 98 LYS HD3 H 1.656 0.000 . 928 98 98 LYS HE2 H 2.946 0.000 . 929 98 98 LYS HE3 H 2.946 0.000 . 930 98 98 LYS C C 172.675 0.000 . 931 98 98 LYS CA C 50.304 0.000 . 932 98 98 LYS CB C 31.136 0.000 . 933 98 98 LYS CG C 21.010 0.000 . 934 98 98 LYS CD C 24.774 0.000 . 935 98 98 LYS CE C 39.321 0.000 . 936 98 98 LYS N N 120.330 0.000 . 937 99 99 THR H H 8.626 0.000 . 938 99 99 THR HA H 4.356 0.000 . 939 99 99 THR HB H 3.895 0.000 . 940 99 99 THR HG2 H 1.082 0.000 . 941 99 99 THR C C 171.511 0.000 . 942 99 99 THR CA C 60.382 0.000 . 943 99 99 THR CB C 65.967 0.000 . 944 99 99 THR CG2 C 19.688 0.000 . 945 99 99 THR N N 119.612 0.000 . 946 100 100 ILE H H 8.463 0.000 . 947 100 100 ILE HA H 4.358 0.000 . 948 100 100 ILE HB H 1.796 0.000 . 949 100 100 ILE HG12 H 1.678 0.000 . 950 100 100 ILE HG2 H 0.831 0.000 . 951 100 100 ILE HD1 H 0.503 0.000 . 952 100 100 ILE C C 172.710 0.000 . 953 100 100 ILE CA C 55.202 0.000 . 954 100 100 ILE CB C 34.925 0.000 . 955 100 100 ILE CG1 C 24.866 0.000 . 956 100 100 ILE CG2 C 16.734 0.000 . 957 100 100 ILE CD1 C 8.089 0.000 . 958 100 100 ILE N N 129.389 0.000 . 959 101 101 ASN H H 7.878 0.000 . 960 101 101 ASN HA H 4.904 0.000 . 961 101 101 ASN HB2 H 2.607 0.000 . 962 101 101 ASN HB3 H 2.439 0.000 . 963 101 101 ASN HD21 H 7.561 0.000 . 964 101 101 ASN HD22 H 6.861 0.000 . 965 101 101 ASN C C 170.860 0.000 . 966 101 101 ASN CA C 49.884 0.000 . 967 101 101 ASN CB C 38.364 0.000 . 968 101 101 ASN N N 123.767 0.000 . 969 101 101 ASN ND2 N 112.018 0.000 . 970 102 102 VAL H H 8.503 0.000 . 971 102 102 VAL HA H 4.933 0.000 . 972 102 102 VAL HB H 1.790 0.000 . 973 102 102 VAL HG1 H 0.723 0.000 . 974 102 102 VAL HG2 H 0.704 0.000 . 975 102 102 VAL C C 175.222 0.000 . 976 102 102 VAL CA C 57.981 0.000 . 977 102 102 VAL CB C 31.183 0.000 . 978 102 102 VAL CG1 C 18.319 0.000 . 979 102 102 VAL CG2 C 19.474 0.000 . 980 102 102 VAL N N 122.207 0.000 . 981 103 103 GLU H H 8.627 0.000 . 982 103 103 GLU HA H 4.557 0.000 . 983 103 103 GLU HB2 H 1.773 0.000 . 984 103 103 GLU HB3 H 2.068 0.000 . 985 103 103 GLU HG2 H 2.141 0.000 . 986 103 103 GLU HG3 H 2.074 0.000 . 987 103 103 GLU CA C 51.772 0.000 . 988 103 103 GLU CB C 31.226 0.000 . 989 103 103 GLU CG C 33.024 0.000 . 990 103 103 GLU N N 124.079 0.000 . 991 104 104 PHE H H 8.778 0.000 . 992 104 104 PHE HA H 5.047 0.000 . 993 104 104 PHE HB2 H 3.032 0.000 . 994 104 104 PHE HB3 H 2.842 0.000 . 995 104 104 PHE HD1 H 7.139 0.000 . 996 104 104 PHE HD2 H 7.139 0.000 . 997 104 104 PHE HE1 H 7.182 0.000 . 998 104 104 PHE HE2 H 7.182 0.000 . 999 104 104 PHE C C 173.023 0.000 . 1000 104 104 PHE CA C 55.305 0.000 . 1001 104 104 PHE CB C 38.342 0.000 . 1002 104 104 PHE CD1 C 129.656 0.000 . 1003 104 104 PHE CD2 C 129.656 0.000 . 1004 104 104 PHE CE1 C 127.931 0.000 . 1005 104 104 PHE CE2 C 127.931 0.000 . 1006 104 104 PHE N N 121.287 0.000 . 1007 105 105 ALA H H 8.630 0.000 . 1008 105 105 ALA HA H 4.278 0.000 . 1009 105 105 ALA HB H 1.184 0.000 . 1010 105 105 ALA C C 172.939 0.000 . 1011 105 105 ALA CA C 48.936 0.000 . 1012 105 105 ALA CB C 17.822 0.000 . 1013 105 105 ALA N N 127.703 0.000 . 1014 106 106 LYS H H 8.289 0.000 . 1015 106 106 LYS HA H 4.211 0.000 . 1016 106 106 LYS HB2 H 1.655 0.000 . 1017 106 106 LYS HB3 H 1.737 0.000 . 1018 106 106 LYS HG3 H 1.418 0.000 . 1019 106 106 LYS HD2 H 1.655 0.000 . 1020 106 106 LYS HD3 H 1.655 0.000 . 1021 106 106 LYS HE2 H 2.962 0.000 . 1022 106 106 LYS HE3 H 2.962 0.000 . 1023 106 106 LYS C C 174.939 0.000 . 1024 106 106 LYS CA C 52.995 0.000 . 1025 106 106 LYS CB C 30.290 0.000 . 1026 106 106 LYS CG C 22.075 0.000 . 1027 106 106 LYS CD C 26.186 0.000 . 1028 106 106 LYS CE C 39.378 0.000 . 1029 106 106 LYS N N 121.259 0.000 . 1030 107 107 GLY H H 8.921 0.000 . 1031 107 107 GLY HA2 H 3.935 0.000 . 1032 107 107 GLY HA3 H 3.935 0.000 . 1033 107 107 GLY C C 171.215 0.000 . 1034 107 107 GLY CA C 42.651 0.000 . 1035 107 107 GLY N N 111.965 0.000 . 1036 108 108 SER H H 8.197 0.000 . 1037 108 108 SER HA H 4.294 0.000 . 1038 108 108 SER HB2 H 3.910 0.000 . 1039 108 108 SER HB3 H 3.910 0.000 . 1040 108 108 SER C C 172.040 0.000 . 1041 108 108 SER CA C 55.336 0.000 . 1042 108 108 SER N N 114.479 0.000 . 1043 109 109 LYS H H 8.306 0.000 . 1044 109 109 LYS HA H 4.198 0.000 . 1045 109 109 LYS HB2 H 1.550 0.000 . 1046 109 109 LYS HB3 H 1.655 0.000 . 1047 109 109 LYS C C 173.967 0.000 . 1048 109 109 LYS CA C 53.730 0.000 . 1049 109 109 LYS CB C 30.137 0.000 . 1050 109 109 LYS CD C 25.379 0.000 . 1051 109 109 LYS CE C 40.689 0.000 . 1052 109 109 LYS N N 123.374 0.000 . 1053 110 110 ARG HA H 4.542 0.000 . 1054 110 110 ARG HB2 H 2.263 0.000 . 1055 110 110 ARG HH21 H 4.845 0.000 . 1056 110 110 ARG HH22 H 8.389 0.000 . 1057 110 110 ARG C C 173.119 0.000 . 1058 110 110 ARG CA C 52.474 0.000 . 1059 110 110 ARG CB C 32.296 0.000 . 1060 110 110 ARG N N 134.189 0.000 . 1061 110 110 ARG NH2 N 70.010 0.000 . 1062 111 111 ASP H H 8.523 0.000 . 1063 111 111 ASP HA H 4.519 0.000 . 1064 111 111 ASP HB2 H 4.202 0.000 . 1065 111 111 ASP C C 174.187 0.000 . 1066 111 111 ASP CA C 52.307 0.000 . 1067 111 111 ASP CB C 40.206 0.000 . 1068 111 111 ASP N N 123.210 0.000 . 1069 112 112 MET HA H 4.330 0.000 . 1070 112 112 MET HG2 H 2.069 0.000 . 1071 112 112 MET HG3 H 2.069 0.000 . 1072 112 112 MET HE H 1.920 0.000 . 1073 112 112 MET CA C 53.074 0.000 . 1074 112 112 MET CB C 30.057 0.000 . 1075 112 112 MET CE C 14.334 0.000 . 1076 113 113 ALA H H 8.214 0.000 . 1077 113 113 ALA HA H 4.229 0.000 . 1078 113 113 ALA HB H 1.331 0.000 . 1079 113 113 ALA C C 175.243 0.000 . 1080 113 113 ALA CA C 49.967 0.000 . 1081 113 113 ALA CB C 16.436 0.000 . 1082 113 113 ALA N N 124.061 0.000 . 1083 114 114 SER H H 8.124 0.000 . 1084 114 114 SER HA H 4.376 0.000 . 1085 114 114 SER HB2 H 3.782 0.000 . 1086 114 114 SER HB3 H 3.833 0.000 . 1087 114 114 SER CA C 55.596 0.000 . 1088 114 114 SER CB C 61.009 0.000 . 1089 114 114 SER N N 114.286 0.000 . 1090 119 119 ARG H H 8.246 0.000 . 1091 119 119 ARG HA H 4.294 0.000 . 1092 119 119 ARG HB2 H 1.706 0.000 . 1093 119 119 ARG HB3 H 1.806 0.000 . 1094 119 119 ARG HG2 H 1.578 0.000 . 1095 119 119 ARG HD2 H 3.123 0.000 . 1096 119 119 ARG HD3 H 3.123 0.000 . 1097 119 119 ARG C C 173.654 0.000 . 1098 119 119 ARG CA C 53.701 0.000 . 1099 119 119 ARG CB C 28.140 0.000 . 1100 119 119 ARG CG C 24.478 0.000 . 1101 119 119 ARG CD C 40.755 0.000 . 1102 119 119 ARG N N 122.813 0.000 . 1103 120 120 ILE H H 8.084 0.000 . 1104 120 120 ILE HA H 4.099 0.000 . 1105 120 120 ILE HB H 1.783 0.000 . 1106 120 120 ILE HG12 H 1.392 0.000 . 1107 120 120 ILE HG13 H 1.108 0.000 . 1108 120 120 ILE HG2 H 0.827 0.000 . 1109 120 120 ILE HD1 H 0.772 0.000 . 1110 120 120 ILE C C 173.651 0.000 . 1111 120 120 ILE CA C 58.593 0.000 . 1112 120 120 ILE CB C 36.091 0.000 . 1113 120 120 ILE CG1 C 24.701 0.000 . 1114 120 120 ILE CG2 C 14.884 0.000 . 1115 120 120 ILE CD1 C 10.258 0.000 . 1116 120 120 ILE N N 121.624 0.000 . 1117 121 121 SER H H 8.300 0.000 . 1118 121 121 SER HA H 4.378 0.000 . 1119 121 121 SER HB2 H 3.781 0.000 . 1120 121 121 SER HB3 H 3.781 0.000 . 1121 121 121 SER C C 170.780 0.000 . 1122 121 121 SER CA C 55.506 0.000 . 1123 121 121 SER CB C 61.571 0.000 . 1124 121 121 SER N N 119.953 0.000 . 1125 123 123 ALA H H 8.305 0.000 . 1126 123 123 ALA HA H 4.102 0.000 . 1127 123 123 ALA CA C 58.473 0.000 . 1128 123 123 ALA N N 119.892 0.000 . 1129 124 124 SER H H 8.353 0.000 . 1130 124 124 SER HA H 4.384 0.000 . 1131 124 124 SER HB2 H 3.785 0.000 . 1132 124 124 SER CA C 55.632 0.000 . 1133 124 124 SER CB C 60.925 0.000 . 1134 124 124 SER N N 122.264 0.000 . 1135 125 125 VAL H H 8.014 0.000 . 1136 125 125 VAL HA H 4.073 0.000 . 1137 125 125 VAL HB H 2.034 0.000 . 1138 125 125 VAL HG1 H 0.867 0.000 . 1139 125 125 VAL C C 173.240 0.000 . 1140 125 125 VAL CA C 59.588 0.000 . 1141 125 125 VAL CB C 30.198 0.000 . 1142 125 125 VAL CG1 C 18.332 0.000 . 1143 125 125 VAL N N 121.433 0.000 . 1144 126 126 ALA H H 8.277 0.000 . 1145 126 126 ALA HA H 4.278 0.000 . 1146 126 126 ALA HB H 1.328 0.000 . 1147 126 126 ALA C C 175.118 0.000 . 1148 126 126 ALA CA C 49.919 0.000 . 1149 126 126 ALA CB C 16.532 0.000 . 1150 126 126 ALA N N 127.185 0.000 . 1151 127 127 SER H H 8.249 0.000 . 1152 127 127 SER HA H 4.420 0.000 . 1153 127 127 SER HB2 H 4.261 0.000 . 1154 127 127 SER HB3 H 3.797 0.000 . 1155 127 127 SER C C 172.168 0.000 . 1156 127 127 SER CA C 55.770 0.000 . 1157 127 127 SER CB C 58.992 0.000 . 1158 127 127 SER N N 115.148 0.000 . 1159 128 128 THR H H 8.050 0.000 . 1160 128 128 THR C C 171.392 0.000 . 1161 128 128 THR CA C 59.083 0.000 . 1162 128 128 THR N N 115.498 0.000 . 1163 129 129 ALA H H 8.160 0.000 . 1164 129 129 ALA HA H 4.236 0.000 . 1165 129 129 ALA HB H 1.316 0.000 . 1166 129 129 ALA C C 174.650 0.000 . 1167 129 129 ALA CA C 49.794 0.000 . 1168 129 129 ALA CB C 16.538 0.000 . 1169 129 129 ALA N N 126.543 0.000 . 1170 130 130 ILE H H 8.043 0.000 . 1171 130 130 ILE HA H 4.099 0.000 . 1172 130 130 ILE HB H 1.800 0.000 . 1173 130 130 ILE C C 173.651 0.000 . 1174 130 130 ILE CA C 58.513 0.000 . 1175 130 130 ILE CB C 36.091 0.000 . 1176 130 130 ILE N N 120.371 0.000 . stop_ save_