data_26780 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for Interleukin-36alpha ; _BMRB_accession_number 26780 _BMRB_flat_file_name bmr26780.str _Entry_type original _Submission_date 2016-04-18 _Accession_date 2016-04-18 _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 Ohlenschlaeger Oliver . . 2 Goradia Nishit . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 834 "13C chemical shifts" 645 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-25 original BMRB . stop_ _Original_release_date 2016-04-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36alpha ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27351892 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goradia Nishit . . 2 Wissbrock Amelie . . 3 Wiedemann Christoph . . 4 Bordusa Frank . . 5 Ramachandran Ramadurai . . 6 Imhof Diana . . 7 Ohlenschlaeger Oliver . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 10 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 329 _Page_last 333 _Year 2016 _Details . loop_ _Keyword 'Backbone resonance assignments' Cytokines 'Heteronuclear NMR' 'Interleukin-1 superfamily' Interleukin-36alpha stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name IL36A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IL36A $Interleukin-36alpha stop_ _System_molecular_weight 17965.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Interleukin-36alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Interleukin-36alpha _Molecular_mass 17965.6 _Mol_thiol_state 'all free' loop_ _Biological_function Cytokine stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; GSHMEKALKIDTPQQGSIQD INHRVWVLQDQTLIAVPRKD RMSPVTIALISCRHVETLEK DRGNPIYLGLNGLNLCLMCA KVGDQPTLQLKEKDIMDLYN QPEPVKSFLFYHSQSGRNST FESVAFPGWFIAVSSEGGCP LILTQELGKANTTDFGLTML F ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 GLU 6 3 LYS 7 4 ALA 8 5 LEU 9 6 LYS 10 7 ILE 11 8 ASP 12 9 THR 13 10 PRO 14 11 GLN 15 12 GLN 16 13 GLY 17 14 SER 18 15 ILE 19 16 GLN 20 17 ASP 21 18 ILE 22 19 ASN 23 20 HIS 24 21 ARG 25 22 VAL 26 23 TRP 27 24 VAL 28 25 LEU 29 26 GLN 30 27 ASP 31 28 GLN 32 29 THR 33 30 LEU 34 31 ILE 35 32 ALA 36 33 VAL 37 34 PRO 38 35 ARG 39 36 LYS 40 37 ASP 41 38 ARG 42 39 MET 43 40 SER 44 41 PRO 45 42 VAL 46 43 THR 47 44 ILE 48 45 ALA 49 46 LEU 50 47 ILE 51 48 SER 52 49 CYS 53 50 ARG 54 51 HIS 55 52 VAL 56 53 GLU 57 54 THR 58 55 LEU 59 56 GLU 60 57 LYS 61 58 ASP 62 59 ARG 63 60 GLY 64 61 ASN 65 62 PRO 66 63 ILE 67 64 TYR 68 65 LEU 69 66 GLY 70 67 LEU 71 68 ASN 72 69 GLY 73 70 LEU 74 71 ASN 75 72 LEU 76 73 CYS 77 74 LEU 78 75 MET 79 76 CYS 80 77 ALA 81 78 LYS 82 79 VAL 83 80 GLY 84 81 ASP 85 82 GLN 86 83 PRO 87 84 THR 88 85 LEU 89 86 GLN 90 87 LEU 91 88 LYS 92 89 GLU 93 90 LYS 94 91 ASP 95 92 ILE 96 93 MET 97 94 ASP 98 95 LEU 99 96 TYR 100 97 ASN 101 98 GLN 102 99 PRO 103 100 GLU 104 101 PRO 105 102 VAL 106 103 LYS 107 104 SER 108 105 PHE 109 106 LEU 110 107 PHE 111 108 TYR 112 109 HIS 113 110 SER 114 111 GLN 115 112 SER 116 113 GLY 117 114 ARG 118 115 ASN 119 116 SER 120 117 THR 121 118 PHE 122 119 GLU 123 120 SER 124 121 VAL 125 122 ALA 126 123 PHE 127 124 PRO 128 125 GLY 129 126 TRP 130 127 PHE 131 128 ILE 132 129 ALA 133 130 VAL 134 131 SER 135 132 SER 136 133 GLU 137 134 GLY 138 135 GLY 139 136 CYS 140 137 PRO 141 138 LEU 142 139 ILE 143 140 LEU 144 141 THR 145 142 GLN 146 143 GLU 147 144 LEU 148 145 GLY 149 146 LYS 150 147 ALA 151 148 ASN 152 149 THR 153 150 THR 154 151 ASP 155 152 PHE 156 153 GLY 157 154 LEU 158 155 THR 159 156 MET 160 157 LEU 161 158 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q9UHA7 IL36A_HUMAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Interleukin-36alpha humans 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 $Interleukin-36alpha 'recombinant technology' . Escherichia coli . pET-28a 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 $Interleukin-36alpha 1.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Interleukin-36alpha 1.3 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.9 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IL36A _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET HA H 4.292 0.020 1 2 1 4 MET HB2 H 1.890 0.020 2 3 1 4 MET HB3 H 1.890 0.020 2 4 1 4 MET HG2 H 2.286 0.020 2 5 1 4 MET HG3 H 2.364 0.020 2 6 1 4 MET HE H 1.930 0.020 1 7 1 4 MET C C 175.953 0.300 1 8 1 4 MET CA C 55.429 0.300 1 9 1 4 MET CB C 32.638 0.300 1 10 1 4 MET CG C 31.711 0.300 1 11 1 4 MET CE C 17.340 0.300 1 12 1 4 MET N N 121.545 0.200 1 13 2 5 GLU H H 8.294 0.020 1 14 2 5 GLU HA H 4.103 0.020 1 15 2 5 GLU HB2 H 1.898 0.020 2 16 2 5 GLU HB3 H 1.844 0.020 2 17 2 5 GLU HG2 H 2.147 0.020 2 18 2 5 GLU HG3 H 2.147 0.020 2 19 2 5 GLU C C 176.413 0.300 1 20 2 5 GLU CA C 56.609 0.300 1 21 2 5 GLU CB C 30.065 0.300 1 22 2 5 GLU CG C 36.173 0.300 1 23 2 5 GLU N N 122.391 0.200 1 24 3 6 LYS H H 8.198 0.020 1 25 3 6 LYS HA H 4.133 0.020 1 26 3 6 LYS HB2 H 1.632 0.020 2 27 3 6 LYS HB3 H 1.707 0.020 2 28 3 6 LYS HG2 H 1.312 0.020 2 29 3 6 LYS HG3 H 1.312 0.020 2 30 3 6 LYS HD2 H 1.563 0.020 2 31 3 6 LYS HD3 H 1.563 0.020 2 32 3 6 LYS HE2 H 2.860 0.020 2 33 3 6 LYS HE3 H 2.860 0.020 2 34 3 6 LYS C C 176.069 0.300 1 35 3 6 LYS CA C 56.084 0.300 1 36 3 6 LYS CB C 32.844 0.300 1 37 3 6 LYS CG C 24.660 0.300 1 38 3 6 LYS CD C 28.934 0.300 1 39 3 6 LYS CE C 42.028 0.300 1 40 3 6 LYS N N 122.186 0.200 1 41 4 7 ALA H H 8.148 0.020 1 42 4 7 ALA HA H 4.170 0.020 1 43 4 7 ALA HB H 1.247 0.020 1 44 4 7 ALA C C 177.421 0.300 1 45 4 7 ALA CA C 52.181 0.300 1 46 4 7 ALA CB C 19.110 0.300 1 47 4 7 ALA N N 124.859 0.200 1 48 5 8 LEU H H 8.069 0.020 1 49 5 8 LEU HA H 4.191 0.020 1 50 5 8 LEU HB2 H 1.438 0.020 2 51 5 8 LEU HB3 H 1.514 0.020 2 52 5 8 LEU HG H 1.506 0.020 1 53 5 8 LEU HD1 H 0.808 0.020 2 54 5 8 LEU HD2 H 0.756 0.020 2 55 5 8 LEU C C 177.081 0.300 1 56 5 8 LEU CA C 55.005 0.300 1 57 5 8 LEU CB C 42.403 0.300 1 58 5 8 LEU CG C 27.089 0.300 1 59 5 8 LEU CD1 C 24.603 0.300 1 60 5 8 LEU CD2 C 23.429 0.300 1 61 5 8 LEU N N 121.619 0.200 1 62 6 9 LYS H H 8.195 0.020 1 63 6 9 LYS HA H 4.249 0.020 1 64 6 9 LYS HB2 H 1.709 0.020 2 65 6 9 LYS HB3 H 1.631 0.020 2 66 6 9 LYS HG2 H 1.250 0.020 2 67 6 9 LYS HG3 H 1.313 0.020 2 68 6 9 LYS HD2 H 1.555 0.020 2 69 6 9 LYS HD3 H 1.555 0.020 2 70 6 9 LYS HE2 H 2.860 0.020 2 71 6 9 LYS HE3 H 2.860 0.020 2 72 6 9 LYS C C 175.979 0.300 1 73 6 9 LYS CA C 55.950 0.300 1 74 6 9 LYS CB C 32.714 0.300 1 75 6 9 LYS CG C 24.597 0.300 1 76 6 9 LYS CD C 28.742 0.300 1 77 6 9 LYS CE C 41.793 0.300 1 78 6 9 LYS N N 123.204 0.200 1 79 7 10 ILE H H 8.113 0.020 1 80 7 10 ILE HA H 4.154 0.020 1 81 7 10 ILE HB H 1.768 0.020 1 82 7 10 ILE HG12 H 1.346 0.020 2 83 7 10 ILE HG13 H 1.060 0.020 2 84 7 10 ILE HG2 H 0.810 0.020 1 85 7 10 ILE HD1 H 0.757 0.020 1 86 7 10 ILE C C 175.549 0.300 1 87 7 10 ILE CA C 60.920 0.300 1 88 7 10 ILE CB C 38.859 0.300 1 89 7 10 ILE CG1 C 26.921 0.300 1 90 7 10 ILE CG2 C 17.738 0.300 1 91 7 10 ILE CD1 C 13.021 0.300 1 92 7 10 ILE N N 122.524 0.200 1 93 8 11 ASP H H 8.172 0.020 1 94 8 11 ASP HA H 4.490 0.020 1 95 8 11 ASP HB2 H 2.478 0.020 2 96 8 11 ASP HB3 H 2.478 0.020 2 97 8 11 ASP C C 174.009 0.300 1 98 8 11 ASP CA C 54.086 0.300 1 99 8 11 ASP CB C 41.517 0.300 1 100 8 11 ASP N N 123.282 0.200 1 101 9 12 THR H H 7.547 0.020 1 102 9 12 THR HA H 4.541 0.020 1 103 9 12 THR HB H 3.956 0.020 1 104 9 12 THR HG2 H 1.069 0.020 1 105 9 12 THR CA C 58.392 0.300 1 106 9 12 THR CB C 70.614 0.300 1 107 9 12 THR CG2 C 20.928 0.300 1 108 9 12 THR N N 112.042 0.200 1 109 10 13 PRO HA H 4.274 0.020 1 110 10 13 PRO HB2 H 1.759 0.020 2 111 10 13 PRO HB3 H 1.759 0.020 2 112 10 13 PRO HG2 H 1.839 0.020 2 113 10 13 PRO HG3 H 1.839 0.020 2 114 10 13 PRO HD2 H 3.500 0.020 2 115 10 13 PRO HD3 H 3.500 0.020 2 116 10 13 PRO C C 176.620 0.300 1 117 10 13 PRO CA C 62.904 0.300 1 118 10 13 PRO CB C 32.067 0.300 1 119 10 13 PRO CG C 27.311 0.300 1 120 10 13 PRO CD C 51.124 0.300 1 121 11 14 GLN H H 8.851 0.020 1 122 11 14 GLN HA H 4.357 0.020 1 123 11 14 GLN HB2 H 1.777 0.020 2 124 11 14 GLN HB3 H 1.991 0.020 2 125 11 14 GLN HG2 H 2.314 0.020 2 126 11 14 GLN HG3 H 2.314 0.020 2 127 11 14 GLN C C 174.892 0.300 1 128 11 14 GLN CA C 55.098 0.300 1 129 11 14 GLN CB C 31.425 0.300 1 130 11 14 GLN CG C 34.666 0.300 1 131 11 14 GLN N N 121.994 0.200 1 132 12 15 GLN H H 8.312 0.020 1 133 12 15 GLN HA H 5.373 0.020 1 134 12 15 GLN HB2 H 1.754 0.020 2 135 12 15 GLN HG2 H 2.099 0.020 2 136 12 15 GLN HG3 H 2.099 0.020 2 137 12 15 GLN C C 175.946 0.300 1 138 12 15 GLN CA C 54.177 0.300 1 139 12 15 GLN CB C 31.891 0.300 1 140 12 15 GLN CG C 33.913 0.300 1 141 12 15 GLN N N 120.325 0.200 1 142 13 16 GLY H H 8.670 0.020 1 143 13 16 GLY HA2 H 3.526 0.020 2 144 13 16 GLY HA3 H 4.686 0.020 2 145 13 16 GLY C C 170.865 0.300 1 146 13 16 GLY CA C 45.503 0.300 1 147 13 16 GLY N N 108.028 0.200 1 148 14 17 SER H H 8.703 0.020 1 149 14 17 SER HA H 4.771 0.020 1 150 14 17 SER HB2 H 3.676 0.020 2 151 14 17 SER HB3 H 3.730 0.020 2 152 14 17 SER C C 172.772 0.300 1 153 14 17 SER CA C 56.480 0.300 1 154 14 17 SER CB C 64.979 0.300 1 155 14 17 SER N N 115.172 0.200 1 156 15 18 ILE H H 8.261 0.020 1 157 15 18 ILE HA H 4.842 0.020 1 158 15 18 ILE HB H 0.390 0.020 1 159 15 18 ILE HG12 H 0.050 0.020 2 160 15 18 ILE HG13 H 0.680 0.020 2 161 15 18 ILE HG2 H -0.420 0.020 1 162 15 18 ILE HD1 H -0.350 0.020 1 163 15 18 ILE CA C 59.404 0.300 1 164 15 18 ILE CB C 41.100 0.300 1 165 15 18 ILE CG1 C 28.500 0.300 1 166 15 18 ILE CG2 C 15.200 0.300 1 167 15 18 ILE CD1 C 12.900 0.300 1 168 15 18 ILE N N 121.946 0.200 1 169 16 19 GLN HA H 4.280 0.020 1 170 16 19 GLN HB2 H 2.170 0.020 2 171 16 19 GLN HB3 H 2.170 0.020 2 172 16 19 GLN HG2 H 1.750 0.020 2 173 16 19 GLN HG3 H 1.830 0.020 2 174 16 19 GLN C C 176.897 0.300 1 175 16 19 GLN CA C 63.100 0.300 1 176 16 19 GLN CB C 32.000 0.300 1 177 16 19 GLN CG C 27.200 0.300 1 178 17 20 ASP H H 8.440 0.020 1 179 17 20 ASP HA H 4.140 0.020 1 180 17 20 ASP HB2 H 2.660 0.020 2 181 17 20 ASP HB3 H 1.680 0.020 2 182 17 20 ASP CA C 55.800 0.300 1 183 17 20 ASP CB C 29.600 0.300 1 184 17 20 ASP N N 120.800 0.200 1 185 18 21 ILE HA H 3.884 0.020 1 186 18 21 ILE HB H 1.700 0.020 1 187 18 21 ILE HG12 H 1.060 0.020 2 188 18 21 ILE HG13 H 1.160 0.020 2 189 18 21 ILE HG2 H 0.700 0.020 1 190 18 21 ILE HD1 H 0.740 0.020 1 191 18 21 ILE C C 175.507 0.300 1 192 18 21 ILE CA C 63.041 0.300 1 193 18 21 ILE CB C 38.482 0.300 1 194 18 21 ILE CG1 C 26.900 0.300 1 195 18 21 ILE CG2 C 18.100 0.300 1 196 18 21 ILE CD1 C 14.200 0.300 1 197 19 22 ASN H H 8.099 0.020 1 198 19 22 ASN HA H 4.622 0.020 1 199 19 22 ASN HB2 H 2.894 0.020 2 200 19 22 ASN HB3 H 2.544 0.020 2 201 19 22 ASN C C 174.192 0.300 1 202 19 22 ASN CA C 53.095 0.300 1 203 19 22 ASN CB C 38.772 0.300 1 204 19 22 ASN N N 119.456 0.200 1 205 20 23 HIS H H 8.040 0.020 1 206 20 23 HIS HA H 4.084 0.020 1 207 20 23 HIS HB2 H 3.453 0.020 2 208 20 23 HIS HB3 H 3.241 0.020 2 209 20 23 HIS C C 174.000 0.300 1 210 20 23 HIS CA C 57.234 0.300 1 211 20 23 HIS CB C 26.568 0.300 1 212 20 23 HIS N N 112.085 0.200 1 213 21 24 ARG H H 8.430 0.020 1 214 21 24 ARG HA H 4.599 0.020 1 215 21 24 ARG HB2 H 2.155 0.020 2 216 21 24 ARG HB3 H 1.285 0.020 2 217 21 24 ARG HG2 H 1.573 0.020 2 218 21 24 ARG HG3 H 1.573 0.020 2 219 21 24 ARG HD2 H 3.080 0.020 2 220 21 24 ARG HD3 H 3.080 0.020 2 221 21 24 ARG C C 176.615 0.300 1 222 21 24 ARG CA C 55.948 0.300 1 223 21 24 ARG CB C 30.905 0.300 1 224 21 24 ARG CG C 27.532 0.300 1 225 21 24 ARG CD C 43.367 0.300 1 226 21 24 ARG N N 118.572 0.200 1 227 22 25 VAL H H 8.964 0.020 1 228 22 25 VAL HA H 4.780 0.020 1 229 22 25 VAL HB H 2.319 0.020 1 230 22 25 VAL HG1 H 0.959 0.020 2 231 22 25 VAL HG2 H 0.843 0.020 2 232 22 25 VAL C C 174.826 0.300 1 233 22 25 VAL CA C 59.157 0.300 1 234 22 25 VAL CB C 33.629 0.300 1 235 22 25 VAL CG1 C 22.170 0.300 1 236 22 25 VAL CG2 C 19.100 0.300 1 237 22 25 VAL N N 118.441 0.200 1 238 23 26 TRP H H 8.378 0.020 1 239 23 26 TRP HA H 5.480 0.020 1 240 23 26 TRP HB2 H 2.656 0.020 2 241 23 26 TRP HB3 H 3.083 0.020 2 242 23 26 TRP C C 175.877 0.300 1 243 23 26 TRP CA C 55.526 0.300 1 244 23 26 TRP CB C 29.498 0.300 1 245 23 26 TRP N N 121.703 0.200 1 246 24 27 VAL H H 9.223 0.020 1 247 24 27 VAL HA H 4.320 0.020 1 248 24 27 VAL HB H 1.849 0.020 1 249 24 27 VAL HG1 H 0.726 0.020 2 250 24 27 VAL HG2 H 0.774 0.020 2 251 24 27 VAL C C 173.003 0.300 1 252 24 27 VAL CA C 60.680 0.300 1 253 24 27 VAL CB C 36.898 0.300 1 254 24 27 VAL CG1 C 21.467 0.300 1 255 24 27 VAL CG2 C 21.974 0.300 1 256 24 27 VAL N N 120.108 0.200 1 257 25 28 LEU H H 8.201 0.020 1 258 25 28 LEU HA H 4.649 0.020 1 259 25 28 LEU HB2 H 1.617 0.020 2 260 25 28 LEU HB3 H 0.933 0.020 2 261 25 28 LEU HG H 1.166 0.020 1 262 25 28 LEU HD1 H 0.581 0.020 2 263 25 28 LEU HD2 H 0.442 0.020 2 264 25 28 LEU C C 175.813 0.300 1 265 25 28 LEU CA C 53.595 0.300 1 266 25 28 LEU CB C 43.605 0.300 1 267 25 28 LEU CG C 27.007 0.300 1 268 25 28 LEU CD1 C 25.794 0.300 1 269 25 28 LEU CD2 C 23.952 0.300 1 270 25 28 LEU N N 123.976 0.200 1 271 26 29 GLN H H 8.948 0.020 1 272 26 29 GLN HA H 4.371 0.020 1 273 26 29 GLN HB2 H 2.018 0.020 2 274 26 29 GLN HB3 H 1.783 0.020 2 275 26 29 GLN HG2 H 1.682 0.020 2 276 26 29 GLN HG3 H 1.682 0.020 2 277 26 29 GLN C C 174.747 0.300 1 278 26 29 GLN CA C 54.784 0.300 1 279 26 29 GLN CB C 31.378 0.300 1 280 26 29 GLN CG C 34.065 0.300 1 281 26 29 GLN N N 128.693 0.200 1 282 27 30 ASP H H 9.192 0.020 1 283 27 30 ASP HA H 4.019 0.020 1 284 27 30 ASP HB2 H 2.784 0.020 2 285 27 30 ASP HB3 H 2.695 0.020 2 286 27 30 ASP CA C 56.702 0.300 1 287 27 30 ASP CB C 39.088 0.300 1 288 27 30 ASP N N 127.216 0.200 1 289 28 31 GLN HA H 3.901 0.020 1 290 28 31 GLN HB2 H 2.270 0.020 2 291 28 31 GLN HB3 H 1.930 0.020 2 292 28 31 GLN HG2 H 2.189 0.020 2 293 28 31 GLN HG3 H 2.189 0.020 2 294 28 31 GLN C C 173.854 0.300 1 295 28 31 GLN CA C 56.354 0.300 1 296 28 31 GLN CB C 28.387 0.300 1 297 28 31 GLN CG C 34.700 0.300 1 298 29 32 THR H H 7.695 0.020 1 299 29 32 THR HA H 4.384 0.020 1 300 29 32 THR HB H 3.974 0.020 1 301 29 32 THR HG2 H 1.083 0.020 1 302 29 32 THR C C 172.110 0.300 1 303 29 32 THR CA C 61.101 0.300 1 304 29 32 THR CB C 71.700 0.300 1 305 29 32 THR CG2 C 21.175 0.300 1 306 29 32 THR N N 114.448 0.200 1 307 30 33 LEU H H 8.581 0.020 1 308 30 33 LEU HA H 4.831 0.020 1 309 30 33 LEU HB2 H 1.188 0.020 2 310 30 33 LEU HB3 H 0.900 0.020 2 311 30 33 LEU HG H 1.227 0.020 1 312 30 33 LEU HD1 H 0.507 0.020 2 313 30 33 LEU HD2 H 0.878 0.020 2 314 30 33 LEU C C 175.570 0.300 1 315 30 33 LEU CA C 53.990 0.300 1 316 30 33 LEU CB C 43.609 0.300 1 317 30 33 LEU CG C 26.792 0.300 1 318 30 33 LEU CD1 C 24.801 0.300 1 319 30 33 LEU CD2 C 25.897 0.300 1 320 30 33 LEU N N 125.667 0.200 1 321 31 34 ILE H H 8.776 0.020 1 322 31 34 ILE HA H 4.664 0.020 1 323 31 34 ILE HB H 1.667 0.020 1 324 31 34 ILE HG12 H 1.028 0.020 2 325 31 34 ILE HG13 H 1.686 0.020 2 326 31 34 ILE HG2 H 0.574 0.020 1 327 31 34 ILE HD1 H 0.546 0.020 1 328 31 34 ILE C C 172.839 0.300 1 329 31 34 ILE CA C 59.271 0.300 1 330 31 34 ILE CB C 41.180 0.300 1 331 31 34 ILE CG1 C 26.125 0.300 1 332 31 34 ILE CG2 C 17.073 0.300 1 333 31 34 ILE CD1 C 13.646 0.300 1 334 31 34 ILE N N 120.661 0.200 1 335 32 35 ALA H H 7.969 0.020 1 336 32 35 ALA HA H 5.594 0.020 1 337 32 35 ALA HB H 1.165 0.020 1 338 32 35 ALA C C 176.828 0.300 1 339 32 35 ALA CA C 49.716 0.300 1 340 32 35 ALA CB C 22.359 0.300 1 341 32 35 ALA N N 122.862 0.200 1 342 33 36 VAL H H 8.862 0.020 1 343 33 36 VAL HA H 4.790 0.020 1 344 33 36 VAL HB H 2.028 0.020 1 345 33 36 VAL HG1 H 0.841 0.020 2 346 33 36 VAL HG2 H 0.723 0.020 2 347 33 36 VAL CA C 57.560 0.300 1 348 33 36 VAL CB C 34.622 0.300 1 349 33 36 VAL CG1 C 21.859 0.300 1 350 33 36 VAL CG2 C 19.937 0.300 1 351 33 36 VAL N N 117.506 0.200 1 352 34 37 PRO HA H 4.302 0.020 1 353 34 37 PRO HB2 H 1.976 0.020 2 354 34 37 PRO HB3 H 2.074 0.020 2 355 34 37 PRO HG2 H 1.784 0.020 2 356 34 37 PRO HG3 H 2.035 0.020 2 357 34 37 PRO HD2 H 2.725 0.020 2 358 34 37 PRO HD3 H 3.311 0.020 2 359 34 37 PRO C C 174.924 0.300 1 360 34 37 PRO CA C 55.149 0.300 1 361 34 37 PRO CB C 26.845 0.300 1 362 34 37 PRO CG C 31.740 0.300 1 363 34 37 PRO CD C 51.107 0.300 1 364 35 38 ARG H H 8.452 0.020 1 365 35 38 ARG HA H 4.093 0.020 1 366 35 38 ARG HB2 H 3.010 0.020 2 367 35 38 ARG HB3 H 2.978 0.020 2 368 35 38 ARG HG2 H 3.018 0.020 2 369 35 38 ARG HG3 H 3.018 0.020 2 370 35 38 ARG HD2 H 2.822 0.020 2 371 35 38 ARG HD3 H 2.822 0.020 2 372 35 38 ARG C C 172.915 0.300 1 373 35 38 ARG CA C 56.945 0.300 1 374 35 38 ARG CB C 30.279 0.300 1 375 35 38 ARG CG C 26.978 0.300 1 376 35 38 ARG CD C 43.059 0.300 1 377 35 38 ARG N N 122.853 0.200 1 378 36 39 LYS H H 7.951 0.020 1 379 36 39 LYS HA H 4.327 0.020 1 380 36 39 LYS HB2 H 1.778 0.020 2 381 36 39 LYS HB3 H 1.662 0.020 2 382 36 39 LYS HG2 H 1.312 0.020 2 383 36 39 LYS HD2 H 1.562 0.020 2 384 36 39 LYS HE2 H 2.862 0.020 2 385 36 39 LYS C C 175.814 0.300 1 386 36 39 LYS CA C 55.825 0.300 1 387 36 39 LYS CB C 33.965 0.300 1 388 36 39 LYS CG C 24.223 0.300 1 389 36 39 LYS CD C 28.938 0.300 1 390 36 39 LYS CE C 41.945 0.300 1 391 36 39 LYS N N 121.855 0.200 1 392 37 40 ASP H H 8.158 0.020 1 393 37 40 ASP HA H 4.335 0.020 1 394 37 40 ASP HB2 H 2.557 0.020 2 395 37 40 ASP C C 176.162 0.300 1 396 37 40 ASP CA C 55.834 0.300 1 397 37 40 ASP CB C 40.802 0.300 1 398 37 40 ASP N N 120.650 0.200 1 399 38 41 ARG H H 8.171 0.020 1 400 38 41 ARG HA H 4.013 0.020 1 401 38 41 ARG HB2 H 1.808 0.020 2 402 38 41 ARG HG2 H 1.460 0.020 2 403 38 41 ARG HD2 H 3.086 0.020 2 404 38 41 ARG C C 175.336 0.300 1 405 38 41 ARG CA C 56.787 0.300 1 406 38 41 ARG CB C 28.345 0.300 1 407 38 41 ARG CG C 27.139 0.300 1 408 38 41 ARG CD C 42.959 0.300 1 409 38 41 ARG N N 115.937 0.200 1 410 39 42 MET H H 7.897 0.020 1 411 39 42 MET HA H 4.433 0.020 1 412 39 42 MET HB2 H 1.906 0.020 2 413 39 42 MET HG2 H 2.346 0.020 2 414 39 42 MET HE H 1.780 0.020 1 415 39 42 MET C C 175.503 0.300 1 416 39 42 MET CA C 55.125 0.300 1 417 39 42 MET CB C 34.062 0.300 1 418 39 42 MET CG C 31.722 0.300 1 419 39 42 MET CE C 16.570 0.300 1 420 39 42 MET N N 119.122 0.200 1 421 40 43 SER H H 8.594 0.020 1 422 40 43 SER HA H 4.768 0.020 1 423 40 43 SER HB2 H 3.641 0.020 2 424 40 43 SER HB3 H 3.796 0.020 2 425 40 43 SER CA C 55.489 0.300 1 426 40 43 SER CB C 63.233 0.300 1 427 40 43 SER N N 118.549 0.200 1 428 41 44 PRO HA H 3.479 0.020 1 429 41 44 PRO HB2 H 1.213 0.020 2 430 41 44 PRO HB3 H 1.650 0.020 2 431 41 44 PRO HG2 H 0.829 0.020 2 432 41 44 PRO HG3 H 1.438 0.020 2 433 41 44 PRO HD2 H 3.720 0.020 2 434 41 44 PRO HD3 H 3.930 0.020 2 435 41 44 PRO C C 178.129 0.300 1 436 41 44 PRO CA C 61.965 0.300 1 437 41 44 PRO CB C 32.002 0.300 1 438 41 44 PRO CG C 27.083 0.300 1 439 41 44 PRO CD C 50.727 0.300 1 440 42 45 VAL H H 8.802 0.020 1 441 42 45 VAL HA H 4.602 0.020 1 442 42 45 VAL HB H 2.148 0.020 1 443 42 45 VAL HG1 H 0.871 0.020 2 444 42 45 VAL HG2 H 0.897 0.020 2 445 42 45 VAL C C 175.438 0.300 1 446 42 45 VAL CA C 62.205 0.300 1 447 42 45 VAL CB C 32.538 0.300 1 448 42 45 VAL CG1 C 21.632 0.300 1 449 42 45 VAL N N 112.576 0.200 1 450 43 46 THR H H 8.469 0.020 1 451 43 46 THR HA H 4.465 0.020 1 452 43 46 THR HB H 4.094 0.020 1 453 43 46 THR HG2 H 1.133 0.020 1 454 43 46 THR C C 174.508 0.300 1 455 43 46 THR CA C 61.589 0.300 1 456 43 46 THR CB C 69.861 0.300 1 457 43 46 THR CG2 C 22.212 0.300 1 458 43 46 THR N N 119.716 0.200 1 459 44 47 ILE H H 8.833 0.020 1 460 44 47 ILE HA H 4.789 0.020 1 461 44 47 ILE HB H 1.657 0.020 1 462 44 47 ILE HG12 H 0.860 0.020 2 463 44 47 ILE HG13 H 0.761 0.020 2 464 44 47 ILE HG2 H 0.524 0.020 1 465 44 47 ILE HD1 H 0.349 0.020 1 466 44 47 ILE C C 174.264 0.300 1 467 44 47 ILE CA C 58.730 0.300 1 468 44 47 ILE CB C 39.750 0.300 1 469 44 47 ILE CG1 C 26.505 0.300 1 470 44 47 ILE CG2 C 19.137 0.300 1 471 44 47 ILE CD1 C 13.090 0.300 1 472 44 47 ILE N N 122.725 0.200 1 473 45 48 ALA H H 8.675 0.020 1 474 45 48 ALA HA H 5.156 0.020 1 475 45 48 ALA HB H 1.023 0.020 1 476 45 48 ALA C C 174.606 0.300 1 477 45 48 ALA CA C 49.652 0.300 1 478 45 48 ALA CB C 21.259 0.300 1 479 45 48 ALA N N 126.059 0.200 1 480 46 49 LEU H H 8.624 0.020 1 481 46 49 LEU HA H 5.429 0.020 1 482 46 49 LEU HB2 H 1.465 0.020 2 483 46 49 LEU HB3 H 1.511 0.020 2 484 46 49 LEU HG H 1.495 0.020 1 485 46 49 LEU HD1 H 0.604 0.020 2 486 46 49 LEU HD2 H 0.478 0.020 2 487 46 49 LEU C C 175.398 0.300 1 488 46 49 LEU CA C 53.750 0.300 1 489 46 49 LEU CB C 45.931 0.300 1 490 46 49 LEU CG C 24.588 0.300 1 491 46 49 LEU CD1 C 26.181 0.300 1 492 46 49 LEU CD2 C 26.037 0.300 1 493 46 49 LEU N N 119.133 0.200 1 494 47 50 ILE H H 8.221 0.020 1 495 47 50 ILE HA H 4.488 0.020 1 496 47 50 ILE HB H 1.367 0.020 1 497 47 50 ILE HG12 H 1.306 0.020 2 498 47 50 ILE HG13 H 1.306 0.020 2 499 47 50 ILE HG2 H 0.842 0.020 1 500 47 50 ILE HD1 H -0.275 0.020 1 501 47 50 ILE C C 172.333 0.300 1 502 47 50 ILE CA C 60.899 0.300 1 503 47 50 ILE CB C 42.771 0.300 1 504 47 50 ILE CG1 C 28.840 0.300 1 505 47 50 ILE CG2 C 16.179 0.300 1 506 47 50 ILE CD1 C 13.753 0.300 1 507 47 50 ILE N N 120.301 0.200 1 508 48 51 SER H H 8.371 0.020 1 509 48 51 SER HA H 4.639 0.020 1 510 48 51 SER HB2 H 3.745 0.020 2 511 48 51 SER HB3 H 3.923 0.020 2 512 48 51 SER C C 172.990 0.300 1 513 48 51 SER CA C 59.324 0.300 1 514 48 51 SER CB C 63.184 0.300 1 515 48 51 SER N N 122.891 0.200 1 516 49 52 CYS H H 8.068 0.020 1 517 49 52 CYS HA H 4.308 0.020 1 518 49 52 CYS HB2 H 2.272 0.020 2 519 49 52 CYS HB3 H 2.193 0.020 2 520 49 52 CYS C C 175.149 0.300 1 521 49 52 CYS CA C 58.084 0.300 1 522 49 52 CYS CB C 27.970 0.300 1 523 49 52 CYS N N 121.616 0.200 1 524 50 53 ARG H H 9.062 0.020 1 525 50 53 ARG HA H 4.041 0.020 1 526 50 53 ARG HB2 H 1.233 0.020 2 527 50 53 ARG HB3 H 0.984 0.020 2 528 50 53 ARG HG2 H 1.203 0.020 2 529 50 53 ARG HG3 H 1.004 0.020 2 530 50 53 ARG HD2 H 2.784 0.020 2 531 50 53 ARG HD3 H 2.686 0.020 2 532 50 53 ARG C C 175.988 0.300 1 533 50 53 ARG CA C 57.165 0.300 1 534 50 53 ARG CB C 30.595 0.300 1 535 50 53 ARG CG C 27.097 0.300 1 536 50 53 ARG CD C 43.128 0.300 1 537 50 53 ARG N N 126.895 0.200 1 538 51 54 HIS H H 7.224 0.020 1 539 51 54 HIS HA H 4.863 0.020 1 540 51 54 HIS HB2 H 3.081 0.020 2 541 51 54 HIS HB3 H 2.576 0.020 2 542 51 54 HIS C C 175.612 0.300 1 543 51 54 HIS CA C 54.018 0.300 1 544 51 54 HIS CB C 30.168 0.300 1 545 51 54 HIS N N 119.612 0.200 1 546 52 55 VAL H H 8.089 0.020 1 547 52 55 VAL HA H 4.297 0.020 1 548 52 55 VAL HB H 2.415 0.020 1 549 52 55 VAL HG1 H 0.771 0.020 2 550 52 55 VAL HG2 H 0.766 0.020 2 551 52 55 VAL C C 177.962 0.300 1 552 52 55 VAL CA C 61.252 0.300 1 553 52 55 VAL CB C 32.373 0.300 1 554 52 55 VAL CG1 C 21.897 0.300 1 555 52 55 VAL CG2 C 18.163 0.300 1 556 52 55 VAL N N 114.011 0.200 1 557 53 56 GLU H H 9.112 0.020 1 558 53 56 GLU HA H 4.043 0.020 1 559 53 56 GLU HB2 H 2.019 0.020 2 560 53 56 GLU HG2 H 2.314 0.020 2 561 53 56 GLU C C 178.074 0.300 1 562 53 56 GLU CA C 59.761 0.300 1 563 53 56 GLU CB C 29.030 0.300 1 564 53 56 GLU CG C 36.434 0.300 1 565 53 56 GLU N N 123.892 0.200 1 566 54 57 THR H H 8.204 0.020 1 567 54 57 THR HA H 4.337 0.020 1 568 54 57 THR HB H 4.359 0.020 1 569 54 57 THR HG2 H 1.070 0.020 1 570 54 57 THR C C 174.219 0.300 1 571 54 57 THR CA C 61.963 0.300 1 572 54 57 THR CB C 69.130 0.300 1 573 54 57 THR CG2 C 21.499 0.300 1 574 54 57 THR N N 107.893 0.200 1 575 55 58 LEU H H 7.234 0.020 1 576 55 58 LEU HA H 4.592 0.020 1 577 55 58 LEU HB2 H 1.810 0.020 2 578 55 58 LEU HB3 H 1.849 0.020 2 579 55 58 LEU HG H 1.470 0.020 1 580 55 58 LEU HD1 H 0.605 0.020 2 581 55 58 LEU HD2 H 0.748 0.020 2 582 55 58 LEU C C 176.471 0.300 1 583 55 58 LEU CA C 53.175 0.300 1 584 55 58 LEU CB C 42.056 0.300 1 585 55 58 LEU CG C 26.953 0.300 1 586 55 58 LEU CD1 C 22.453 0.300 1 587 55 58 LEU CD2 C 22.532 0.300 1 588 55 58 LEU N N 121.155 0.200 1 589 56 59 GLU H H 7.878 0.020 1 590 56 59 GLU HA H 4.209 0.020 1 591 56 59 GLU HB2 H 1.909 0.020 2 592 56 59 GLU HB3 H 1.502 0.020 2 593 56 59 GLU HG2 H 2.269 0.020 2 594 56 59 GLU C C 178.218 0.300 1 595 56 59 GLU CA C 56.381 0.300 1 596 56 59 GLU CB C 29.792 0.300 1 597 56 59 GLU CG C 35.914 0.300 1 598 56 59 GLU N N 117.640 0.200 1 599 57 60 LYS H H 8.775 0.020 1 600 57 60 LYS HA H 4.416 0.020 1 601 57 60 LYS HB2 H 1.587 0.020 2 602 57 60 LYS HG2 H 1.374 0.020 2 603 57 60 LYS HD2 H 1.841 0.020 2 604 57 60 LYS HE2 H 2.933 0.020 2 605 57 60 LYS C C 177.345 0.300 1 606 57 60 LYS CA C 56.538 0.300 1 607 57 60 LYS CB C 33.524 0.300 1 608 57 60 LYS CG C 24.711 0.300 1 609 57 60 LYS CD C 28.585 0.300 1 610 57 60 LYS CE C 42.170 0.300 1 611 57 60 LYS N N 120.465 0.200 1 612 58 61 ASP H H 8.363 0.020 1 613 58 61 ASP HA H 4.496 0.020 1 614 58 61 ASP HB2 H 2.706 0.020 2 615 58 61 ASP HB3 H 2.472 0.020 2 616 58 61 ASP C C 176.272 0.300 1 617 58 61 ASP CA C 53.907 0.300 1 618 58 61 ASP CB C 40.312 0.300 1 619 58 61 ASP N N 117.869 0.200 1 620 59 62 ARG H H 8.490 0.020 1 621 59 62 ARG HA H 4.284 0.020 1 622 59 62 ARG HB2 H 1.148 0.020 2 623 59 62 ARG HB3 H 0.381 0.020 2 624 59 62 ARG HG2 H 0.987 0.020 2 625 59 62 ARG HG3 H 0.987 0.020 2 626 59 62 ARG HD2 H 2.800 0.020 2 627 59 62 ARG HD3 H 2.800 0.020 2 628 59 62 ARG C C 174.606 0.300 1 629 59 62 ARG CA C 54.616 0.300 1 630 59 62 ARG CB C 30.616 0.300 1 631 59 62 ARG CG C 26.381 0.300 1 632 59 62 ARG CD C 42.056 0.300 1 633 59 62 ARG N N 117.925 0.200 1 634 60 63 GLY H H 7.675 0.020 1 635 60 63 GLY HA2 H 3.520 0.020 2 636 60 63 GLY HA3 H 4.208 0.020 2 637 60 63 GLY C C 173.593 0.300 1 638 60 63 GLY CA C 42.596 0.300 1 639 60 63 GLY N N 106.427 0.200 1 640 61 64 ASN H H 8.238 0.020 1 641 61 64 ASN HA H 4.338 0.020 1 642 61 64 ASN HB2 H 2.935 0.020 2 643 61 64 ASN HB3 H 2.935 0.020 2 644 61 64 ASN CA C 51.201 0.300 1 645 61 64 ASN CB C 40.251 0.300 1 646 61 64 ASN N N 119.267 0.200 1 647 62 65 PRO HA H 5.057 0.020 1 648 62 65 PRO HB2 H 1.659 0.020 2 649 62 65 PRO HB3 H 1.659 0.020 2 650 62 65 PRO HG2 H 2.324 0.020 2 651 62 65 PRO HG3 H 2.324 0.020 2 652 62 65 PRO HD2 H 1.727 0.020 2 653 62 65 PRO HD3 H 1.727 0.020 2 654 62 65 PRO C C 175.908 0.300 1 655 62 65 PRO CA C 61.941 0.300 1 656 62 65 PRO CB C 31.321 0.300 1 657 62 65 PRO CG C 28.566 0.300 1 658 62 65 PRO CD C 50.471 0.300 1 659 63 66 ILE H H 9.700 0.020 1 660 63 66 ILE HA H 5.045 0.020 1 661 63 66 ILE HB H 1.820 0.020 1 662 63 66 ILE HG12 H 1.349 0.020 2 663 63 66 ILE HG13 H 0.841 0.020 2 664 63 66 ILE HG2 H 0.916 0.020 1 665 63 66 ILE HD1 H 0.909 0.020 1 666 63 66 ILE C C 177.130 0.300 1 667 63 66 ILE CA C 59.387 0.300 1 668 63 66 ILE CB C 42.858 0.300 1 669 63 66 ILE CG1 C 25.456 0.300 1 670 63 66 ILE CG2 C 21.743 0.300 1 671 63 66 ILE CD1 C 18.272 0.300 1 672 63 66 ILE N N 121.999 0.200 1 673 64 67 TYR H H 8.477 0.020 1 674 64 67 TYR HA H 5.202 0.020 1 675 64 67 TYR HB2 H 3.068 0.020 2 676 64 67 TYR HB3 H 2.525 0.020 2 677 64 67 TYR C C 174.481 0.300 1 678 64 67 TYR CA C 57.700 0.300 1 679 64 67 TYR CB C 40.429 0.300 1 680 64 67 TYR N N 119.674 0.200 1 681 65 68 LEU H H 10.553 0.020 1 682 65 68 LEU HA H 5.106 0.020 1 683 65 68 LEU HB2 H 1.363 0.020 2 684 65 68 LEU HB3 H 1.084 0.020 2 685 65 68 LEU HG H 1.154 0.020 1 686 65 68 LEU HD1 H 0.017 0.020 2 687 65 68 LEU HD2 H -0.008 0.020 2 688 65 68 LEU C C 174.512 0.300 1 689 65 68 LEU CA C 54.125 0.300 1 690 65 68 LEU CB C 47.740 0.300 1 691 65 68 LEU CG C 27.177 0.300 1 692 65 68 LEU CD1 C 24.067 0.300 1 693 65 68 LEU CD2 C 24.907 0.300 1 694 65 68 LEU N N 124.728 0.200 1 695 66 69 GLY H H 9.396 0.020 1 696 66 69 GLY HA2 H 3.997 0.020 2 697 66 69 GLY HA3 H 4.855 0.020 2 698 66 69 GLY C C 173.732 0.300 1 699 66 69 GLY CA C 45.111 0.300 1 700 66 69 GLY N N 111.363 0.200 1 701 67 70 LEU H H 8.289 0.020 1 702 67 70 LEU HA H 4.838 0.020 1 703 67 70 LEU HB2 H 1.751 0.020 2 704 67 70 LEU HB3 H 1.357 0.020 2 705 67 70 LEU HG H 1.454 0.020 1 706 67 70 LEU HD1 H 0.813 0.020 2 707 67 70 LEU HD2 H 0.804 0.020 2 708 67 70 LEU C C 177.393 0.300 1 709 67 70 LEU CA C 53.289 0.300 1 710 67 70 LEU CB C 41.085 0.300 1 711 67 70 LEU CG C 26.947 0.300 1 712 67 70 LEU CD1 C 22.960 0.300 1 713 67 70 LEU CD2 C 22.848 0.300 1 714 67 70 LEU N N 117.660 0.200 1 715 68 71 ASN H H 8.596 0.020 1 716 68 71 ASN HA H 4.194 0.020 1 717 68 71 ASN HB2 H 2.551 0.020 2 718 68 71 ASN HB3 H 2.026 0.020 2 719 68 71 ASN C C 176.109 0.300 1 720 68 71 ASN CA C 55.714 0.300 1 721 68 71 ASN CB C 39.472 0.300 1 722 68 71 ASN N N 124.432 0.200 1 723 69 72 GLY H H 8.866 0.020 1 724 69 72 GLY HA2 H 3.664 0.020 2 725 69 72 GLY HA3 H 4.000 0.020 2 726 69 72 GLY C C 173.800 0.300 1 727 69 72 GLY CA C 45.538 0.300 1 728 69 72 GLY N N 114.783 0.200 1 729 70 73 LEU H H 7.304 0.020 1 730 70 73 LEU HA H 4.479 0.020 1 731 70 73 LEU HB2 H 1.480 0.020 2 732 70 73 LEU HB3 H 1.362 0.020 2 733 70 73 LEU HG H 0.797 0.020 1 734 70 73 LEU HD1 H 0.761 0.020 2 735 70 73 LEU HD2 H 0.734 0.020 2 736 70 73 LEU C C 176.348 0.300 1 737 70 73 LEU CA C 53.765 0.300 1 738 70 73 LEU CB C 44.265 0.300 1 739 70 73 LEU CG C 25.804 0.300 1 740 70 73 LEU CD1 C 22.739 0.300 1 741 70 73 LEU CD2 C 22.739 0.300 1 742 70 73 LEU N N 118.224 0.200 1 743 71 74 ASN H H 8.683 0.020 1 744 71 74 ASN HA H 4.430 0.020 1 745 71 74 ASN HB2 H 2.550 0.020 2 746 71 74 ASN HB3 H 2.550 0.020 2 747 71 74 ASN CA C 52.260 0.300 1 748 71 74 ASN CB C 41.442 0.300 1 749 71 74 ASN N N 118.558 0.200 1 750 72 75 LEU HA H 5.288 0.020 1 751 72 75 LEU HB2 H 1.357 0.020 2 752 72 75 LEU HB3 H 1.064 0.020 2 753 72 75 LEU HG H 1.568 0.020 1 754 72 75 LEU HD1 H 0.743 0.020 2 755 72 75 LEU HD2 H 0.721 0.020 2 756 72 75 LEU C C 176.763 0.300 1 757 72 75 LEU CA C 53.201 0.300 1 758 72 75 LEU CB C 47.858 0.300 1 759 72 75 LEU CG C 26.593 0.300 1 760 72 75 LEU CD1 C 23.190 0.300 1 761 72 75 LEU CD2 C 22.920 0.300 1 762 73 76 CYS H H 9.066 0.020 1 763 73 76 CYS HA H 5.278 0.020 1 764 73 76 CYS HB2 H 3.113 0.020 2 765 73 76 CYS HB3 H 2.625 0.020 2 766 73 76 CYS C C 172.952 0.300 1 767 73 76 CYS CA C 58.260 0.300 1 768 73 76 CYS CB C 32.071 0.300 1 769 73 76 CYS N N 117.116 0.200 1 770 74 77 LEU H H 8.714 0.020 1 771 74 77 LEU HA H 4.558 0.020 1 772 74 77 LEU HB2 H 1.484 0.020 2 773 74 77 LEU HB3 H 1.330 0.020 2 774 74 77 LEU HG H 1.318 0.020 1 775 74 77 LEU HD1 H 0.357 0.020 2 776 74 77 LEU HD2 H 0.464 0.020 2 777 74 77 LEU C C 174.472 0.300 1 778 74 77 LEU CA C 56.590 0.300 1 779 74 77 LEU CB C 43.211 0.300 1 780 74 77 LEU CG C 29.710 0.300 1 781 74 77 LEU CD1 C 25.214 0.300 1 782 74 77 LEU CD2 C 24.001 0.300 1 783 74 77 LEU N N 124.494 0.200 1 784 75 78 MET H H 8.800 0.020 1 785 75 78 MET HA H 4.544 0.020 1 786 75 78 MET HB2 H 0.923 0.020 2 787 75 78 MET HB3 H 0.987 0.020 2 788 75 78 MET HG2 H 1.511 0.020 2 789 75 78 MET HG3 H 1.256 0.020 2 790 75 78 MET HE H 1.560 0.020 1 791 75 78 MET C C 172.062 0.300 1 792 75 78 MET CA C 53.526 0.300 1 793 75 78 MET CB C 34.958 0.300 1 794 75 78 MET CG C 30.955 0.300 1 795 75 78 MET CE C 17.390 0.300 1 796 75 78 MET N N 116.892 0.200 1 797 76 79 CYS H H 8.291 0.020 1 798 76 79 CYS HA H 5.288 0.020 1 799 76 79 CYS HB2 H 2.687 0.020 2 800 76 79 CYS HB3 H 2.255 0.020 2 801 76 79 CYS C C 173.539 0.300 1 802 76 79 CYS CA C 56.480 0.300 1 803 76 79 CYS CB C 30.871 0.300 1 804 76 79 CYS N N 117.689 0.200 1 805 77 80 ALA H H 8.505 0.020 1 806 77 80 ALA HA H 4.384 0.020 1 807 77 80 ALA HB H 0.996 0.020 1 808 77 80 ALA C C 175.392 0.300 1 809 77 80 ALA CA C 50.623 0.300 1 810 77 80 ALA CB C 22.397 0.300 1 811 77 80 ALA N N 124.717 0.200 1 812 78 81 LYS H H 8.712 0.020 1 813 78 81 LYS HA H 3.865 0.020 1 814 78 81 LYS HB2 H 1.445 0.020 2 815 78 81 LYS HB3 H 1.203 0.020 2 816 78 81 LYS HG2 H 0.544 0.020 2 817 78 81 LYS HG3 H 0.699 0.020 2 818 78 81 LYS HD2 H 1.346 0.020 2 819 78 81 LYS HE2 H 2.617 0.020 2 820 78 81 LYS C C 175.753 0.300 1 821 78 81 LYS CA C 56.695 0.300 1 822 78 81 LYS CB C 32.932 0.300 1 823 78 81 LYS CG C 25.703 0.300 1 824 78 81 LYS CD C 29.248 0.300 1 825 78 81 LYS CE C 41.387 0.300 1 826 78 81 LYS N N 122.051 0.200 1 827 79 82 VAL H H 7.885 0.020 1 828 79 82 VAL HA H 3.869 0.020 1 829 79 82 VAL HB H 1.818 0.020 1 830 79 82 VAL HG1 H 0.718 0.020 2 831 79 82 VAL HG2 H 0.624 0.020 2 832 79 82 VAL C C 176.960 0.300 1 833 79 82 VAL CA C 62.403 0.300 1 834 79 82 VAL CB C 32.412 0.300 1 835 79 82 VAL CG1 C 20.523 0.300 1 836 79 82 VAL CG2 C 20.403 0.300 1 837 79 82 VAL N N 127.503 0.200 1 838 80 83 GLY H H 8.758 0.020 1 839 80 83 GLY HA2 H 3.849 0.020 2 840 80 83 GLY HA3 H 3.553 0.020 2 841 80 83 GLY C C 174.214 0.300 1 842 80 83 GLY CA C 46.559 0.300 1 843 80 83 GLY N N 118.478 0.200 1 844 81 84 ASP H H 8.641 0.020 1 845 81 84 ASP HA H 4.425 0.020 1 846 81 84 ASP HB2 H 2.664 0.020 2 847 81 84 ASP HB3 H 2.470 0.020 2 848 81 84 ASP C C 175.347 0.300 1 849 81 84 ASP CA C 54.634 0.300 1 850 81 84 ASP CB C 41.447 0.300 1 851 81 84 ASP N N 123.170 0.200 1 852 82 85 GLN H H 7.532 0.020 1 853 82 85 GLN HA H 4.418 0.020 1 854 82 85 GLN HB2 H 1.889 0.020 2 855 82 85 GLN HB3 H 1.679 0.020 2 856 82 85 GLN HG2 H 2.210 0.020 2 857 82 85 GLN HG3 H 2.210 0.020 2 858 82 85 GLN CA C 52.678 0.300 1 859 82 85 GLN CB C 30.869 0.300 1 860 82 85 GLN CG C 32.804 0.300 1 861 82 85 GLN N N 118.752 0.200 1 862 83 86 PRO HA H 3.177 0.020 1 863 83 86 PRO HB2 H 0.198 0.020 2 864 83 86 PRO HB3 H 0.087 0.020 2 865 83 86 PRO HG2 H -0.313 0.020 2 866 83 86 PRO HG3 H -0.070 0.020 2 867 83 86 PRO HD2 H 3.020 0.020 2 868 83 86 PRO HD3 H 3.020 0.020 2 869 83 86 PRO C C 174.297 0.300 1 870 83 86 PRO CA C 62.761 0.300 1 871 83 86 PRO CB C 30.922 0.300 1 872 83 86 PRO CG C 26.565 0.300 1 873 83 86 PRO CD C 50.427 0.300 1 874 84 87 THR H H 8.393 0.020 1 875 84 87 THR HA H 4.408 0.020 1 876 84 87 THR HB H 3.875 0.020 1 877 84 87 THR HG2 H 1.017 0.020 1 878 84 87 THR C C 171.963 0.300 1 879 84 87 THR CA C 60.960 0.300 1 880 84 87 THR CB C 72.369 0.300 1 881 84 87 THR CG2 C 20.696 0.300 1 882 84 87 THR N N 117.931 0.200 1 883 85 88 LEU H H 8.308 0.020 1 884 85 88 LEU HA H 4.749 0.020 1 885 85 88 LEU HB2 H 1.602 0.020 2 886 85 88 LEU HB3 H 1.158 0.020 2 887 85 88 LEU HG H 1.110 0.020 1 888 85 88 LEU HD1 H 0.447 0.020 2 889 85 88 LEU HD2 H 0.429 0.020 2 890 85 88 LEU C C 175.809 0.300 1 891 85 88 LEU CA C 54.015 0.300 1 892 85 88 LEU CB C 43.699 0.300 1 893 85 88 LEU CG C 26.031 0.300 1 894 85 88 LEU CD1 C 24.076 0.300 1 895 85 88 LEU CD2 C 23.840 0.300 1 896 85 88 LEU N N 125.961 0.200 1 897 86 89 GLN H H 9.370 0.020 1 898 86 89 GLN HA H 4.542 0.020 1 899 86 89 GLN HB2 H 2.055 0.020 2 900 86 89 GLN HB3 H 1.905 0.020 2 901 86 89 GLN HG2 H 2.023 0.020 2 902 86 89 GLN C C 173.413 0.300 1 903 86 89 GLN CA C 53.882 0.300 1 904 86 89 GLN CB C 32.938 0.300 1 905 86 89 GLN CG C 33.774 0.300 1 906 86 89 GLN N N 125.897 0.200 1 907 87 90 LEU H H 8.343 0.020 1 908 87 90 LEU HA H 4.839 0.020 1 909 87 90 LEU HB2 H 1.143 0.020 2 910 87 90 LEU HB3 H 0.974 0.020 2 911 87 90 LEU HG H 1.562 0.020 1 912 87 90 LEU HD1 H 0.566 0.020 2 913 87 90 LEU HD2 H 0.511 0.020 2 914 87 90 LEU C C 176.576 0.300 1 915 87 90 LEU CA C 53.489 0.300 1 916 87 90 LEU CB C 43.598 0.300 1 917 87 90 LEU CG C 25.524 0.300 1 918 87 90 LEU CD1 C 24.994 0.300 1 919 87 90 LEU CD2 C 24.989 0.300 1 920 87 90 LEU N N 120.195 0.200 1 921 88 91 LYS H H 8.650 0.020 1 922 88 91 LYS HA H 4.598 0.020 1 923 88 91 LYS HB2 H 1.589 0.020 2 924 88 91 LYS HB3 H 1.841 0.020 2 925 88 91 LYS HG2 H 1.873 0.020 2 926 88 91 LYS HG3 H 1.873 0.020 2 927 88 91 LYS HD2 H 1.538 0.020 2 928 88 91 LYS HD3 H 1.538 0.020 2 929 88 91 LYS HE2 H 2.873 0.020 2 930 88 91 LYS HE3 H 2.873 0.020 2 931 88 91 LYS C C 175.327 0.300 1 932 88 91 LYS CA C 52.647 0.300 1 933 88 91 LYS CB C 36.697 0.300 1 934 88 91 LYS CG C 24.926 0.300 1 935 88 91 LYS CD C 27.947 0.300 1 936 88 91 LYS CE C 42.208 0.300 1 937 88 91 LYS N N 122.182 0.200 1 938 89 92 GLU H H 8.698 0.020 1 939 89 92 GLU HA H 4.765 0.020 1 940 89 92 GLU HB2 H 1.873 0.020 2 941 89 92 GLU HB3 H 1.873 0.020 2 942 89 92 GLU HG2 H 2.281 0.020 2 943 89 92 GLU HG3 H 2.130 0.020 2 944 89 92 GLU C C 175.162 0.300 1 945 89 92 GLU CA C 56.790 0.300 1 946 89 92 GLU CB C 28.579 0.300 1 947 89 92 GLU CG C 36.173 0.300 1 948 89 92 GLU N N 123.982 0.200 1 949 90 93 LYS H H 7.895 0.020 1 950 90 93 LYS HA H 3.989 0.020 1 951 90 93 LYS HB2 H 1.641 0.020 2 952 90 93 LYS HB3 H 1.248 0.020 2 953 90 93 LYS HG2 H 0.904 0.020 2 954 90 93 LYS HG3 H 0.521 0.020 2 955 90 93 LYS HD2 H 1.919 0.020 2 956 90 93 LYS C C 172.577 0.300 1 957 90 93 LYS CA C 54.524 0.300 1 958 90 93 LYS CB C 33.090 0.300 1 959 90 93 LYS CG C 23.489 0.300 1 960 90 93 LYS CD C 27.043 0.300 1 961 90 93 LYS N N 130.176 0.200 1 962 91 94 ASP H H 8.425 0.020 1 963 91 94 ASP HA H 4.555 0.020 1 964 91 94 ASP HB2 H 2.613 0.020 2 965 91 94 ASP HB3 H 2.414 0.020 2 966 91 94 ASP C C 177.648 0.300 1 967 91 94 ASP CA C 52.225 0.300 1 968 91 94 ASP CB C 41.654 0.300 1 969 91 94 ASP N N 126.349 0.200 1 970 92 95 ILE H H 8.625 0.020 1 971 92 95 ILE HA H 3.604 0.020 1 972 92 95 ILE HB H 1.625 0.020 1 973 92 95 ILE HG12 H 0.987 0.020 2 974 92 95 ILE HG13 H 1.337 0.020 2 975 92 95 ILE HG2 H 0.648 0.020 1 976 92 95 ILE HD1 H 0.574 0.020 1 977 92 95 ILE C C 175.822 0.300 1 978 92 95 ILE CA C 64.846 0.300 1 979 92 95 ILE CB C 38.507 0.300 1 980 92 95 ILE CG1 C 29.468 0.300 1 981 92 95 ILE CG2 C 15.879 0.300 1 982 92 95 ILE CD1 C 14.216 0.300 1 983 92 95 ILE N N 131.012 0.200 1 984 93 96 MET H H 8.151 0.020 1 985 93 96 MET HA H 4.536 0.020 1 986 93 96 MET HB2 H 1.883 0.020 2 987 93 96 MET HB3 H 1.883 0.020 2 988 93 96 MET HG2 H 2.213 0.020 2 989 93 96 MET HG3 H 2.213 0.020 2 990 93 96 MET HE H 1.708 0.020 1 991 93 96 MET C C 176.201 0.300 1 992 93 96 MET CA C 54.998 0.300 1 993 93 96 MET CB C 27.923 0.300 1 994 93 96 MET CG C 31.556 0.300 1 995 93 96 MET CE C 15.188 0.300 1 996 93 96 MET N N 118.545 0.200 1 997 94 97 ASP H H 7.438 0.020 1 998 94 97 ASP HA H 4.306 0.020 1 999 94 97 ASP HB2 H 2.667 0.020 2 1000 94 97 ASP C C 179.282 0.300 1 1001 94 97 ASP CA C 56.834 0.300 1 1002 94 97 ASP CB C 40.302 0.300 1 1003 94 97 ASP N N 120.554 0.200 1 1004 95 98 LEU H H 6.595 0.020 1 1005 95 98 LEU HA H 3.475 0.020 1 1006 95 98 LEU HB2 H 1.216 0.020 2 1007 95 98 LEU HB3 H -0.509 0.020 2 1008 95 98 LEU HG H 0.793 0.020 1 1009 95 98 LEU HD1 H 0.793 0.020 2 1010 95 98 LEU HD2 H -0.123 0.020 2 1011 95 98 LEU C C 178.988 0.300 1 1012 95 98 LEU CA C 57.315 0.300 1 1013 95 98 LEU CB C 39.280 0.300 1 1014 95 98 LEU CG C 25.161 0.300 1 1015 95 98 LEU CD1 C 26.341 0.300 1 1016 95 98 LEU CD2 C 21.606 0.300 1 1017 95 98 LEU N N 117.527 0.200 1 1018 96 99 TYR H H 7.791 0.020 1 1019 96 99 TYR HA H 4.088 0.020 1 1020 96 99 TYR HB2 H 2.970 0.020 2 1021 96 99 TYR HB3 H 2.906 0.020 2 1022 96 99 TYR C C 177.187 0.300 1 1023 96 99 TYR CA C 60.837 0.300 1 1024 96 99 TYR CB C 39.378 0.300 1 1025 96 99 TYR N N 119.664 0.200 1 1026 97 100 ASN H H 7.957 0.020 1 1027 97 100 ASN HA H 4.333 0.020 1 1028 97 100 ASN HB2 H 2.783 0.020 2 1029 97 100 ASN HB3 H 2.703 0.020 2 1030 97 100 ASN C C 175.653 0.300 1 1031 97 100 ASN CA C 53.896 0.300 1 1032 97 100 ASN CB C 38.934 0.300 1 1033 97 100 ASN N N 113.991 0.200 1 1034 98 101 GLN H H 7.354 0.020 1 1035 98 101 GLN HA H 4.186 0.020 1 1036 98 101 GLN HB2 H 2.019 0.020 2 1037 98 101 GLN HB3 H 2.019 0.020 2 1038 98 101 GLN HG2 H 2.730 0.020 2 1039 98 101 GLN HG3 H 2.730 0.020 2 1040 98 101 GLN CA C 54.957 0.300 1 1041 98 101 GLN CB C 28.019 0.300 1 1042 98 101 GLN CG C 33.567 0.300 1 1043 98 101 GLN N N 122.519 0.200 1 1044 99 102 PRO HA H 4.417 0.020 1 1045 99 102 PRO HB2 H 2.305 0.020 2 1046 99 102 PRO HB3 H 1.760 0.020 2 1047 99 102 PRO HG2 H 1.818 0.020 2 1048 99 102 PRO HG3 H 1.505 0.020 2 1049 99 102 PRO HD2 H 3.778 0.020 2 1050 99 102 PRO HD3 H 3.543 0.020 2 1051 99 102 PRO C C 176.847 0.300 1 1052 99 102 PRO CA C 63.132 0.300 1 1053 99 102 PRO CB C 32.135 0.300 1 1054 99 102 PRO CG C 27.939 0.300 1 1055 99 102 PRO CD C 50.944 0.300 1 1056 100 103 GLU H H 8.623 0.020 1 1057 100 103 GLU HA H 4.393 0.020 1 1058 100 103 GLU HB2 H 1.800 0.020 2 1059 100 103 GLU HB3 H 1.800 0.020 2 1060 100 103 GLU HG2 H 2.177 0.020 2 1061 100 103 GLU HG3 H 2.175 0.020 2 1062 100 103 GLU CA C 58.050 0.300 1 1063 100 103 GLU CB C 30.282 0.300 1 1064 100 103 GLU CG C 27.916 0.300 1 1065 100 103 GLU N N 123.358 0.200 1 1066 101 104 PRO HA H 4.139 0.020 1 1067 101 104 PRO HB2 H 2.172 0.020 2 1068 101 104 PRO HB3 H 1.528 0.020 2 1069 101 104 PRO HG2 H 1.754 0.020 2 1070 101 104 PRO HG3 H 1.961 0.020 2 1071 101 104 PRO HD2 H 3.654 0.020 2 1072 101 104 PRO HD3 H 3.654 0.020 2 1073 101 104 PRO C C 175.654 0.300 1 1074 101 104 PRO CA C 62.862 0.300 1 1075 101 104 PRO CB C 32.197 0.300 1 1076 101 104 PRO CG C 26.916 0.300 1 1077 101 104 PRO CD C 50.460 0.300 1 1078 102 105 VAL H H 8.246 0.020 1 1079 102 105 VAL HA H 4.175 0.020 1 1080 102 105 VAL HB H 2.360 0.020 1 1081 102 105 VAL HG1 H 0.993 0.020 2 1082 102 105 VAL HG2 H 0.825 0.020 2 1083 102 105 VAL C C 177.064 0.300 1 1084 102 105 VAL CA C 61.526 0.300 1 1085 102 105 VAL CB C 29.437 0.300 1 1086 102 105 VAL CG1 C 22.983 0.300 1 1087 102 105 VAL CG2 C 19.457 0.300 1 1088 102 105 VAL N N 126.349 0.200 1 1089 103 106 LYS H H 8.259 0.020 1 1090 103 106 LYS HA H 4.480 0.020 1 1091 103 106 LYS HB2 H 1.344 0.020 2 1092 103 106 LYS HB3 H 1.344 0.020 2 1093 103 106 LYS HG2 H 1.341 0.020 2 1094 103 106 LYS HG3 H 1.341 0.020 2 1095 103 106 LYS HD2 H 1.695 0.020 2 1096 103 106 LYS HD3 H 2.867 0.020 2 1097 103 106 LYS HE2 H 2.860 0.020 2 1098 103 106 LYS HE3 H 2.860 0.020 2 1099 103 106 LYS CA C 56.067 0.300 1 1100 103 106 LYS CB C 32.716 0.300 1 1101 103 106 LYS CG C 24.748 0.300 1 1102 103 106 LYS CD C 28.808 0.300 1 1103 103 106 LYS CE C 41.599 0.300 1 1104 103 106 LYS N N 123.066 0.200 1 1105 104 107 SER HA H 3.719 0.020 1 1106 104 107 SER HB2 H 3.745 0.020 2 1107 104 107 SER C C 174.108 0.300 1 1108 104 107 SER CA C 62.075 0.300 1 1109 104 107 SER CB C 62.287 0.300 1 1110 105 108 PHE H H 7.572 0.020 1 1111 105 108 PHE HA H 4.909 0.020 1 1112 105 108 PHE HB2 H 4.068 0.020 2 1113 105 108 PHE HB3 H 2.821 0.020 2 1114 105 108 PHE C C 173.608 0.300 1 1115 105 108 PHE CA C 57.560 0.300 1 1116 105 108 PHE CB C 41.081 0.300 1 1117 105 108 PHE N N 117.500 0.200 1 1118 106 109 LEU H H 7.021 0.020 1 1119 106 109 LEU HA H 4.718 0.020 1 1120 106 109 LEU HB2 H 1.333 0.020 2 1121 106 109 LEU HB3 H 0.817 0.020 2 1122 106 109 LEU HG H 0.424 0.020 1 1123 106 109 LEU HD1 H -0.147 0.020 2 1124 106 109 LEU HD2 H -0.135 0.020 2 1125 106 109 LEU C C 176.342 0.300 1 1126 106 109 LEU CA C 53.799 0.300 1 1127 106 109 LEU CB C 45.332 0.300 1 1128 106 109 LEU CG C 27.798 0.300 1 1129 106 109 LEU CD1 C 24.817 0.300 1 1130 106 109 LEU CD2 C 24.417 0.300 1 1131 106 109 LEU N N 119.249 0.200 1 1132 107 110 PHE H H 9.006 0.020 1 1133 107 110 PHE HA H 5.057 0.020 1 1134 107 110 PHE HB2 H 2.675 0.020 2 1135 107 110 PHE HB3 H 2.540 0.020 2 1136 107 110 PHE C C 174.991 0.300 1 1137 107 110 PHE CA C 56.193 0.300 1 1138 107 110 PHE CB C 42.777 0.300 1 1139 107 110 PHE N N 119.352 0.200 1 1140 108 111 TYR H H 10.199 0.020 1 1141 108 111 TYR HA H 4.475 0.020 1 1142 108 111 TYR HB2 H 2.783 0.020 2 1143 108 111 TYR HB3 H 2.783 0.020 2 1144 108 111 TYR C C 176.195 0.300 1 1145 108 111 TYR CA C 57.325 0.300 1 1146 108 111 TYR CB C 38.783 0.300 1 1147 108 111 TYR N N 120.635 0.200 1 1148 109 112 HIS H H 9.572 0.020 1 1149 109 112 HIS HA H 3.975 0.020 1 1150 109 112 HIS HB2 H 1.652 0.020 2 1151 109 112 HIS HB3 H 1.652 0.020 2 1152 109 112 HIS C C 174.876 0.300 1 1153 109 112 HIS CA C 54.559 0.300 1 1154 109 112 HIS CB C 33.106 0.300 1 1155 109 112 HIS N N 128.333 0.200 1 1156 110 113 SER H H 8.482 0.020 1 1157 110 113 SER HA H 4.625 0.020 1 1158 110 113 SER HB2 H 3.588 0.020 2 1159 110 113 SER HB3 H 3.588 0.020 2 1160 110 113 SER C C 172.538 0.300 1 1161 110 113 SER CA C 56.455 0.300 1 1162 110 113 SER CB C 63.998 0.300 1 1163 110 113 SER N N 126.270 0.200 1 1164 111 114 GLN H H 8.239 0.020 1 1165 111 114 GLN HA H 5.118 0.020 1 1166 111 114 GLN HB2 H 1.755 0.020 2 1167 111 114 GLN HB3 H 1.506 0.020 2 1168 111 114 GLN HG2 H 2.037 0.020 2 1169 111 114 GLN HG3 H 1.781 0.020 2 1170 111 114 GLN C C 175.183 0.300 1 1171 111 114 GLN CA C 54.408 0.300 1 1172 111 114 GLN CB C 31.896 0.300 1 1173 111 114 GLN CG C 34.179 0.300 1 1174 111 114 GLN N N 124.754 0.200 1 1175 112 115 SER H H 8.427 0.020 1 1176 112 115 SER HA H 4.424 0.020 1 1177 112 115 SER HB2 H 3.540 0.020 2 1178 112 115 SER HB3 H 3.640 0.020 2 1179 112 115 SER C C 175.266 0.300 1 1180 112 115 SER CA C 56.319 0.300 1 1181 112 115 SER CB C 62.966 0.300 1 1182 112 115 SER N N 120.217 0.200 1 1183 113 116 GLY H H 8.966 0.020 1 1184 113 116 GLY HA2 H 3.602 0.020 2 1185 113 116 GLY HA3 H 3.861 0.020 2 1186 113 116 GLY C C 175.167 0.300 1 1187 113 116 GLY CA C 46.632 0.300 1 1188 113 116 GLY N N 117.816 0.200 1 1189 114 117 ARG H H 8.877 0.020 1 1190 114 117 ARG HA H 4.213 0.020 1 1191 114 117 ARG HB2 H 1.513 0.020 2 1192 114 117 ARG HB3 H 1.868 0.020 2 1193 114 117 ARG HG2 H 1.526 0.020 2 1194 114 117 ARG HG3 H 1.526 0.020 2 1195 114 117 ARG HD2 H 3.073 0.020 2 1196 114 117 ARG C C 176.474 0.300 1 1197 114 117 ARG CA C 56.427 0.300 1 1198 114 117 ARG CB C 30.161 0.300 1 1199 114 117 ARG CG C 27.145 0.300 1 1200 114 117 ARG CD C 43.040 0.300 1 1201 114 117 ARG N N 125.338 0.200 1 1202 115 118 ASN H H 8.016 0.020 1 1203 115 118 ASN HA H 4.998 0.020 1 1204 115 118 ASN HB2 H 2.797 0.020 2 1205 115 118 ASN HB3 H 2.552 0.020 2 1206 115 118 ASN CA C 53.126 0.300 1 1207 115 118 ASN CB C 40.666 0.300 1 1208 115 118 ASN N N 119.574 0.200 1 1209 116 119 SER HA H 5.431 0.020 1 1210 116 119 SER HB2 H 6.321 0.020 2 1211 116 119 SER HB3 H 6.321 0.020 2 1212 116 119 SER C C 172.550 0.300 1 1213 116 119 SER CA C 59.183 0.300 1 1214 116 119 SER CB C 66.136 0.300 1 1215 117 120 THR H H 8.599 0.020 1 1216 117 120 THR HA H 4.847 0.020 1 1217 117 120 THR HB H 4.441 0.020 1 1218 117 120 THR HG2 H 1.129 0.020 1 1219 117 120 THR C C 173.722 0.300 1 1220 117 120 THR CA C 59.894 0.300 1 1221 117 120 THR CB C 72.802 0.300 1 1222 117 120 THR CG2 C 20.806 0.300 1 1223 117 120 THR N N 111.587 0.200 1 1224 118 121 PHE H H 9.848 0.020 1 1225 118 121 PHE HA H 5.505 0.020 1 1226 118 121 PHE HB2 H 2.760 0.020 2 1227 118 121 PHE HB3 H 2.483 0.020 2 1228 118 121 PHE C C 173.120 0.300 1 1229 118 121 PHE CA C 56.147 0.300 1 1230 118 121 PHE CB C 42.876 0.300 1 1231 118 121 PHE N N 119.342 0.200 1 1232 119 122 GLU H H 8.879 0.020 1 1233 119 122 GLU HA H 4.549 0.020 1 1234 119 122 GLU HB2 H 1.722 0.020 2 1235 119 122 GLU HB3 H 2.243 0.020 2 1236 119 122 GLU HG2 H 1.137 0.020 2 1237 119 122 GLU HG3 H 2.012 0.020 2 1238 119 122 GLU C C 176.534 0.300 1 1239 119 122 GLU CA C 53.543 0.300 1 1240 119 122 GLU CB C 33.035 0.300 1 1241 119 122 GLU CG C 34.880 0.300 1 1242 119 122 GLU N N 126.049 0.200 1 1243 120 123 SER H H 9.211 0.020 1 1244 120 123 SER HA H 4.306 0.020 1 1245 120 123 SER HB2 H 4.005 0.020 2 1246 120 123 SER HB3 H 4.005 0.020 2 1247 120 123 SER C C 174.217 0.300 1 1248 120 123 SER CA C 59.509 0.300 1 1249 120 123 SER CB C 63.363 0.300 1 1250 120 123 SER N N 120.934 0.200 1 1251 121 124 VAL H H 7.209 0.020 1 1252 121 124 VAL HA H 3.414 0.020 1 1253 121 124 VAL HB H 1.409 0.020 1 1254 121 124 VAL HG1 H 0.487 0.020 2 1255 121 124 VAL HG2 H -0.435 0.020 2 1256 121 124 VAL C C 177.495 0.300 1 1257 121 124 VAL CA C 63.939 0.300 1 1258 121 124 VAL CB C 31.296 0.300 1 1259 121 124 VAL CG1 C 21.198 0.300 1 1260 121 124 VAL CG2 C 21.144 0.300 1 1261 121 124 VAL N N 125.839 0.200 1 1262 122 125 ALA H H 7.395 0.020 1 1263 122 125 ALA HA H 3.447 0.020 1 1264 122 125 ALA HB H 0.455 0.020 1 1265 122 125 ALA C C 176.409 0.300 1 1266 122 125 ALA CA C 53.622 0.300 1 1267 122 125 ALA CB C 18.615 0.300 1 1268 122 125 ALA N N 120.476 0.200 1 1269 123 126 PHE H H 7.513 0.020 1 1270 123 126 PHE HA H 4.664 0.020 1 1271 123 126 PHE HB2 H 2.619 0.020 2 1272 123 126 PHE HB3 H 2.619 0.020 2 1273 123 126 PHE CA C 53.748 0.300 1 1274 123 126 PHE CB C 38.445 0.300 1 1275 123 126 PHE N N 115.671 0.200 1 1276 124 127 PRO HA H 4.587 0.020 1 1277 124 127 PRO HB2 H 2.219 0.020 2 1278 124 127 PRO HB3 H 1.812 0.020 2 1279 124 127 PRO HG2 H 1.983 0.020 2 1280 124 127 PRO HG3 H 1.936 0.020 2 1281 124 127 PRO HD2 H 3.250 0.020 2 1282 124 127 PRO HD3 H 3.448 0.020 2 1283 124 127 PRO C C 178.967 0.300 1 1284 124 127 PRO CA C 63.623 0.300 1 1285 124 127 PRO CB C 31.692 0.300 1 1286 124 127 PRO CG C 27.816 0.300 1 1287 124 127 PRO CD C 49.730 0.300 1 1288 125 128 GLY H H 10.586 0.020 1 1289 125 128 GLY HA2 H 3.448 0.020 2 1290 125 128 GLY HA3 H 4.162 0.020 2 1291 125 128 GLY C C 172.819 0.300 1 1292 125 128 GLY CA C 44.639 0.300 1 1293 125 128 GLY N N 113.504 0.200 1 1294 126 129 TRP H H 7.986 0.020 1 1295 126 129 TRP HA H 4.746 0.020 1 1296 126 129 TRP HB2 H 3.553 0.020 2 1297 126 129 TRP HB3 H 2.816 0.020 2 1298 126 129 TRP HE1 H 10.040 0.020 1 1299 126 129 TRP C C 174.632 0.300 1 1300 126 129 TRP CA C 56.214 0.300 1 1301 126 129 TRP CB C 28.887 0.300 1 1302 126 129 TRP N N 120.242 0.200 1 1303 126 129 TRP NE1 N 129.550 0.200 1 1304 127 130 PHE H H 9.589 0.020 1 1305 127 130 PHE HA H 5.597 0.020 1 1306 127 130 PHE HB2 H 3.325 0.020 2 1307 127 130 PHE HB3 H 2.633 0.020 2 1308 127 130 PHE C C 177.167 0.300 1 1309 127 130 PHE CA C 56.279 0.300 1 1310 127 130 PHE CB C 42.659 0.300 1 1311 127 130 PHE N N 121.964 0.200 1 1312 128 131 ILE H H 8.782 0.020 1 1313 128 131 ILE HA H 4.338 0.020 1 1314 128 131 ILE HB H 1.868 0.020 1 1315 128 131 ILE HG12 H 0.726 0.020 2 1316 128 131 ILE HG13 H 1.685 0.020 2 1317 128 131 ILE HG2 H 0.604 0.020 1 1318 128 131 ILE HD1 H -0.244 0.020 1 1319 128 131 ILE C C 175.181 0.300 1 1320 128 131 ILE CA C 64.426 0.300 1 1321 128 131 ILE CB C 37.804 0.300 1 1322 128 131 ILE CG1 C 28.093 0.300 1 1323 128 131 ILE CG2 C 17.234 0.300 1 1324 128 131 ILE CD1 C 12.185 0.300 1 1325 128 131 ILE N N 120.322 0.200 1 1326 129 132 ALA H H 9.195 0.020 1 1327 129 132 ALA HA H 5.540 0.020 1 1328 129 132 ALA HB H 0.980 0.020 1 1329 129 132 ALA C C 175.644 0.300 1 1330 129 132 ALA CA C 49.551 0.300 1 1331 129 132 ALA CB C 25.702 0.300 1 1332 129 132 ALA N N 127.277 0.200 1 1333 130 133 VAL H H 8.624 0.020 1 1334 130 133 VAL HA H 4.005 0.020 1 1335 130 133 VAL HB H 1.899 0.020 1 1336 130 133 VAL HG1 H 1.128 0.020 2 1337 130 133 VAL HG2 H 0.833 0.020 2 1338 130 133 VAL C C 177.073 0.300 1 1339 130 133 VAL CA C 61.627 0.300 1 1340 130 133 VAL CB C 33.308 0.300 1 1341 130 133 VAL CG1 C 21.131 0.300 1 1342 130 133 VAL CG2 C 22.452 0.300 1 1343 130 133 VAL N N 118.552 0.200 1 1344 131 134 SER H H 8.494 0.020 1 1345 131 134 SER HA H 4.405 0.020 1 1346 131 134 SER HB2 H 3.935 0.020 2 1347 131 134 SER HB3 H 3.797 0.020 2 1348 131 134 SER C C 174.950 0.300 1 1349 131 134 SER CA C 57.889 0.300 1 1350 131 134 SER CB C 63.550 0.300 1 1351 131 134 SER N N 122.482 0.200 1 1352 132 135 SER H H 8.231 0.020 1 1353 132 135 SER HA H 4.341 0.020 1 1354 132 135 SER HB2 H 4.210 0.020 2 1355 132 135 SER HB3 H 4.210 0.020 2 1356 132 135 SER C C 175.166 0.300 1 1357 132 135 SER CA C 59.352 0.300 1 1358 132 135 SER CB C 63.799 0.300 1 1359 132 135 SER N N 118.478 0.200 1 1360 133 136 GLU H H 8.074 0.020 1 1361 133 136 GLU HA H 4.357 0.020 1 1362 133 136 GLU HB2 H 1.775 0.020 2 1363 133 136 GLU HB3 H 1.775 0.020 2 1364 133 136 GLU HG2 H 2.047 0.020 2 1365 133 136 GLU HG3 H 2.182 0.020 2 1366 133 136 GLU C C 176.889 0.300 1 1367 133 136 GLU CA C 55.548 0.300 1 1368 133 136 GLU CB C 31.584 0.300 1 1369 133 136 GLU CG C 36.145 0.300 1 1370 133 136 GLU N N 121.699 0.200 1 1371 134 137 GLY H H 8.565 0.020 1 1372 134 137 GLY HA2 H 3.732 0.020 2 1373 134 137 GLY HA3 H 3.732 0.020 2 1374 134 137 GLY C C 175.133 0.300 1 1375 134 137 GLY CA C 46.953 0.300 1 1376 134 137 GLY N N 108.271 0.200 1 1377 135 138 GLY H H 8.755 0.020 1 1378 135 138 GLY HA2 H 3.911 0.020 2 1379 135 138 GLY HA3 H 3.875 0.020 2 1380 135 138 GLY C C 173.244 0.300 1 1381 135 138 GLY CA C 45.087 0.300 1 1382 135 138 GLY N N 112.574 0.200 1 1383 136 139 CYS H H 8.084 0.020 1 1384 136 139 CYS HA H 4.276 0.020 1 1385 136 139 CYS HB2 H 2.076 0.020 2 1386 136 139 CYS HB3 H 2.076 0.020 2 1387 136 139 CYS CA C 60.602 0.300 1 1388 136 139 CYS CB C 38.839 0.300 1 1389 136 139 CYS N N 113.691 0.200 1 1390 137 140 PRO HA H 4.752 0.020 1 1391 137 140 PRO HB2 H 1.950 0.020 2 1392 137 140 PRO HB3 H 1.787 0.020 2 1393 137 140 PRO HG2 H 2.210 0.020 2 1394 137 140 PRO HG3 H 1.798 0.020 2 1395 137 140 PRO HD2 H 4.546 0.020 2 1396 137 140 PRO HD3 H 4.546 0.020 2 1397 137 140 PRO C C 179.593 0.300 1 1398 137 140 PRO CA C 62.752 0.300 1 1399 137 140 PRO CB C 31.260 0.300 1 1400 137 140 PRO CG C 27.066 0.300 1 1401 137 140 PRO CD C 55.451 0.300 1 1402 138 141 LEU H H 7.432 0.020 1 1403 138 141 LEU HA H 4.767 0.020 1 1404 138 141 LEU HB2 H 0.823 0.020 2 1405 138 141 LEU HB3 H 0.961 0.020 2 1406 138 141 LEU HG H 0.497 0.020 1 1407 138 141 LEU HD1 H -0.427 0.020 2 1408 138 141 LEU HD2 H -0.267 0.020 2 1409 138 141 LEU C C 177.339 0.300 1 1410 138 141 LEU CA C 53.943 0.300 1 1411 138 141 LEU CB C 40.845 0.300 1 1412 138 141 LEU CG C 27.623 0.300 1 1413 138 141 LEU CD1 C 24.000 0.300 1 1414 138 141 LEU CD2 C 22.825 0.300 1 1415 138 141 LEU N N 120.666 0.200 1 1416 139 142 ILE H H 9.156 0.020 1 1417 139 142 ILE HA H 4.836 0.020 1 1418 139 142 ILE HB H 2.014 0.020 1 1419 139 142 ILE HG12 H 0.864 0.020 2 1420 139 142 ILE HG13 H 0.864 0.020 2 1421 139 142 ILE HG2 H 0.844 0.020 1 1422 139 142 ILE HD1 H 0.827 0.020 1 1423 139 142 ILE C C 174.585 0.300 1 1424 139 142 ILE CA C 59.592 0.300 1 1425 139 142 ILE CB C 43.737 0.300 1 1426 139 142 ILE CG1 C 25.891 0.300 1 1427 139 142 ILE CG2 C 17.390 0.300 1 1428 139 142 ILE CD1 C 17.591 0.300 1 1429 139 142 ILE N N 117.783 0.200 1 1430 140 143 LEU H H 7.626 0.020 1 1431 140 143 LEU HA H 5.651 0.020 1 1432 140 143 LEU HB2 H 1.638 0.020 2 1433 140 143 LEU HB3 H 1.638 0.020 2 1434 140 143 LEU HG H 1.697 0.020 1 1435 140 143 LEU HD1 H 0.579 0.020 2 1436 140 143 LEU HD2 H 0.823 0.020 2 1437 140 143 LEU C C 177.415 0.300 1 1438 140 143 LEU CA C 53.292 0.300 1 1439 140 143 LEU CB C 45.918 0.300 1 1440 140 143 LEU CG C 27.426 0.300 1 1441 140 143 LEU CD1 C 25.368 0.300 1 1442 140 143 LEU CD2 C 23.421 0.300 1 1443 140 143 LEU N N 115.674 0.200 1 1444 141 144 THR H H 9.533 0.020 1 1445 141 144 THR HA H 4.930 0.020 1 1446 141 144 THR HB H 3.768 0.020 1 1447 141 144 THR HG2 H 0.963 0.020 1 1448 141 144 THR C C 171.200 0.300 1 1449 141 144 THR CA C 60.572 0.300 1 1450 141 144 THR CB C 70.707 0.300 1 1451 141 144 THR CG2 C 20.687 0.300 1 1452 141 144 THR N N 116.846 0.200 1 1453 142 145 GLN H H 8.060 0.020 1 1454 142 145 GLN HA H 4.799 0.020 1 1455 142 145 GLN HB2 H 0.968 0.020 2 1456 142 145 GLN HB3 H 1.074 0.020 2 1457 142 145 GLN HG2 H 0.421 0.020 2 1458 142 145 GLN HG3 H 0.942 0.020 2 1459 142 145 GLN C C 176.104 0.300 1 1460 142 145 GLN CA C 54.771 0.300 1 1461 142 145 GLN CB C 29.676 0.300 1 1462 142 145 GLN CG C 32.680 0.300 1 1463 142 145 GLN N N 123.591 0.200 1 1464 143 146 GLU H H 7.969 0.020 1 1465 143 146 GLU HA H 4.229 0.020 1 1466 143 146 GLU HB2 H 1.727 0.020 2 1467 143 146 GLU HB3 H 1.727 0.020 2 1468 143 146 GLU HG2 H 1.921 0.020 2 1469 143 146 GLU HG3 H 2.013 0.020 2 1470 143 146 GLU C C 174.746 0.300 1 1471 143 146 GLU CA C 55.267 0.300 1 1472 143 146 GLU CB C 30.462 0.300 1 1473 143 146 GLU CG C 36.234 0.300 1 1474 143 146 GLU N N 121.707 0.200 1 1475 144 147 LEU H H 8.125 0.020 1 1476 144 147 LEU HA H 4.157 0.020 1 1477 144 147 LEU HB2 H 1.124 0.020 2 1478 144 147 LEU HB3 H 1.261 0.020 2 1479 144 147 LEU HG H 1.062 0.020 1 1480 144 147 LEU HD1 H -0.018 0.020 2 1481 144 147 LEU HD2 H 0.284 0.020 2 1482 144 147 LEU C C 178.332 0.300 1 1483 144 147 LEU CA C 54.567 0.300 1 1484 144 147 LEU CB C 42.189 0.300 1 1485 144 147 LEU CG C 27.083 0.300 1 1486 144 147 LEU CD1 C 22.404 0.300 1 1487 144 147 LEU CD2 C 24.106 0.300 1 1488 144 147 LEU N N 125.523 0.200 1 1489 145 148 GLY H H 8.488 0.020 1 1490 145 148 GLY HA2 H 3.731 0.020 2 1491 145 148 GLY HA3 H 3.731 0.020 2 1492 145 148 GLY C C 174.729 0.300 1 1493 145 148 GLY CA C 46.256 0.300 1 1494 145 148 GLY N N 109.353 0.200 1 1495 146 149 LYS H H 8.171 0.020 1 1496 146 149 LYS HA H 4.368 0.020 1 1497 146 149 LYS HB2 H 1.579 0.020 2 1498 146 149 LYS HB3 H 1.579 0.020 2 1499 146 149 LYS HG2 H 1.107 0.020 2 1500 146 149 LYS HG3 H 1.233 0.020 2 1501 146 149 LYS HD2 H 1.810 0.020 2 1502 146 149 LYS HD3 H 1.810 0.020 2 1503 146 149 LYS HE2 H 2.805 0.020 2 1504 146 149 LYS HE3 H 2.805 0.020 2 1505 146 149 LYS C C 175.958 0.300 1 1506 146 149 LYS CA C 54.534 0.300 1 1507 146 149 LYS CB C 31.059 0.300 1 1508 146 149 LYS CG C 24.555 0.300 1 1509 146 149 LYS CD C 28.493 0.300 1 1510 146 149 LYS CE C 41.909 0.300 1 1511 146 149 LYS N N 120.901 0.200 1 1512 147 150 ALA H H 7.854 0.020 1 1513 147 150 ALA HA H 4.016 0.020 1 1514 147 150 ALA HB H 1.286 0.020 1 1515 147 150 ALA C C 177.939 0.300 1 1516 147 150 ALA CA C 54.261 0.300 1 1517 147 150 ALA CB C 18.850 0.300 1 1518 147 150 ALA N N 122.558 0.200 1 1519 148 151 ASN H H 7.538 0.020 1 1520 148 151 ASN HA H 5.070 0.020 1 1521 148 151 ASN HB2 H 2.619 0.020 2 1522 148 151 ASN HB3 H 2.233 0.020 2 1523 148 151 ASN C C 174.354 0.300 1 1524 148 151 ASN CA C 52.086 0.300 1 1525 148 151 ASN CB C 38.892 0.300 1 1526 148 151 ASN N N 114.424 0.200 1 1527 149 152 THR H H 8.058 0.020 1 1528 149 152 THR HA H 4.009 0.020 1 1529 149 152 THR HB H 3.784 0.020 1 1530 149 152 THR HG2 H 1.105 0.020 1 1531 149 152 THR C C 173.923 0.300 1 1532 149 152 THR CA C 63.919 0.300 1 1533 149 152 THR CB C 69.726 0.300 1 1534 149 152 THR CG2 C 22.293 0.300 1 1535 149 152 THR N N 120.738 0.200 1 1536 150 153 THR H H 8.177 0.020 1 1537 150 153 THR HA H 4.682 0.020 1 1538 150 153 THR HB H 4.355 0.020 1 1539 150 153 THR HG2 H 1.089 0.020 1 1540 150 153 THR C C 172.239 0.300 1 1541 150 153 THR CA C 60.945 0.300 1 1542 150 153 THR CB C 69.979 0.300 1 1543 150 153 THR CG2 C 22.545 0.300 1 1544 150 153 THR N N 113.957 0.200 1 1545 151 154 ASP H H 6.586 0.020 1 1546 151 154 ASP HA H 4.784 0.020 1 1547 151 154 ASP HB2 H 2.144 0.020 2 1548 151 154 ASP HB3 H 2.144 0.020 2 1549 151 154 ASP C C 174.259 0.300 1 1550 151 154 ASP CA C 54.116 0.300 1 1551 151 154 ASP CB C 43.659 0.300 1 1552 151 154 ASP N N 119.872 0.200 1 1553 152 155 PHE H H 9.026 0.020 1 1554 152 155 PHE HA H 4.864 0.020 1 1555 152 155 PHE HB2 H 2.892 0.020 2 1556 152 155 PHE HB3 H 2.892 0.020 2 1557 152 155 PHE C C 174.679 0.300 1 1558 152 155 PHE CA C 57.156 0.300 1 1559 152 155 PHE CB C 42.826 0.300 1 1560 152 155 PHE N N 118.605 0.200 1 1561 153 156 GLY H H 9.272 0.020 1 1562 153 156 GLY HA2 H 3.396 0.020 2 1563 153 156 GLY HA3 H 3.396 0.020 2 1564 153 156 GLY C C 176.781 0.300 1 1565 153 156 GLY CA C 45.486 0.300 1 1566 153 156 GLY N N 109.787 0.200 1 1567 154 157 LEU H H 7.947 0.020 1 1568 154 157 LEU HA H 4.786 0.020 1 1569 154 157 LEU HB2 H 1.113 0.020 2 1570 154 157 LEU HB3 H 1.658 0.020 2 1571 154 157 LEU HG H 1.253 0.020 1 1572 154 157 LEU HD1 H 0.507 0.020 2 1573 154 157 LEU HD2 H 0.528 0.020 2 1574 154 157 LEU C C 176.334 0.300 1 1575 154 157 LEU CA C 53.956 0.300 1 1576 154 157 LEU CB C 43.552 0.300 1 1577 154 157 LEU CG C 27.726 0.300 1 1578 154 157 LEU CD1 C 25.300 0.300 1 1579 154 157 LEU CD2 C 23.901 0.300 1 1580 154 157 LEU N N 121.685 0.200 1 1581 155 158 THR H H 8.743 0.020 1 1582 155 158 THR HA H 4.333 0.020 1 1583 155 158 THR HB H 3.867 0.020 1 1584 155 158 THR HG2 H 1.025 0.020 1 1585 155 158 THR C C 173.621 0.300 1 1586 155 158 THR CA C 61.504 0.300 1 1587 155 158 THR CB C 69.983 0.300 1 1588 155 158 THR CG2 C 20.880 0.300 1 1589 155 158 THR N N 123.826 0.200 1 1590 156 159 MET H H 8.742 0.020 1 1591 156 159 MET HA H 4.731 0.020 1 1592 156 159 MET HB2 H 1.845 0.020 2 1593 156 159 MET HB3 H 1.845 0.020 2 1594 156 159 MET HG2 H 2.389 0.020 2 1595 156 159 MET HG3 H 2.636 0.020 2 1596 156 159 MET HE H 1.952 0.020 1 1597 156 159 MET C C 176.361 0.300 1 1598 156 159 MET CA C 54.138 0.300 1 1599 156 159 MET CB C 30.479 0.300 1 1600 156 159 MET CG C 32.168 0.300 1 1601 156 159 MET CE C 16.644 0.300 1 1602 156 159 MET N N 125.210 0.200 1 1603 157 160 LEU H H 8.417 0.020 1 1604 157 160 LEU HA H 4.187 0.020 1 1605 157 160 LEU HB2 H 1.276 0.020 2 1606 157 160 LEU HB3 H 1.313 0.020 2 1607 157 160 LEU HG H 1.349 0.020 1 1608 157 160 LEU HD1 H 0.663 0.020 2 1609 157 160 LEU HD2 H 0.693 0.020 2 1610 157 160 LEU C C 175.724 0.300 1 1611 157 160 LEU CA C 54.929 0.300 1 1612 157 160 LEU CB C 42.532 0.300 1 1613 157 160 LEU CG C 27.211 0.300 1 1614 157 160 LEU CD1 C 22.869 0.300 1 1615 157 160 LEU CD2 C 25.108 0.300 1 1616 157 160 LEU N N 123.861 0.200 1 1617 158 161 PHE H H 7.640 0.020 1 1618 158 161 PHE HA H 4.312 0.020 1 1619 158 161 PHE HB2 H 2.813 0.020 2 1620 158 161 PHE HB3 H 3.072 0.020 2 1621 158 161 PHE CA C 58.755 0.300 1 1622 158 161 PHE CB C 40.523 0.300 1 1623 158 161 PHE N N 124.218 0.200 1 stop_ save_