data_26021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sr33 Coiled-coil domain ; _BMRB_accession_number 26021 _BMRB_flat_file_name bmr26021.str _Entry_type original _Submission_date 2016-03-30 _Accession_date 2016-03-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Coiled-coil domain of Sr33. First three residues (SNA)are residual sample preparation (TEV). Glycine 6 is the first native residue. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lavrencic Peter . . 2 Mobli Mehdi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 506 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-30 update BMRB 'update entry citation' 2016-10-13 original author 'original release' stop_ _Original_release_date 2016-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27791121 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Casey Lachlan W. . 2 Lavrencic Peter . . 3 Bentham Adam R. . 4 Cesari Stella . . 5 Ericsson Daniel J. . 6 Croll Tristan . . 7 Turk Dusan . . 8 Anderson Peter A. . 9 Mark Alan E. . 10 Dodds Peter N. . 11 Mobli Mehdi . . 12 Kobe Bostjan . . 13 Williams Simon J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume . _Journal_issue . _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sr33 Coiled-coil domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 13138.456 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; SNAGAIAKLIPKLGELLVGE YKLHKGVKKNIEDLLKELKT MNAALIKIGEVPPDQLDSQD KLWADEVRELSYVIEDAVDK FLVRVHGVEPDDNTNGFKGL MKRTTKLLKKVVDKHGIA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 3 SER 2 4 ASN 3 5 ALA 4 6 GLY 5 7 ALA 6 8 ILE 7 9 ALA 8 10 LYS 9 11 LEU 10 12 ILE 11 13 PRO 12 14 LYS 13 15 LEU 14 16 GLY 15 17 GLU 16 18 LEU 17 19 LEU 18 20 VAL 19 21 GLY 20 22 GLU 21 23 TYR 22 24 LYS 23 25 LEU 24 26 HIS 25 27 LYS 26 28 GLY 27 29 VAL 28 30 LYS 29 31 LYS 30 32 ASN 31 33 ILE 32 34 GLU 33 35 ASP 34 36 LEU 35 37 LEU 36 38 LYS 37 39 GLU 38 40 LEU 39 41 LYS 40 42 THR 41 43 MET 42 44 ASN 43 45 ALA 44 46 ALA 45 47 LEU 46 48 ILE 47 49 LYS 48 50 ILE 49 51 GLY 50 52 GLU 51 53 VAL 52 54 PRO 53 55 PRO 54 56 ASP 55 57 GLN 56 58 LEU 57 59 ASP 58 60 SER 59 61 GLN 60 62 ASP 61 63 LYS 62 64 LEU 63 65 TRP 64 66 ALA 65 67 ASP 66 68 GLU 67 69 VAL 68 70 ARG 69 71 GLU 70 72 LEU 71 73 SER 72 74 TYR 73 75 VAL 74 76 ILE 75 77 GLU 76 78 ASP 77 79 ALA 78 80 VAL 79 81 ASP 80 82 LYS 81 83 PHE 82 84 LEU 83 85 VAL 84 86 ARG 85 87 VAL 86 88 HIS 87 89 GLY 88 90 VAL 89 91 GLU 90 92 PRO 91 93 ASP 92 94 ASP 93 95 ASN 94 96 THR 95 97 ASN 96 98 GLY 97 99 PHE 98 100 LYS 99 101 GLY 100 102 LEU 101 103 MET 102 104 LYS 103 105 ARG 104 106 THR 105 107 THR 106 108 LYS 107 109 LEU 108 110 LEU 109 111 LYS 110 112 LYS 111 113 VAL 112 114 VAL 113 115 ASP 114 116 LYS 115 117 HIS 116 118 GLY 117 119 ILE 118 120 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $entity 'bread wheat' 4565 Eukaryota Viridiplantae Triticum aestivum Sr33 'Natural source: Bread wheat (Triticum aestivum)' 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 'recombinant technology' . Escherichia coli BL-21 pMCSG7 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 450 uM '[U-100% 13C; U-100% 15N]' HEPES 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift calculation' refinement 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.4.1 loop_ _Vendor _Address _Electronic_address 'Vranken WF et al.' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details ; CCPNMR Publication: The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96 ; save_ save_Rowland_NMR_toolkit _Saveframe_category software _Name Rowland_NMR_toolkit _Version 3 loop_ _Vendor _Address _Electronic_address 'JC Hoch et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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 6.5 . 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 water C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.0 water N 15 protons ppm 4.773 internal 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 $CCPNMR stop_ loop_ _Experiment_label '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 entity _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 3 1 SER HA H 3.877 0.01 . 2 3 1 SER HB2 H 3.898 0.01 . 3 3 1 SER HB3 H 3.898 0.01 . 4 3 1 SER CA C 58.372 0.2 . 5 3 1 SER CB C 64.265 0.2 . 6 4 2 ASN HA H 4.749 0.01 . 7 4 2 ASN HB2 H 2.813 0.01 . 8 4 2 ASN HB3 H 2.813 0.01 . 9 4 2 ASN HD21 H 7.672 0.01 . 10 4 2 ASN HD22 H 7.010 0.01 . 11 4 2 ASN C C 175.260 0.2 . 12 4 2 ASN CA C 53.831 0.2 . 13 4 2 ASN CB C 38.681 0.2 . 14 4 2 ASN ND2 N 112.792 0.1 . 15 5 3 ALA H H 8.520 0.01 . 16 5 3 ALA HA H 4.290 0.01 . 17 5 3 ALA HB H 1.381 0.01 . 18 5 3 ALA C C 178.256 0.2 . 19 5 3 ALA CA C 53.081 0.2 . 20 5 3 ALA CB C 19.025 0.2 . 21 5 3 ALA N N 123.648 0.1 . 22 6 4 GLY H H 8.350 0.01 . 23 6 4 GLY HA2 H 3.887 0.01 . 24 6 4 GLY HA3 H 3.887 0.01 . 25 6 4 GLY C C 174.961 0.2 . 26 6 4 GLY CA C 45.830 0.2 . 27 6 4 GLY N N 107.044 0.1 . 28 7 5 ALA H H 8.078 0.01 . 29 7 5 ALA HA H 4.216 0.01 . 30 7 5 ALA HB H 1.325 0.01 . 31 7 5 ALA C C 179.006 0.2 . 32 7 5 ALA CA C 53.703 0.2 . 33 7 5 ALA CB C 18.844 0.2 . 34 7 5 ALA N N 123.366 0.1 . 35 8 6 ILE H H 7.943 0.01 . 36 8 6 ILE HA H 3.780 0.01 . 37 8 6 ILE HB H 2.027 0.01 . 38 8 6 ILE HG12 H 1.363 0.01 . 39 8 6 ILE HG13 H 1.260 0.01 . 40 8 6 ILE HG2 H 0.857 0.01 . 41 8 6 ILE HD1 H 0.687 0.01 . 42 8 6 ILE C C 177.032 0.2 . 43 8 6 ILE CA C 63.158 0.2 . 44 8 6 ILE CB C 36.289 0.2 . 45 8 6 ILE CG1 C 28.400 0.2 . 46 8 6 ILE CG2 C 18.492 0.2 . 47 8 6 ILE CD1 C 11.000 0.2 . 48 8 6 ILE N N 117.376 0.1 . 49 9 7 ALA H H 8.062 0.01 . 50 9 7 ALA HA H 3.933 0.01 . 51 9 7 ALA HB H 1.462 0.01 . 52 9 7 ALA C C 180.515 0.2 . 53 9 7 ALA CA C 55.098 0.2 . 54 9 7 ALA CB C 18.161 0.2 . 55 9 7 ALA N N 121.414 0.1 . 56 10 8 LYS H H 7.554 0.01 . 57 10 8 LYS HA H 4.164 0.01 . 58 10 8 LYS HB2 H 2.009 0.01 . 59 10 8 LYS HB3 H 1.874 0.01 . 60 10 8 LYS HD2 H 1.726 0.01 . 61 10 8 LYS HD3 H 1.678 0.01 . 62 10 8 LYS HE2 H 2.914 0.01 . 63 10 8 LYS C C 178.099 0.2 . 64 10 8 LYS CA C 57.840 0.2 . 65 10 8 LYS CB C 32.469 0.2 . 66 10 8 LYS CD C 29.256 0.2 . 67 10 8 LYS N N 114.594 0.1 . 68 11 9 LEU H H 7.814 0.01 . 69 11 9 LEU HA H 4.078 0.01 . 70 11 9 LEU HB2 H 1.990 0.01 . 71 11 9 LEU HB3 H 1.428 0.01 . 72 11 9 LEU HG H 1.817 0.01 . 73 11 9 LEU HD1 H 0.930 0.01 . 74 11 9 LEU HD2 H 0.868 0.01 . 75 11 9 LEU C C 177.930 0.2 . 76 11 9 LEU CA C 56.556 0.2 . 77 11 9 LEU CB C 43.088 0.2 . 78 11 9 LEU CG C 26.671 0.2 . 79 11 9 LEU CD1 C 25.101 0.2 . 80 11 9 LEU CD2 C 23.533 0.2 . 81 11 9 LEU N N 119.662 0.1 . 82 12 10 ILE H H 7.426 0.01 . 83 12 10 ILE HA H 3.692 0.01 . 84 12 10 ILE HB H 2.016 0.01 . 85 12 10 ILE HG2 H 0.903 0.01 . 86 12 10 ILE HD1 H 0.803 0.01 . 87 12 10 ILE CA C 67.629 0.2 . 88 12 10 ILE CB C 36.410 0.2 . 89 12 10 ILE CG2 C 16.598 0.2 . 90 12 10 ILE CD1 C 13.851 0.2 . 91 12 10 ILE N N 117.945 0.1 . 92 13 11 PRO HA H 4.403 0.01 . 93 13 11 PRO HB2 H 1.912 0.01 . 94 13 11 PRO HB3 H 2.336 0.01 . 95 13 11 PRO HG2 H 2.094 0.01 . 96 13 11 PRO HG3 H 2.009 0.01 . 97 13 11 PRO HD2 H 3.870 0.01 . 98 13 11 PRO HD3 H 3.546 0.01 . 99 13 11 PRO C C 179.030 0.2 . 100 13 11 PRO CA C 65.244 0.2 . 101 13 11 PRO CB C 30.809 0.2 . 102 13 11 PRO CG C 27.978 0.2 . 103 13 11 PRO CD C 50.193 0.2 . 104 14 12 LYS H H 6.685 0.01 . 105 14 12 LYS HA H 4.145 0.01 . 106 14 12 LYS HB2 H 1.848 0.01 . 107 14 12 LYS HB3 H 1.960 0.01 . 108 14 12 LYS HG2 H 1.667 0.01 . 109 14 12 LYS HG3 H 1.388 0.01 . 110 14 12 LYS HD2 H 1.736 0.01 . 111 14 12 LYS HD3 H 1.590 0.01 . 112 14 12 LYS HE2 H 2.988 0.01 . 113 14 12 LYS HE3 H 3.032 0.01 . 114 14 12 LYS C C 178.565 0.2 . 115 14 12 LYS CA C 59.433 0.2 . 116 14 12 LYS CB C 32.925 0.2 . 117 14 12 LYS CG C 25.110 0.2 . 118 14 12 LYS CD C 29.544 0.2 . 119 14 12 LYS CE C 42.077 0.2 . 120 14 12 LYS N N 117.855 0.1 . 121 15 13 LEU H H 8.148 0.01 . 122 15 13 LEU HA H 4.003 0.01 . 123 15 13 LEU HB2 H 1.315 0.01 . 124 15 13 LEU HB3 H 1.826 0.01 . 125 15 13 LEU HG H 1.639 0.01 . 126 15 13 LEU HD1 H 0.728 0.01 . 127 15 13 LEU HD2 H 0.711 0.01 . 128 15 13 LEU C C 178.662 0.2 . 129 15 13 LEU CA C 57.712 0.2 . 130 15 13 LEU CB C 41.999 0.2 . 131 15 13 LEU CG C 27.707 0.2 . 132 15 13 LEU CD1 C 26.496 0.2 . 133 15 13 LEU CD2 C 24.659 0.2 . 134 15 13 LEU N N 118.008 0.1 . 135 16 14 GLY H H 8.104 0.01 . 136 16 14 GLY HA2 H 3.616 0.01 . 137 16 14 GLY HA3 H 3.911 0.01 . 138 16 14 GLY C C 176.838 0.2 . 139 16 14 GLY CA C 47.365 0.2 . 140 16 14 GLY N N 103.895 0.1 . 141 17 15 GLU H H 7.817 0.01 . 142 17 15 GLU HA H 4.133 0.01 . 143 17 15 GLU HB2 H 2.152 0.01 . 144 17 15 GLU HB3 H 2.197 0.01 . 145 17 15 GLU HG2 H 2.402 0.01 . 146 17 15 GLU HG3 H 2.459 0.01 . 147 17 15 GLU C C 179.007 0.2 . 148 17 15 GLU CA C 58.811 0.2 . 149 17 15 GLU CB C 29.133 0.2 . 150 17 15 GLU CG C 36.009 0.2 . 151 17 15 GLU N N 121.655 0.1 . 152 18 16 LEU H H 7.389 0.01 . 153 18 16 LEU HA H 4.118 0.01 . 154 18 16 LEU HB2 H 1.410 0.01 . 155 18 16 LEU HB3 H 1.972 0.01 . 156 18 16 LEU HG H 1.834 0.01 . 157 18 16 LEU HD1 H 0.614 0.01 . 158 18 16 LEU HD2 H 0.786 0.01 . 159 18 16 LEU C C 177.658 0.2 . 160 18 16 LEU CA C 57.029 0.2 . 161 18 16 LEU CB C 41.670 0.2 . 162 18 16 LEU CG C 27.051 0.2 . 163 18 16 LEU CD1 C 23.614 0.2 . 164 18 16 LEU CD2 C 25.905 0.2 . 165 18 16 LEU N N 117.834 0.1 . 166 19 17 LEU H H 7.269 0.01 . 167 19 17 LEU HA H 4.162 0.01 . 168 19 17 LEU HB2 H 1.916 0.01 . 169 19 17 LEU HB3 H 1.632 0.01 . 170 19 17 LEU HG H 1.743 0.01 . 171 19 17 LEU HD1 H 0.863 0.01 . 172 19 17 LEU HD2 H 0.813 0.01 . 173 19 17 LEU C C 178.123 0.2 . 174 19 17 LEU CA C 55.852 0.2 . 175 19 17 LEU CB C 42.220 0.2 . 176 19 17 LEU CG C 26.483 0.2 . 177 19 17 LEU CD1 C 26.119 0.2 . 178 19 17 LEU CD2 C 23.171 0.2 . 179 19 17 LEU N N 113.694 0.1 . 180 20 18 VAL H H 7.356 0.01 . 181 20 18 VAL HA H 4.443 0.01 . 182 20 18 VAL HB H 2.314 0.01 . 183 20 18 VAL HG1 H 0.976 0.01 . 184 20 18 VAL HG2 H 0.937 0.01 . 185 20 18 VAL C C 177.021 0.2 . 186 20 18 VAL CA C 61.855 0.2 . 187 20 18 VAL CB C 32.778 0.2 . 188 20 18 VAL CG1 C 19.686 0.2 . 189 20 18 VAL CG2 C 21.314 0.2 . 190 20 18 VAL N N 112.778 0.1 . 191 21 19 GLY H H 7.925 0.01 . 192 21 19 GLY HA2 H 4.169 0.01 . 193 21 19 GLY HA3 H 3.807 0.01 . 194 21 19 GLY C C 173.813 0.2 . 195 21 19 GLY CA C 45.046 0.2 . 196 21 19 GLY N N 108.962 0.1 . 197 22 20 GLU H H 8.300 0.01 . 198 22 20 GLU HA H 4.278 0.01 . 199 22 20 GLU HB2 H 1.940 0.01 . 200 22 20 GLU HB3 H 1.748 0.01 . 201 22 20 GLU HG2 H 2.131 0.01 . 202 22 20 GLU HG3 H 2.131 0.01 . 203 22 20 GLU C C 175.869 0.2 . 204 22 20 GLU CA C 56.030 0.2 . 205 22 20 GLU CB C 28.681 0.2 . 206 22 20 GLU CG C 36.122 0.2 . 207 22 20 GLU N N 120.607 0.1 . 208 23 21 TYR H H 7.756 0.01 . 209 23 21 TYR HA H 4.557 0.01 . 210 23 21 TYR HB2 H 3.122 0.01 . 211 23 21 TYR HB3 H 2.749 0.01 . 212 23 21 TYR HD1 H 7.113 0.01 . 213 23 21 TYR HD2 H 7.113 0.01 . 214 23 21 TYR HE1 H 6.818 0.01 . 215 23 21 TYR HE2 H 6.818 0.01 . 216 23 21 TYR C C 175.264 0.2 . 217 23 21 TYR CA C 57.561 0.2 . 218 23 21 TYR CB C 39.246 0.2 . 219 23 21 TYR CD2 C 133.176 0.2 . 220 23 21 TYR CE2 C 118.193 0.2 . 221 23 21 TYR N N 120.738 0.1 . 222 24 22 LYS H H 8.692 0.01 . 223 24 22 LYS HA H 4.183 0.01 . 224 24 22 LYS HB2 H 1.824 0.01 . 225 24 22 LYS HB3 H 1.824 0.01 . 226 24 22 LYS HG2 H 1.380 0.01 . 227 24 22 LYS HG3 H 1.380 0.01 . 228 24 22 LYS HD2 H 1.670 0.01 . 229 24 22 LYS HD3 H 1.670 0.01 . 230 24 22 LYS HE2 H 2.968 0.01 . 231 24 22 LYS HE3 H 2.968 0.01 . 232 24 22 LYS C C 175.742 0.2 . 233 24 22 LYS CA C 56.118 0.2 . 234 24 22 LYS CB C 30.719 0.2 . 235 24 22 LYS CG C 24.611 0.2 . 236 24 22 LYS CD C 28.967 0.2 . 237 24 22 LYS CE C 41.743 0.2 . 238 24 22 LYS N N 122.095 0.1 . 239 25 23 LEU H H 8.088 0.01 . 240 25 23 LEU HA H 4.492 0.01 . 241 25 23 LEU HB2 H 1.693 0.01 . 242 25 23 LEU HB3 H 1.375 0.01 . 243 25 23 LEU HG H 1.743 0.01 . 244 25 23 LEU HD1 H 0.946 0.01 . 245 25 23 LEU HD2 H 0.908 0.01 . 246 25 23 LEU C C 177.487 0.2 . 247 25 23 LEU CA C 54.334 0.2 . 248 25 23 LEU CB C 43.758 0.2 . 249 25 23 LEU CG C 26.728 0.2 . 250 25 23 LEU CD1 C 25.642 0.2 . 251 25 23 LEU CD2 C 23.286 0.2 . 252 25 23 LEU N N 121.123 0.1 . 253 26 24 HIS H H 8.882 0.01 . 254 26 24 HIS HA H 4.501 0.01 . 255 26 24 HIS HB2 H 3.264 0.01 . 256 26 24 HIS HB3 H 3.180 0.01 . 257 26 24 HIS HD2 H 7.287 0.01 . 258 26 24 HIS HE1 H 8.120 0.01 . 259 26 24 HIS C C 176.716 0.2 . 260 26 24 HIS CA C 57.197 0.2 . 261 26 24 HIS CB C 31.357 0.2 . 262 26 24 HIS CD2 C 119.356 0.2 . 263 26 24 HIS CE1 C 137.529 0.2 . 264 26 24 HIS N N 122.993 0.1 . 265 27 25 LYS H H 8.699 0.01 . 266 27 25 LYS HA H 3.948 0.01 . 267 27 25 LYS HB2 H 1.792 0.01 . 268 27 25 LYS HB3 H 1.792 0.01 . 269 27 25 LYS HG2 H 1.510 0.01 . 270 27 25 LYS HG3 H 1.384 0.01 . 271 27 25 LYS HD2 H 1.690 0.01 . 272 27 25 LYS HD3 H 1.631 0.01 . 273 27 25 LYS HE2 H 3.031 0.01 . 274 27 25 LYS HE3 H 2.974 0.01 . 275 27 25 LYS C C 178.873 0.2 . 276 27 25 LYS CA C 60.011 0.2 . 277 27 25 LYS CB C 32.442 0.2 . 278 27 25 LYS CG C 24.705 0.2 . 279 27 25 LYS CD C 28.989 0.2 . 280 27 25 LYS CE C 42.519 0.2 . 281 27 25 LYS N N 124.894 0.1 . 282 28 26 GLY H H 9.814 0.01 . 283 28 26 GLY HA2 H 4.065 0.01 . 284 28 26 GLY HA3 H 3.927 0.01 . 285 28 26 GLY C C 176.131 0.2 . 286 28 26 GLY CA C 46.490 0.2 . 287 28 26 GLY N N 111.258 0.1 . 288 29 27 VAL H H 7.431 0.01 . 289 29 27 VAL HA H 3.892 0.01 . 290 29 27 VAL HB H 2.281 0.01 . 291 29 27 VAL HG1 H 1.034 0.01 . 292 29 27 VAL HG2 H 1.143 0.01 . 293 29 27 VAL C C 177.628 0.2 . 294 29 27 VAL CA C 65.520 0.2 . 295 29 27 VAL CB C 31.742 0.2 . 296 29 27 VAL CG1 C 21.772 0.2 . 297 29 27 VAL CG2 C 23.028 0.2 . 298 29 27 VAL N N 122.719 0.1 . 299 30 28 LYS H H 8.255 0.01 . 300 30 28 LYS HA H 3.635 0.01 . 301 30 28 LYS HB2 H 1.848 0.01 . 302 30 28 LYS HB3 H 1.750 0.01 . 303 30 28 LYS HG2 H 1.377 0.01 . 304 30 28 LYS HG3 H 1.252 0.01 . 305 30 28 LYS HE2 H 3.046 0.01 . 306 30 28 LYS HE3 H 3.046 0.01 . 307 30 28 LYS C C 177.666 0.2 . 308 30 28 LYS CA C 61.024 0.2 . 309 30 28 LYS CB C 32.405 0.2 . 310 30 28 LYS CG C 26.035 0.2 . 311 30 28 LYS N N 119.791 0.1 . 312 31 29 LYS H H 7.689 0.01 . 313 31 29 LYS HA H 4.116 0.01 . 314 31 29 LYS HB2 H 1.972 0.01 . 315 31 29 LYS HB3 H 1.913 0.01 . 316 31 29 LYS HG2 H 1.503 0.01 . 317 31 29 LYS HG3 H 1.418 0.01 . 318 31 29 LYS HD2 H 1.757 0.01 . 319 31 29 LYS HD3 H 1.671 0.01 . 320 31 29 LYS HE2 H 3.037 0.01 . 321 31 29 LYS HE3 H 2.984 0.01 . 322 31 29 LYS C C 177.784 0.2 . 323 31 29 LYS CA C 58.703 0.2 . 324 31 29 LYS CB C 31.845 0.2 . 325 31 29 LYS CG C 24.579 0.2 . 326 31 29 LYS CD C 28.349 0.2 . 327 31 29 LYS CE C 42.294 0.2 . 328 31 29 LYS N N 117.918 0.1 . 329 32 30 ASN H H 7.556 0.01 . 330 32 30 ASN HA H 4.520 0.01 . 331 32 30 ASN HB2 H 3.009 0.01 . 332 32 30 ASN HB3 H 2.622 0.01 . 333 32 30 ASN HD21 H 6.900 0.01 . 334 32 30 ASN HD22 H 7.745 0.01 . 335 32 30 ASN C C 177.764 0.2 . 336 32 30 ASN CA C 56.315 0.2 . 337 32 30 ASN CB C 38.632 0.2 . 338 32 30 ASN N N 116.347 0.1 . 339 32 30 ASN ND2 N 110.463 0.1 . 340 33 31 ILE H H 8.236 0.01 . 341 33 31 ILE HA H 3.282 0.01 . 342 33 31 ILE HB H 1.813 0.01 . 343 33 31 ILE HG12 H 1.348 0.01 . 344 33 31 ILE HG13 H 1.348 0.01 . 345 33 31 ILE HG2 H 0.662 0.01 . 346 33 31 ILE HD1 H 0.334 0.01 . 347 33 31 ILE C C 177.074 0.2 . 348 33 31 ILE CA C 65.888 0.2 . 349 33 31 ILE CB C 37.178 0.2 . 350 33 31 ILE CG1 C 28.801 0.2 . 351 33 31 ILE CG2 C 18.033 0.2 . 352 33 31 ILE CD1 C 13.889 0.2 . 353 33 31 ILE N N 120.592 0.1 . 354 34 32 GLU H H 8.551 0.01 . 355 34 32 GLU HA H 3.788 0.01 . 356 34 32 GLU HB2 H 2.276 0.01 . 357 34 32 GLU HB3 H 2.039 0.01 . 358 34 32 GLU HG2 H 2.461 0.01 . 359 34 32 GLU HG3 H 2.184 0.01 . 360 34 32 GLU C C 179.739 0.2 . 361 34 32 GLU CA C 60.239 0.2 . 362 34 32 GLU CB C 29.845 0.2 . 363 34 32 GLU CG C 37.534 0.2 . 364 34 32 GLU N N 120.595 0.1 . 365 35 33 ASP H H 8.670 0.01 . 366 35 33 ASP HA H 4.412 0.01 . 367 35 33 ASP HB2 H 2.865 0.01 . 368 35 33 ASP HB3 H 2.644 0.01 . 369 35 33 ASP C C 178.681 0.2 . 370 35 33 ASP CA C 57.462 0.2 . 371 35 33 ASP CB C 39.750 0.2 . 372 35 33 ASP N N 120.600 0.1 . 373 36 34 LEU H H 8.166 0.01 . 374 36 34 LEU HA H 4.095 0.01 . 375 36 34 LEU HB2 H 1.534 0.01 . 376 36 34 LEU HB3 H 1.912 0.01 . 377 36 34 LEU HD1 H 0.797 0.01 . 378 36 34 LEU HD2 H 0.797 0.01 . 379 36 34 LEU C C 178.035 0.2 . 380 36 34 LEU CA C 58.028 0.2 . 381 36 34 LEU CB C 41.876 0.2 . 382 36 34 LEU CD1 C 26.324 0.2 . 383 36 34 LEU CD2 C 26.324 0.2 . 384 36 34 LEU N N 123.004 0.1 . 385 37 35 LEU H H 8.736 0.01 . 386 37 35 LEU HA H 3.856 0.01 . 387 37 35 LEU HB2 H 1.861 0.01 . 388 37 35 LEU HB3 H 1.603 0.01 . 389 37 35 LEU HG H 1.551 0.01 . 390 37 35 LEU HD1 H 0.943 0.01 . 391 37 35 LEU HD2 H 0.894 0.01 . 392 37 35 LEU C C 178.128 0.2 . 393 37 35 LEU CA C 58.675 0.2 . 394 37 35 LEU CB C 42.155 0.2 . 395 37 35 LEU CG C 27.534 0.2 . 396 37 35 LEU CD1 C 25.885 0.2 . 397 37 35 LEU CD2 C 26.170 0.2 . 398 37 35 LEU N N 120.178 0.1 . 399 38 36 LYS H H 7.770 0.01 . 400 38 36 LYS HA H 3.933 0.01 . 401 38 36 LYS HB2 H 2.036 0.01 . 402 38 36 LYS HB3 H 2.036 0.01 . 403 38 36 LYS HG2 H 1.625 0.01 . 404 38 36 LYS HG3 H 1.436 0.01 . 405 38 36 LYS HD2 H 1.742 0.01 . 406 38 36 LYS HD3 H 1.530 0.01 . 407 38 36 LYS C C 179.533 0.2 . 408 38 36 LYS CA C 60.273 0.2 . 409 38 36 LYS CB C 32.277 0.2 . 410 38 36 LYS CG C 24.911 0.2 . 411 38 36 LYS CD C 29.292 0.2 . 412 38 36 LYS N N 118.110 0.1 . 413 39 37 GLU H H 7.709 0.01 . 414 39 37 GLU HA H 4.302 0.01 . 415 39 37 GLU HB2 H 2.034 0.01 . 416 39 37 GLU HB3 H 2.105 0.01 . 417 39 37 GLU HG2 H 2.403 0.01 . 418 39 37 GLU HG3 H 2.303 0.01 . 419 39 37 GLU C C 179.720 0.2 . 420 39 37 GLU CA C 58.758 0.2 . 421 39 37 GLU CB C 29.590 0.2 . 422 39 37 GLU CG C 35.224 0.2 . 423 39 37 GLU N N 119.265 0.1 . 424 40 38 LEU H H 8.851 0.01 . 425 40 38 LEU HA H 4.050 0.01 . 426 40 38 LEU HB2 H 1.990 0.01 . 427 40 38 LEU HB3 H 1.224 0.01 . 428 40 38 LEU HD1 H 0.753 0.01 . 429 40 38 LEU HD2 H 0.870 0.01 . 430 40 38 LEU C C 179.690 0.2 . 431 40 38 LEU CA C 57.651 0.2 . 432 40 38 LEU CB C 41.685 0.2 . 433 40 38 LEU CD1 C 27.040 0.2 . 434 40 38 LEU N N 119.007 0.1 . 435 41 39 LYS H H 8.482 0.01 . 436 41 39 LYS HA H 3.952 0.01 . 437 41 39 LYS HB2 H 1.944 0.01 . 438 41 39 LYS HB3 H 1.944 0.01 . 439 41 39 LYS HG2 H 1.747 0.01 . 440 41 39 LYS HG3 H 1.434 0.01 . 441 41 39 LYS HD2 H 1.664 0.01 . 442 41 39 LYS HD3 H 2.024 0.01 . 443 41 39 LYS C C 180.223 0.2 . 444 41 39 LYS CA C 60.891 0.2 . 445 41 39 LYS CB C 32.067 0.2 . 446 41 39 LYS CG C 26.426 0.2 . 447 41 39 LYS CD C 29.698 0.2 . 448 41 39 LYS N N 120.500 0.1 . 449 42 40 THR H H 7.863 0.01 . 450 42 40 THR HA H 4.000 0.01 . 451 42 40 THR HB H 4.366 0.01 . 452 42 40 THR HG2 H 1.272 0.01 . 453 42 40 THR C C 176.633 0.2 . 454 42 40 THR CA C 66.574 0.2 . 455 42 40 THR CB C 67.924 0.2 . 456 42 40 THR CG2 C 23.046 0.2 . 457 42 40 THR N N 119.555 0.1 . 458 43 41 MET H H 8.714 0.01 . 459 43 41 MET HA H 4.022 0.01 . 460 43 41 MET HB2 H 2.226 0.01 . 461 43 41 MET HB3 H 2.339 0.01 . 462 43 41 MET HG2 H 2.519 0.01 . 463 43 41 MET HG3 H 2.357 0.01 . 464 43 41 MET HE H 2.017 0.01 . 465 43 41 MET C C 177.290 0.2 . 466 43 41 MET CA C 59.731 0.2 . 467 43 41 MET CB C 33.610 0.2 . 468 43 41 MET CG C 33.022 0.2 . 469 43 41 MET CE C 18.874 0.2 . 470 43 41 MET N N 122.839 0.1 . 471 44 42 ASN H H 8.988 0.01 . 472 44 42 ASN HA H 4.374 0.01 . 473 44 42 ASN HB2 H 2.619 0.01 . 474 44 42 ASN HB3 H 2.896 0.01 . 475 44 42 ASN HD21 H 7.525 0.01 . 476 44 42 ASN HD22 H 6.736 0.01 . 477 44 42 ASN C C 176.297 0.2 . 478 44 42 ASN CA C 56.894 0.2 . 479 44 42 ASN CB C 39.406 0.2 . 480 44 42 ASN N N 118.049 0.1 . 481 44 42 ASN ND2 N 111.561 0.1 . 482 45 43 ALA H H 7.675 0.01 . 483 45 43 ALA HA H 4.066 0.01 . 484 45 43 ALA HB H 1.565 0.01 . 485 45 43 ALA C C 180.476 0.2 . 486 45 43 ALA CA C 55.268 0.2 . 487 45 43 ALA CB C 17.688 0.2 . 488 45 43 ALA N N 119.260 0.1 . 489 46 44 ALA H H 7.872 0.01 . 490 46 44 ALA HA H 4.116 0.01 . 491 46 44 ALA HB H 1.473 0.01 . 492 46 44 ALA C C 179.314 0.2 . 493 46 44 ALA CA C 54.986 0.2 . 494 46 44 ALA CB C 18.222 0.2 . 495 46 44 ALA N N 121.126 0.1 . 496 47 45 LEU H H 8.529 0.01 . 497 47 45 LEU HA H 4.191 0.01 . 498 47 45 LEU HB2 H 1.999 0.01 . 499 47 45 LEU HB3 H 1.727 0.01 . 500 47 45 LEU HG H 1.902 0.01 . 501 47 45 LEU HD1 H 0.959 0.01 . 502 47 45 LEU HD2 H 0.963 0.01 . 503 47 45 LEU C C 180.403 0.2 . 504 47 45 LEU CA C 58.046 0.2 . 505 47 45 LEU CB C 41.950 0.2 . 506 47 45 LEU CG C 26.773 0.2 . 507 47 45 LEU CD1 C 25.528 0.2 . 508 47 45 LEU CD2 C 24.266 0.2 . 509 47 45 LEU N N 119.328 0.1 . 510 48 46 ILE H H 8.386 0.01 . 511 48 46 ILE HA H 3.702 0.01 . 512 48 46 ILE HB H 1.862 0.01 . 513 48 46 ILE HG12 H 1.719 0.01 . 514 48 46 ILE HG13 H 1.100 0.01 . 515 48 46 ILE HG2 H 0.884 0.01 . 516 48 46 ILE HD1 H 0.804 0.01 . 517 48 46 ILE C C 178.730 0.2 . 518 48 46 ILE CA C 64.910 0.2 . 519 48 46 ILE CB C 37.912 0.2 . 520 48 46 ILE CG1 C 29.290 0.2 . 521 48 46 ILE CG2 C 16.997 0.2 . 522 48 46 ILE CD1 C 13.363 0.2 . 523 48 46 ILE N N 121.653 0.1 . 524 49 47 LYS H H 7.456 0.01 . 525 49 47 LYS HA H 4.043 0.01 . 526 49 47 LYS HB2 H 1.954 0.01 . 527 49 47 LYS HB3 H 1.881 0.01 . 528 49 47 LYS HG2 H 1.520 0.01 . 529 49 47 LYS HG3 H 1.434 0.01 . 530 49 47 LYS HD2 H 1.764 0.01 . 531 49 47 LYS HD3 H 1.670 0.01 . 532 49 47 LYS HE2 H 2.988 0.01 . 533 49 47 LYS HE3 H 2.988 0.01 . 534 49 47 LYS C C 179.999 0.2 . 535 49 47 LYS CA C 59.057 0.2 . 536 49 47 LYS CB C 31.961 0.2 . 537 49 47 LYS CG C 25.038 0.2 . 538 49 47 LYS CD C 28.944 0.2 . 539 49 47 LYS N N 119.896 0.1 . 540 50 48 ILE H H 8.154 0.01 . 541 50 48 ILE HA H 3.736 0.01 . 542 50 48 ILE HB H 1.905 0.01 . 543 50 48 ILE HG12 H 0.972 0.01 . 544 50 48 ILE HG13 H 1.530 0.01 . 545 50 48 ILE HG2 H 0.886 0.01 . 546 50 48 ILE HD1 H 0.673 0.01 . 547 50 48 ILE C C 177.960 0.2 . 548 50 48 ILE CA C 64.349 0.2 . 549 50 48 ILE CB C 38.132 0.2 . 550 50 48 ILE CG1 C 29.478 0.2 . 551 50 48 ILE CG2 C 17.128 0.2 . 552 50 48 ILE CD1 C 13.673 0.2 . 553 50 48 ILE N N 119.964 0.1 . 554 51 49 GLY H H 7.932 0.01 . 555 51 49 GLY HA2 H 4.057 0.01 . 556 51 49 GLY HA3 H 3.889 0.01 . 557 51 49 GLY C C 174.461 0.2 . 558 51 49 GLY CA C 45.909 0.2 . 559 51 49 GLY N N 106.709 0.1 . 560 52 50 GLU H H 7.597 0.01 . 561 52 50 GLU HA H 4.320 0.01 . 562 52 50 GLU HB2 H 2.168 0.01 . 563 52 50 GLU HB3 H 2.048 0.01 . 564 52 50 GLU HG2 H 2.512 0.01 . 565 52 50 GLU HG3 H 2.266 0.01 . 566 52 50 GLU C C 176.789 0.2 . 567 52 50 GLU CA C 56.274 0.2 . 568 52 50 GLU CB C 30.112 0.2 . 569 52 50 GLU CG C 36.453 0.2 . 570 52 50 GLU N N 118.736 0.1 . 571 53 51 VAL H H 7.511 0.01 . 572 53 51 VAL HA H 4.261 0.01 . 573 53 51 VAL HB H 2.146 0.01 . 574 53 51 VAL HG1 H 0.992 0.01 . 575 53 51 VAL HG2 H 0.990 0.01 . 576 53 51 VAL CA C 60.385 0.2 . 577 53 51 VAL CB C 32.822 0.2 . 578 53 51 VAL CG1 C 20.374 0.2 . 579 53 51 VAL CG2 C 21.058 0.2 . 580 53 51 VAL N N 122.982 0.1 . 581 54 52 PRO HA H 4.645 0.01 . 582 54 52 PRO HB2 H 2.437 0.01 . 583 54 52 PRO HB3 H 1.881 0.01 . 584 54 52 PRO HG2 H 2.091 0.01 . 585 54 52 PRO HG3 H 2.091 0.01 . 586 54 52 PRO HD2 H 4.017 0.01 . 587 54 52 PRO HD3 H 3.528 0.01 . 588 54 52 PRO CA C 61.578 0.2 . 589 54 52 PRO CB C 31.535 0.2 . 590 54 52 PRO CG C 28.734 0.2 . 591 54 52 PRO CD C 51.007 0.2 . 592 55 53 PRO HA H 4.191 0.01 . 593 55 53 PRO HB2 H 2.380 0.01 . 594 55 53 PRO HB3 H 2.021 0.01 . 595 55 53 PRO HG2 H 2.137 0.01 . 596 55 53 PRO HG3 H 2.094 0.01 . 597 55 53 PRO HD2 H 3.896 0.01 . 598 55 53 PRO HD3 H 3.803 0.01 . 599 55 53 PRO C C 178.258 0.2 . 600 55 53 PRO CA C 65.428 0.2 . 601 55 53 PRO CB C 31.846 0.2 . 602 55 53 PRO CG C 27.328 0.2 . 603 55 53 PRO CD C 50.438 0.2 . 604 56 54 ASP H H 8.489 0.01 . 605 56 54 ASP HA H 4.491 0.01 . 606 56 54 ASP HB2 H 2.747 0.01 . 607 56 54 ASP HB3 H 2.681 0.01 . 608 56 54 ASP C C 176.696 0.2 . 609 56 54 ASP CA C 55.138 0.2 . 610 56 54 ASP CB C 39.726 0.2 . 611 56 54 ASP N N 114.117 0.1 . 612 57 55 GLN H H 8.206 0.01 . 613 57 55 GLN HA H 4.374 0.01 . 614 57 55 GLN HB2 H 1.837 0.01 . 615 57 55 GLN HB3 H 2.328 0.01 . 616 57 55 GLN HG2 H 2.337 0.01 . 617 57 55 GLN HG3 H 2.337 0.01 . 618 57 55 GLN HE21 H 7.707 0.01 . 619 57 55 GLN HE22 H 6.847 0.01 . 620 57 55 GLN C C 175.765 0.2 . 621 57 55 GLN CA C 55.290 0.2 . 622 57 55 GLN CB C 29.646 0.2 . 623 57 55 GLN CG C 34.010 0.2 . 624 57 55 GLN N N 117.641 0.1 . 625 57 55 GLN NE2 N 112.540 0.1 . 626 58 56 LEU H H 7.152 0.01 . 627 58 56 LEU HA H 4.450 0.01 . 628 58 56 LEU HB2 H 1.610 0.01 . 629 58 56 LEU HB3 H 1.610 0.01 . 630 58 56 LEU HG H 1.696 0.01 . 631 58 56 LEU HD1 H 0.976 0.01 . 632 58 56 LEU HD2 H 0.875 0.01 . 633 58 56 LEU C C 176.849 0.2 . 634 58 56 LEU CA C 54.995 0.2 . 635 58 56 LEU CB C 43.231 0.2 . 636 58 56 LEU CG C 26.574 0.2 . 637 58 56 LEU CD1 C 25.208 0.2 . 638 58 56 LEU CD2 C 23.940 0.2 . 639 58 56 LEU N N 122.141 0.1 . 640 59 57 ASP H H 9.312 0.01 . 641 59 57 ASP HA H 4.719 0.01 . 642 59 57 ASP HB2 H 3.032 0.01 . 643 59 57 ASP HB3 H 2.749 0.01 . 644 59 57 ASP C C 177.249 0.2 . 645 59 57 ASP CA C 53.403 0.2 . 646 59 57 ASP CB C 42.232 0.2 . 647 59 57 ASP N N 125.643 0.1 . 648 60 58 SER H H 8.647 0.01 . 649 60 58 SER HA H 4.124 0.01 . 650 60 58 SER HB2 H 3.961 0.01 . 651 60 58 SER HB3 H 4.003 0.01 . 652 60 58 SER C C 176.840 0.2 . 653 60 58 SER CA C 61.722 0.2 . 654 60 58 SER CB C 62.815 0.2 . 655 60 58 SER N N 116.550 0.1 . 656 61 59 GLN H H 8.453 0.01 . 657 61 59 GLN HA H 4.131 0.01 . 658 61 59 GLN HB2 H 2.090 0.01 . 659 61 59 GLN HB3 H 2.090 0.01 . 660 61 59 GLN HG2 H 2.374 0.01 . 661 61 59 GLN HG3 H 2.299 0.01 . 662 61 59 GLN HE21 H 6.905 0.01 . 663 61 59 GLN HE22 H 7.596 0.01 . 664 61 59 GLN C C 178.629 0.2 . 665 61 59 GLN CA C 58.753 0.2 . 666 61 59 GLN CB C 28.253 0.2 . 667 61 59 GLN CG C 34.264 0.2 . 668 61 59 GLN N N 121.394 0.1 . 669 61 59 GLN NE2 N 112.969 0.1 . 670 62 60 ASP H H 8.311 0.01 . 671 62 60 ASP HA H 4.619 0.01 . 672 62 60 ASP HB2 H 2.981 0.01 . 673 62 60 ASP HB3 H 2.651 0.01 . 674 62 60 ASP C C 178.318 0.2 . 675 62 60 ASP CA C 57.462 0.2 . 676 62 60 ASP CB C 41.036 0.2 . 677 62 60 ASP N N 122.187 0.1 . 678 63 61 LYS H H 7.923 0.01 . 679 63 61 LYS HA H 4.009 0.01 . 680 63 61 LYS HB2 H 1.973 0.01 . 681 63 61 LYS HB3 H 1.859 0.01 . 682 63 61 LYS HG2 H 1.415 0.01 . 683 63 61 LYS HG3 H 1.361 0.01 . 684 63 61 LYS HD2 H 1.637 0.01 . 685 63 61 LYS HD3 H 1.566 0.01 . 686 63 61 LYS C C 178.765 0.2 . 687 63 61 LYS CA C 59.753 0.2 . 688 63 61 LYS CB C 32.453 0.2 . 689 63 61 LYS N N 120.325 0.1 . 690 64 62 LEU H H 7.820 0.01 . 691 64 62 LEU HA H 4.226 0.01 . 692 64 62 LEU HB2 H 1.728 0.01 . 693 64 62 LEU HB3 H 1.823 0.01 . 694 64 62 LEU HG H 1.797 0.01 . 695 64 62 LEU HD1 H 0.937 0.01 . 696 64 62 LEU HD2 H 0.937 0.01 . 697 64 62 LEU C C 179.526 0.2 . 698 64 62 LEU CA C 57.798 0.2 . 699 64 62 LEU CB C 41.775 0.2 . 700 64 62 LEU CG C 27.100 0.2 . 701 64 62 LEU CD1 C 23.669 0.2 . 702 64 62 LEU CD2 C 24.888 0.2 . 703 64 62 LEU N N 119.491 0.1 . 704 65 63 TRP H H 8.196 0.01 . 705 65 63 TRP HA H 4.308 0.01 . 706 65 63 TRP HB2 H 3.502 0.01 . 707 65 63 TRP HB3 H 3.427 0.01 . 708 65 63 TRP HD1 H 7.247 0.01 . 709 65 63 TRP HE1 H 10.216 0.01 . 710 65 63 TRP HE3 H 7.446 0.01 . 711 65 63 TRP HZ2 H 7.114 0.01 . 712 65 63 TRP HZ3 H 6.833 0.01 . 713 65 63 TRP HH2 H 7.055 0.01 . 714 65 63 TRP C C 177.379 0.2 . 715 65 63 TRP CA C 61.802 0.2 . 716 65 63 TRP CB C 28.411 0.2 . 717 65 63 TRP CD1 C 126.751 0.2 . 718 65 63 TRP CE3 C 120.607 0.2 . 719 65 63 TRP CZ2 C 114.042 0.2 . 720 65 63 TRP CZ3 C 121.482 0.2 . 721 65 63 TRP CH2 C 123.683 0.2 . 722 65 63 TRP N N 120.674 0.1 . 723 65 63 TRP NE1 N 129.099 0.1 . 724 66 64 ALA H H 8.305 0.01 . 725 66 64 ALA HA H 3.709 0.01 . 726 66 64 ALA HB H 1.539 0.01 . 727 66 64 ALA C C 180.376 0.2 . 728 66 64 ALA CA C 55.564 0.2 . 729 66 64 ALA CB C 17.654 0.2 . 730 66 64 ALA N N 120.606 0.1 . 731 67 65 ASP H H 7.945 0.01 . 732 67 65 ASP HA H 4.450 0.01 . 733 67 65 ASP HB2 H 2.931 0.01 . 734 67 65 ASP HB3 H 2.714 0.01 . 735 67 65 ASP C C 178.757 0.2 . 736 67 65 ASP CA C 57.492 0.2 . 737 67 65 ASP CB C 40.154 0.2 . 738 67 65 ASP N N 119.175 0.1 . 739 68 66 GLU H H 8.168 0.01 . 740 68 66 GLU HA H 4.015 0.01 . 741 68 66 GLU HB2 H 2.251 0.01 . 742 68 66 GLU HB3 H 1.974 0.01 . 743 68 66 GLU HG2 H 2.527 0.01 . 744 68 66 GLU HG3 H 2.154 0.01 . 745 68 66 GLU C C 180.055 0.2 . 746 68 66 GLU CA C 60.110 0.2 . 747 68 66 GLU CB C 29.647 0.2 . 748 68 66 GLU CG C 37.388 0.2 . 749 68 66 GLU N N 122.322 0.1 . 750 69 67 VAL H H 8.424 0.01 . 751 69 67 VAL HA H 3.252 0.01 . 752 69 67 VAL HB H 1.816 0.01 . 753 69 67 VAL HG1 H 0.694 0.01 . 754 69 67 VAL HG2 H 0.018 0.01 . 755 69 67 VAL C C 177.736 0.2 . 756 69 67 VAL CA C 66.539 0.2 . 757 69 67 VAL CB C 31.242 0.2 . 758 69 67 VAL CG1 C 22.338 0.2 . 759 69 67 VAL CG2 C 22.025 0.2 . 760 69 67 VAL N N 122.135 0.1 . 761 70 68 ARG H H 7.916 0.01 . 762 70 68 ARG HA H 3.692 0.01 . 763 70 68 ARG HB2 H 1.984 0.01 . 764 70 68 ARG HB3 H 1.984 0.01 . 765 70 68 ARG HG2 H 1.644 0.01 . 766 70 68 ARG HG3 H 1.386 0.01 . 767 70 68 ARG HD2 H 3.282 0.01 . 768 70 68 ARG HD3 H 3.282 0.01 . 769 70 68 ARG C C 179.117 0.2 . 770 70 68 ARG CA C 60.165 0.2 . 771 70 68 ARG CB C 29.654 0.2 . 772 70 68 ARG CG C 28.030 0.2 . 773 70 68 ARG CD C 43.339 0.2 . 774 70 68 ARG N N 121.373 0.1 . 775 71 69 GLU H H 8.031 0.01 . 776 71 69 GLU HA H 4.063 0.01 . 777 71 69 GLU HB2 H 2.087 0.01 . 778 71 69 GLU HB3 H 2.087 0.01 . 779 71 69 GLU HG2 H 2.402 0.01 . 780 71 69 GLU HG3 H 2.278 0.01 . 781 71 69 GLU C C 179.119 0.2 . 782 71 69 GLU CA C 59.687 0.2 . 783 71 69 GLU CB C 29.270 0.2 . 784 71 69 GLU CG C 36.215 0.2 . 785 71 69 GLU N N 119.075 0.1 . 786 72 70 LEU H H 8.175 0.01 . 787 72 70 LEU HA H 4.057 0.01 . 788 72 70 LEU HB2 H 1.910 0.01 . 789 72 70 LEU HB3 H 1.493 0.01 . 790 72 70 LEU HD1 H 0.848 0.01 . 791 72 70 LEU HD2 H 0.877 0.01 . 792 72 70 LEU C C 178.734 0.2 . 793 72 70 LEU CA C 57.422 0.2 . 794 72 70 LEU CB C 41.408 0.2 . 795 72 70 LEU CD1 C 22.612 0.2 . 796 72 70 LEU CD2 C 26.847 0.2 . 797 72 70 LEU N N 120.503 0.1 . 798 73 71 SER H H 8.411 0.01 . 799 73 71 SER HA H 3.824 0.01 . 800 73 71 SER HB2 H 3.687 0.01 . 801 73 71 SER HB3 H 3.687 0.01 . 802 73 71 SER C C 175.697 0.2 . 803 73 71 SER CA C 62.384 0.2 . 804 73 71 SER CB C 62.093 0.2 . 805 73 71 SER N N 115.243 0.1 . 806 74 72 TYR H H 7.314 0.01 . 807 74 72 TYR HA H 4.491 0.01 . 808 74 72 TYR HB2 H 3.296 0.01 . 809 74 72 TYR HB3 H 3.128 0.01 . 810 74 72 TYR HD1 H 7.233 0.01 . 811 74 72 TYR HD2 H 7.233 0.01 . 812 74 72 TYR HE1 H 6.773 0.01 . 813 74 72 TYR HE2 H 6.773 0.01 . 814 74 72 TYR C C 178.747 0.2 . 815 74 72 TYR CA C 60.435 0.2 . 816 74 72 TYR CB C 37.507 0.2 . 817 74 72 TYR CD2 C 133.256 0.2 . 818 74 72 TYR CE2 C 118.122 0.2 . 819 74 72 TYR N N 121.342 0.1 . 820 75 73 VAL H H 7.740 0.01 . 821 75 73 VAL HA H 3.861 0.01 . 822 75 73 VAL HB H 2.362 0.01 . 823 75 73 VAL HG1 H 1.171 0.01 . 824 75 73 VAL HG2 H 1.001 0.01 . 825 75 73 VAL C C 179.788 0.2 . 826 75 73 VAL CA C 66.048 0.2 . 827 75 73 VAL CB C 31.714 0.2 . 828 75 73 VAL CG1 C 21.851 0.2 . 829 75 73 VAL CG2 C 21.910 0.2 . 830 75 73 VAL N N 120.779 0.1 . 831 76 74 ILE H H 8.584 0.01 . 832 76 74 ILE HA H 3.700 0.01 . 833 76 74 ILE HB H 1.853 0.01 . 834 76 74 ILE HG2 H 0.907 0.01 . 835 76 74 ILE HD1 H 0.782 0.01 . 836 76 74 ILE C C 177.066 0.2 . 837 76 74 ILE CA C 65.919 0.2 . 838 76 74 ILE CB C 37.385 0.2 . 839 76 74 ILE CG2 C 18.646 0.2 . 840 76 74 ILE CD1 C 14.316 0.2 . 841 76 74 ILE N N 120.598 0.1 . 842 77 75 GLU H H 8.445 0.01 . 843 77 75 GLU HA H 3.649 0.01 . 844 77 75 GLU HB2 H 2.244 0.01 . 845 77 75 GLU HB3 H 2.064 0.01 . 846 77 75 GLU HG2 H 2.347 0.01 . 847 77 75 GLU HG3 H 2.087 0.01 . 848 77 75 GLU C C 177.502 0.2 . 849 77 75 GLU CA C 60.862 0.2 . 850 77 75 GLU CB C 29.352 0.2 . 851 77 75 GLU CG C 36.604 0.2 . 852 77 75 GLU N N 120.468 0.1 . 853 78 76 ASP H H 7.885 0.01 . 854 78 76 ASP HA H 4.391 0.01 . 855 78 76 ASP HB2 H 2.725 0.01 . 856 78 76 ASP HB3 H 2.637 0.01 . 857 78 76 ASP C C 177.382 0.2 . 858 78 76 ASP CA C 57.495 0.2 . 859 78 76 ASP CB C 41.935 0.2 . 860 78 76 ASP N N 117.382 0.1 . 861 79 77 ALA H H 7.754 0.01 . 862 79 77 ALA HA H 4.050 0.01 . 863 79 77 ALA HB H 1.390 0.01 . 864 79 77 ALA C C 181.193 0.2 . 865 79 77 ALA CA C 55.055 0.2 . 866 79 77 ALA CB C 18.420 0.2 . 867 79 77 ALA N N 120.171 0.1 . 868 80 78 VAL H H 8.635 0.01 . 869 80 78 VAL HA H 3.677 0.01 . 870 80 78 VAL HB H 2.247 0.01 . 871 80 78 VAL HG1 H 1.017 0.01 . 872 80 78 VAL HG2 H 0.965 0.01 . 873 80 78 VAL C C 177.096 0.2 . 874 80 78 VAL CA C 67.084 0.2 . 875 80 78 VAL CB C 31.443 0.2 . 876 80 78 VAL CG1 C 23.958 0.2 . 877 80 78 VAL CG2 C 21.877 0.2 . 878 80 78 VAL N N 119.541 0.1 . 879 81 79 ASP H H 8.575 0.01 . 880 81 79 ASP HA H 4.469 0.01 . 881 81 79 ASP HB2 H 2.893 0.01 . 882 81 79 ASP HB3 H 2.636 0.01 . 883 81 79 ASP C C 179.569 0.2 . 884 81 79 ASP CA C 57.929 0.2 . 885 81 79 ASP CB C 39.935 0.2 . 886 81 79 ASP N N 121.140 0.1 . 887 82 80 LYS H H 8.079 0.01 . 888 82 80 LYS HA H 4.021 0.01 . 889 82 80 LYS HB2 H 1.845 0.01 . 890 82 80 LYS HB3 H 1.784 0.01 . 891 82 80 LYS HG2 H 1.391 0.01 . 892 82 80 LYS HG3 H 1.618 0.01 . 893 82 80 LYS HD2 H 1.703 0.01 . 894 82 80 LYS HD3 H 1.581 0.01 . 895 82 80 LYS HE2 H 2.918 0.01 . 896 82 80 LYS HE3 H 2.918 0.01 . 897 82 80 LYS C C 178.890 0.2 . 898 82 80 LYS CA C 59.067 0.2 . 899 82 80 LYS CB C 32.587 0.2 . 900 82 80 LYS CG C 26.146 0.2 . 901 82 80 LYS CD C 28.973 0.2 . 902 82 80 LYS N N 118.159 0.1 . 903 83 81 PHE H H 8.015 0.01 . 904 83 81 PHE HA H 4.276 0.01 . 905 83 81 PHE HB2 H 3.333 0.01 . 906 83 81 PHE HB3 H 3.296 0.01 . 907 83 81 PHE HD1 H 7.199 0.01 . 908 83 81 PHE HD2 H 7.199 0.01 . 909 83 81 PHE HE1 H 7.216 0.01 . 910 83 81 PHE HE2 H 7.216 0.01 . 911 83 81 PHE HZ H 7.215 0.01 . 912 83 81 PHE C C 177.269 0.2 . 913 83 81 PHE CA C 60.943 0.2 . 914 83 81 PHE CB C 39.747 0.2 . 915 83 81 PHE CD1 C 131.633 0.2 . 916 83 81 PHE CE1 C 131.150 0.2 . 917 83 81 PHE CZ C 129.909 0.2 . 918 83 81 PHE N N 120.900 0.1 . 919 84 82 LEU H H 8.338 0.01 . 920 84 82 LEU HA H 3.942 0.01 . 921 84 82 LEU HB2 H 1.992 0.01 . 922 84 82 LEU HB3 H 1.544 0.01 . 923 84 82 LEU HG H 1.911 0.01 . 924 84 82 LEU HD1 H 0.958 0.01 . 925 84 82 LEU HD2 H 0.817 0.01 . 926 84 82 LEU C C 178.774 0.2 . 927 84 82 LEU CA C 57.170 0.2 . 928 84 82 LEU CB C 42.193 0.2 . 929 84 82 LEU CG C 27.178 0.2 . 930 84 82 LEU CD1 C 25.719 0.2 . 931 84 82 LEU CD2 C 23.170 0.2 . 932 84 82 LEU N N 118.209 0.1 . 933 85 83 VAL H H 7.447 0.01 . 934 85 83 VAL HA H 3.991 0.01 . 935 85 83 VAL HB H 2.204 0.01 . 936 85 83 VAL HG1 H 0.950 0.01 . 937 85 83 VAL HG2 H 1.046 0.01 . 938 85 83 VAL C C 177.252 0.2 . 939 85 83 VAL CA C 64.180 0.2 . 940 85 83 VAL CB C 31.890 0.2 . 941 85 83 VAL CG1 C 21.064 0.2 . 942 85 83 VAL CG2 C 21.436 0.2 . 943 85 83 VAL N N 116.078 0.1 . 944 86 84 ARG H H 7.598 0.01 . 945 86 84 ARG HA H 4.227 0.01 . 946 86 84 ARG HB2 H 1.809 0.01 . 947 86 84 ARG HB3 H 1.809 0.01 . 948 86 84 ARG HG2 H 1.642 0.01 . 949 86 84 ARG HG3 H 1.591 0.01 . 950 86 84 ARG HD2 H 3.141 0.01 . 951 86 84 ARG HD3 H 3.141 0.01 . 952 86 84 ARG C C 177.520 0.2 . 953 86 84 ARG CA C 57.059 0.2 . 954 86 84 ARG CB C 30.263 0.2 . 955 86 84 ARG CG C 27.384 0.2 . 956 86 84 ARG CD C 43.294 0.2 . 957 86 84 ARG N N 120.842 0.1 . 958 87 85 VAL H H 7.994 0.01 . 959 87 85 VAL HA H 3.825 0.01 . 960 87 85 VAL HB H 1.794 0.01 . 961 87 85 VAL HG1 H 0.670 0.01 . 962 87 85 VAL HG2 H 0.603 0.01 . 963 87 85 VAL C C 176.121 0.2 . 964 87 85 VAL CA C 63.438 0.2 . 965 87 85 VAL CB C 31.772 0.2 . 966 87 85 VAL CG1 C 21.042 0.2 . 967 87 85 VAL CG2 C 20.688 0.2 . 968 87 85 VAL N N 119.293 0.1 . 969 88 86 HIS H H 7.969 0.01 . 970 88 86 HIS HA H 4.637 0.01 . 971 88 86 HIS HB2 H 3.285 0.01 . 972 88 86 HIS HB3 H 3.080 0.01 . 973 88 86 HIS HD2 H 7.165 0.01 . 974 88 86 HIS HE1 H 8.149 0.01 . 975 88 86 HIS C C 175.639 0.2 . 976 88 86 HIS CA C 56.351 0.2 . 977 88 86 HIS CB C 29.681 0.2 . 978 88 86 HIS CD2 C 120.113 0.2 . 979 88 86 HIS CE1 C 137.556 0.2 . 980 88 86 HIS N N 120.016 0.1 . 981 89 87 GLY H H 8.083 0.01 . 982 89 87 GLY HA2 H 4.091 0.01 . 983 89 87 GLY HA3 H 3.934 0.01 . 984 89 87 GLY C C 173.730 0.2 . 985 89 87 GLY CA C 45.169 0.2 . 986 89 87 GLY N N 109.587 0.1 . 987 90 88 VAL H H 7.944 0.01 . 988 90 88 VAL HA H 4.138 0.01 . 989 90 88 VAL HB H 2.139 0.01 . 990 90 88 VAL HG1 H 0.987 0.01 . 991 90 88 VAL HG2 H 0.914 0.01 . 992 90 88 VAL C C 176.018 0.2 . 993 90 88 VAL CA C 62.425 0.2 . 994 90 88 VAL CB C 32.616 0.2 . 995 90 88 VAL CG1 C 21.333 0.2 . 996 90 88 VAL CG2 C 20.367 0.2 . 997 90 88 VAL N N 118.224 0.1 . 998 91 89 GLU H H 8.423 0.01 . 999 91 89 GLU HA H 4.606 0.01 . 1000 91 89 GLU HB2 H 2.064 0.01 . 1001 91 89 GLU HB3 H 1.882 0.01 . 1002 91 89 GLU HG2 H 2.286 0.01 . 1003 91 89 GLU HG3 H 2.286 0.01 . 1004 91 89 GLU CA C 54.176 0.2 . 1005 91 89 GLU CB C 29.760 0.2 . 1006 91 89 GLU CG C 35.861 0.2 . 1007 91 89 GLU N N 124.313 0.1 . 1008 92 90 PRO HA H 4.337 0.01 . 1009 92 90 PRO HB2 H 2.200 0.01 . 1010 92 90 PRO HB3 H 1.908 0.01 . 1011 92 90 PRO HG2 H 2.007 0.01 . 1012 92 90 PRO HG3 H 1.933 0.01 . 1013 92 90 PRO HD2 H 3.700 0.01 . 1014 92 90 PRO HD3 H 3.744 0.01 . 1015 92 90 PRO C C 176.504 0.2 . 1016 92 90 PRO CA C 63.372 0.2 . 1017 92 90 PRO CB C 32.167 0.2 . 1018 92 90 PRO CG C 27.396 0.2 . 1019 92 90 PRO CD C 50.561 0.2 . 1020 93 91 ASP H H 8.286 0.01 . 1021 93 91 ASP HA H 4.572 0.01 . 1022 93 91 ASP HB2 H 2.702 0.01 . 1023 93 91 ASP HB3 H 2.653 0.01 . 1024 93 91 ASP CA C 53.970 0.2 . 1025 93 91 ASP CB C 41.515 0.2 . 1026 93 91 ASP N N 120.275 0.1 . 1027 94 92 ASP H H 8.259 0.01 . 1028 94 92 ASP HA H 4.565 0.01 . 1029 94 92 ASP HB2 H 2.742 0.01 . 1030 94 92 ASP HB3 H 2.666 0.01 . 1031 94 92 ASP C C 176.474 0.2 . 1032 94 92 ASP CA C 54.373 0.2 . 1033 94 92 ASP CB C 41.225 0.2 . 1034 94 92 ASP N N 121.181 0.1 . 1035 95 93 ASN H H 8.474 0.01 . 1036 95 93 ASN HA H 4.694 0.01 . 1037 95 93 ASN HB2 H 2.872 0.01 . 1038 95 93 ASN HB3 H 2.810 0.01 . 1039 95 93 ASN HD21 H 7.609 0.01 . 1040 95 93 ASN HD22 H 6.845 0.01 . 1041 95 93 ASN C C 176.272 0.2 . 1042 95 93 ASN CA C 53.986 0.2 . 1043 95 93 ASN CB C 38.729 0.2 . 1044 95 93 ASN N N 118.728 0.1 . 1045 95 93 ASN ND2 N 112.922 0.1 . 1046 96 94 THR H H 8.263 0.01 . 1047 96 94 THR HA H 4.220 0.01 . 1048 96 94 THR HB H 4.235 0.01 . 1049 96 94 THR HG2 H 1.157 0.01 . 1050 96 94 THR C C 175.107 0.2 . 1051 96 94 THR CA C 63.200 0.2 . 1052 96 94 THR CB C 69.475 0.2 . 1053 96 94 THR CG2 C 21.671 0.2 . 1054 96 94 THR N N 113.868 0.1 . 1055 97 95 ASN H H 8.431 0.01 . 1056 97 95 ASN HA H 4.616 0.01 . 1057 97 95 ASN HB2 H 2.864 0.01 . 1058 97 95 ASN HB3 H 2.685 0.01 . 1059 97 95 ASN HD21 H 7.031 0.01 . 1060 97 95 ASN HD22 H 7.739 0.01 . 1061 97 95 ASN C C 176.275 0.2 . 1062 97 95 ASN CA C 53.956 0.2 . 1063 97 95 ASN CB C 38.692 0.2 . 1064 97 95 ASN N N 119.954 0.1 . 1065 97 95 ASN ND2 N 113.644 0.1 . 1066 98 96 GLY H H 8.338 0.01 . 1067 98 96 GLY HA2 H 3.934 0.01 . 1068 98 96 GLY HA3 H 3.783 0.01 . 1069 98 96 GLY C C 175.533 0.2 . 1070 98 96 GLY CA C 46.011 0.2 . 1071 98 96 GLY N N 108.847 0.1 . 1072 99 97 PHE H H 8.370 0.01 . 1073 99 97 PHE HA H 4.248 0.01 . 1074 99 97 PHE HB2 H 2.987 0.01 . 1075 99 97 PHE HB3 H 3.024 0.01 . 1076 99 97 PHE HD1 H 6.991 0.01 . 1077 99 97 PHE HD2 H 6.991 0.01 . 1078 99 97 PHE HE1 H 6.615 0.01 . 1079 99 97 PHE HE2 H 6.615 0.01 . 1080 99 97 PHE HZ H 6.547 0.01 . 1081 99 97 PHE CA C 60.959 0.2 . 1082 99 97 PHE CB C 38.159 0.2 . 1083 99 97 PHE CD1 C 130.856 0.2 . 1084 99 97 PHE CE1 C 130.425 0.2 . 1085 99 97 PHE CZ C 128.778 0.2 . 1086 99 97 PHE N N 118.492 0.1 . 1087 100 98 LYS H H 8.256 0.01 . 1088 100 98 LYS N N 120.987 0.1 . 1089 101 99 GLY H H 8.300 0.01 . 1090 101 99 GLY HA2 H 3.853 0.01 . 1091 101 99 GLY HA3 H 3.963 0.01 . 1092 101 99 GLY C C 177.075 0.2 . 1093 101 99 GLY CA C 46.902 0.2 . 1094 101 99 GLY N N 108.186 0.1 . 1095 102 100 LEU H H 7.777 0.01 . 1096 102 100 LEU HA H 4.097 0.01 . 1097 102 100 LEU HB2 H 1.288 0.01 . 1098 102 100 LEU HD1 H 0.779 0.01 . 1099 102 100 LEU HD2 H 0.773 0.01 . 1100 102 100 LEU C C 179.836 0.2 . 1101 102 100 LEU CA C 57.358 0.2 . 1102 102 100 LEU CB C 41.770 0.2 . 1103 102 100 LEU CD1 C 25.571 0.2 . 1104 102 100 LEU CD2 C 22.876 0.2 . 1105 102 100 LEU N N 121.439 0.1 . 1106 103 101 MET H H 8.409 0.01 . 1107 103 101 MET HA H 4.220 0.01 . 1108 103 101 MET HB2 H 2.555 0.01 . 1109 103 101 MET HB3 H 2.555 0.01 . 1110 103 101 MET HG2 H 2.438 0.01 . 1111 103 101 MET HG3 H 2.163 0.01 . 1112 103 101 MET HE H 2.068 0.01 . 1113 103 101 MET C C 177.739 0.2 . 1114 103 101 MET CA C 58.739 0.2 . 1115 103 101 MET CB C 31.895 0.2 . 1116 103 101 MET CG C 31.895 0.2 . 1117 103 101 MET CE C 17.536 0.2 . 1118 103 101 MET N N 122.290 0.1 . 1119 104 102 LYS H H 7.916 0.01 . 1120 104 102 LYS HA H 4.067 0.01 . 1121 104 102 LYS HB2 H 1.995 0.01 . 1122 104 102 LYS HB3 H 1.999 0.01 . 1123 104 102 LYS HG2 H 1.492 0.01 . 1124 104 102 LYS HG3 H 1.420 0.01 . 1125 104 102 LYS HD2 H 1.710 0.01 . 1126 104 102 LYS HD3 H 1.629 0.01 . 1127 104 102 LYS HE2 H 3.022 0.01 . 1128 104 102 LYS HE3 H 3.022 0.01 . 1129 104 102 LYS C C 179.301 0.2 . 1130 104 102 LYS CA C 59.764 0.2 . 1131 104 102 LYS CB C 32.047 0.2 . 1132 104 102 LYS CG C 25.204 0.2 . 1133 104 102 LYS CD C 29.277 0.2 . 1134 104 102 LYS CE C 42.339 0.2 . 1135 104 102 LYS N N 119.750 0.1 . 1136 105 103 ARG H H 7.719 0.01 . 1137 105 103 ARG HA H 4.026 0.01 . 1138 105 103 ARG HB2 H 1.918 0.01 . 1139 105 103 ARG HB3 H 1.918 0.01 . 1140 105 103 ARG HG2 H 1.634 0.01 . 1141 105 103 ARG HG3 H 1.634 0.01 . 1142 105 103 ARG HD2 H 2.943 0.01 . 1143 105 103 ARG HD3 H 3.230 0.01 . 1144 105 103 ARG C C 178.777 0.2 . 1145 105 103 ARG CA C 59.364 0.2 . 1146 105 103 ARG CB C 30.997 0.2 . 1147 105 103 ARG CG C 27.061 0.2 . 1148 105 103 ARG CD C 44.065 0.2 . 1149 105 103 ARG N N 117.967 0.1 . 1150 106 104 THR H H 8.152 0.01 . 1151 106 104 THR HA H 4.301 0.01 . 1152 106 104 THR HB H 3.703 0.01 . 1153 106 104 THR HG2 H 1.075 0.01 . 1154 106 104 THR C C 176.254 0.2 . 1155 106 104 THR CA C 67.860 0.2 . 1156 106 104 THR CB C 67.860 0.2 . 1157 106 104 THR CG2 C 21.732 0.2 . 1158 106 104 THR N N 117.211 0.1 . 1159 107 105 THR H H 8.651 0.01 . 1160 107 105 THR HA H 3.971 0.01 . 1161 107 105 THR HB H 4.128 0.01 . 1162 107 105 THR HG2 H 1.288 0.01 . 1163 107 105 THR C C 176.780 0.2 . 1164 107 105 THR CA C 66.822 0.2 . 1165 107 105 THR CB C 68.818 0.2 . 1166 107 105 THR CG2 C 22.038 0.2 . 1167 107 105 THR N N 117.939 0.1 . 1168 108 106 LYS H H 7.694 0.01 . 1169 108 106 LYS HA H 4.022 0.01 . 1170 108 106 LYS HB2 H 1.965 0.01 . 1171 108 106 LYS HB3 H 1.852 0.01 . 1172 108 106 LYS HG2 H 1.410 0.01 . 1173 108 106 LYS HG3 H 1.475 0.01 . 1174 108 106 LYS HD2 H 1.682 0.01 . 1175 108 106 LYS HD3 H 1.704 0.01 . 1176 108 106 LYS HE2 H 2.944 0.01 . 1177 108 106 LYS HE3 H 2.974 0.01 . 1178 108 106 LYS C C 179.045 0.2 . 1179 108 106 LYS CA C 59.834 0.2 . 1180 108 106 LYS CB C 32.473 0.2 . 1181 108 106 LYS CG C 25.218 0.2 . 1182 108 106 LYS CD C 29.533 0.2 . 1183 108 106 LYS CE C 42.094 0.2 . 1184 108 106 LYS N N 120.867 0.1 . 1185 109 107 LEU H H 7.559 0.01 . 1186 109 107 LEU HA H 4.321 0.01 . 1187 109 107 LEU HB2 H 1.786 0.01 . 1188 109 107 LEU HB3 H 1.631 0.01 . 1189 109 107 LEU HD1 H 0.829 0.01 . 1190 109 107 LEU HD2 H 0.760 0.01 . 1191 109 107 LEU C C 179.974 0.2 . 1192 109 107 LEU CA C 57.593 0.2 . 1193 109 107 LEU CB C 41.860 0.2 . 1194 109 107 LEU CD1 C 24.965 0.2 . 1195 109 107 LEU CD2 C 24.878 0.2 . 1196 109 107 LEU N N 119.472 0.1 . 1197 110 108 LEU H H 8.567 0.01 . 1198 110 108 LEU HA H 4.191 0.01 . 1199 110 108 LEU HB2 H 1.906 0.01 . 1200 110 108 LEU HB3 H 1.727 0.01 . 1201 110 108 LEU HG H 1.725 0.01 . 1202 110 108 LEU HD1 H 0.944 0.01 . 1203 110 108 LEU HD2 H 0.907 0.01 . 1204 110 108 LEU C C 178.101 0.2 . 1205 110 108 LEU CA C 57.892 0.2 . 1206 110 108 LEU CB C 41.884 0.2 . 1207 110 108 LEU CG C 27.147 0.2 . 1208 110 108 LEU CD1 C 24.660 0.2 . 1209 110 108 LEU CD2 C 24.287 0.2 . 1210 110 108 LEU N N 121.832 0.1 . 1211 111 109 LYS H H 7.965 0.01 . 1212 111 109 LYS HA H 3.979 0.01 . 1213 111 109 LYS HB2 H 1.918 0.01 . 1214 111 109 LYS HB3 H 1.918 0.01 . 1215 111 109 LYS HG2 H 1.580 0.01 . 1216 111 109 LYS HG3 H 1.464 0.01 . 1217 111 109 LYS HD2 H 1.630 0.01 . 1218 111 109 LYS HD3 H 1.630 0.01 . 1219 111 109 LYS HE2 H 2.991 0.01 . 1220 111 109 LYS HE3 H 2.991 0.01 . 1221 111 109 LYS C C 177.677 0.2 . 1222 111 109 LYS CA C 58.785 0.2 . 1223 111 109 LYS CB C 32.209 0.2 . 1224 111 109 LYS CG C 25.180 0.2 . 1225 111 109 LYS CD C 28.935 0.2 . 1226 111 109 LYS N N 117.972 0.1 . 1227 112 110 LYS H H 7.334 0.01 . 1228 112 110 LYS HA H 4.110 0.01 . 1229 112 110 LYS HB2 H 1.989 0.01 . 1230 112 110 LYS HB3 H 1.883 0.01 . 1231 112 110 LYS HG2 H 1.477 0.01 . 1232 112 110 LYS HG3 H 1.477 0.01 . 1233 112 110 LYS HD2 H 1.738 0.01 . 1234 112 110 LYS HD3 H 1.671 0.01 . 1235 112 110 LYS HE2 H 2.962 0.01 . 1236 112 110 LYS HE3 H 2.962 0.01 . 1237 112 110 LYS C C 178.270 0.2 . 1238 112 110 LYS CA C 58.951 0.2 . 1239 112 110 LYS CB C 32.791 0.2 . 1240 112 110 LYS CG C 25.504 0.2 . 1241 112 110 LYS CD C 29.576 0.2 . 1242 112 110 LYS CE C 42.016 0.2 . 1243 112 110 LYS N N 115.433 0.1 . 1244 113 111 VAL H H 7.298 0.01 . 1245 113 111 VAL HA H 3.831 0.01 . 1246 113 111 VAL HB H 1.513 0.01 . 1247 113 111 VAL HG1 H 0.437 0.01 . 1248 113 111 VAL HG2 H 0.362 0.01 . 1249 113 111 VAL C C 176.999 0.2 . 1250 113 111 VAL CA C 63.505 0.2 . 1251 113 111 VAL CB C 32.287 0.2 . 1252 113 111 VAL CG1 C 20.204 0.2 . 1253 113 111 VAL CG2 C 21.143 0.2 . 1254 113 111 VAL N N 114.861 0.1 . 1255 114 112 VAL H H 7.855 0.01 . 1256 114 112 VAL HA H 3.722 0.01 . 1257 114 112 VAL HB H 2.081 0.01 . 1258 114 112 VAL HG1 H 0.961 0.01 . 1259 114 112 VAL HG2 H 0.914 0.01 . 1260 114 112 VAL C C 177.737 0.2 . 1261 114 112 VAL CA C 65.224 0.2 . 1262 114 112 VAL CB C 31.753 0.2 . 1263 114 112 VAL CG1 C 21.452 0.2 . 1264 114 112 VAL CG2 C 21.134 0.2 . 1265 114 112 VAL N N 121.457 0.1 . 1266 115 113 ASP H H 8.311 0.01 . 1267 115 113 ASP HA H 4.455 0.01 . 1268 115 113 ASP HB2 H 2.665 0.01 . 1269 115 113 ASP HB3 H 2.630 0.01 . 1270 115 113 ASP C C 177.380 0.2 . 1271 115 113 ASP CA C 55.921 0.2 . 1272 115 113 ASP CB C 40.372 0.2 . 1273 115 113 ASP N N 120.804 0.1 . 1274 116 114 LYS H H 7.639 0.01 . 1275 116 114 LYS HA H 4.095 0.01 . 1276 116 114 LYS HB2 H 1.779 0.01 . 1277 116 114 LYS HB3 H 1.626 0.01 . 1278 116 114 LYS HG2 H 1.185 0.01 . 1279 116 114 LYS HG3 H 0.878 0.01 . 1280 116 114 LYS HD2 H 1.551 0.01 . 1281 116 114 LYS HD3 H 1.593 0.01 . 1282 116 114 LYS HE2 H 2.879 0.01 . 1283 116 114 LYS HE3 H 2.879 0.01 . 1284 116 114 LYS C C 177.077 0.2 . 1285 116 114 LYS CA C 57.711 0.2 . 1286 116 114 LYS CB C 33.488 0.2 . 1287 116 114 LYS CG C 24.576 0.2 . 1288 116 114 LYS CE C 42.107 0.2 . 1289 116 114 LYS N N 119.582 0.1 . 1290 117 115 HIS H H 8.108 0.01 . 1291 117 115 HIS HA H 4.625 0.01 . 1292 117 115 HIS HB2 H 3.233 0.01 . 1293 117 115 HIS HB3 H 2.914 0.01 . 1294 117 115 HIS HD2 H 6.974 0.01 . 1295 117 115 HIS HE1 H 8.008 0.01 . 1296 117 115 HIS C C 175.497 0.2 . 1297 117 115 HIS CA C 56.175 0.2 . 1298 117 115 HIS CB C 30.475 0.2 . 1299 117 115 HIS CD2 C 119.338 0.2 . 1300 117 115 HIS CE1 C 138.540 0.2 . 1301 117 115 HIS N N 115.246 0.1 . 1302 118 116 GLY H H 8.153 0.01 . 1303 118 116 GLY HA2 H 3.963 0.01 . 1304 118 116 GLY HA3 H 3.889 0.01 . 1305 118 116 GLY C C 174.093 0.2 . 1306 118 116 GLY CA C 46.064 0.2 . 1307 118 116 GLY N N 109.944 0.1 . 1308 119 117 ILE H H 7.828 0.01 . 1309 119 117 ILE HA H 4.122 0.01 . 1310 119 117 ILE HB H 1.892 0.01 . 1311 119 117 ILE HG12 H 1.405 0.01 . 1312 119 117 ILE HG13 H 1.127 0.01 . 1313 119 117 ILE HG2 H 0.885 0.01 . 1314 119 117 ILE HD1 H 0.802 0.01 . 1315 119 117 ILE C C 174.777 0.2 . 1316 119 117 ILE CA C 61.101 0.2 . 1317 119 117 ILE CB C 38.631 0.2 . 1318 119 117 ILE CG1 C 27.404 0.2 . 1319 119 117 ILE CG2 C 17.705 0.2 . 1320 119 117 ILE CD1 C 13.018 0.2 . 1321 119 117 ILE N N 118.468 0.1 . 1322 120 118 ALA H H 7.881 0.01 . 1323 120 118 ALA HA H 4.118 0.01 . 1324 120 118 ALA HB H 1.302 0.01 . 1325 120 118 ALA CA C 53.707 0.2 . 1326 120 118 ALA CB C 20.371 0.2 . 1327 120 118 ALA N N 133.298 0.1 . stop_ save_