data_15322 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Chemotaxis Protein CheW ; _BMRB_accession_number 15322 _BMRB_flat_file_name bmr15322.str _Entry_type original _Submission_date 2007-06-21 _Accession_date 2007-06-21 _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 Jin Changwen . . 2 Li You . . 3 Fu Wenyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 884 "13C chemical shifts" 669 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-29 original author . stop_ _Original_release_date 2008-02-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the bacterial chemotaxis adaptor protein CheW from Escherichia coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17631272 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li You . . 2 Hu Yunfei . . 3 Fu Wenyu . . 4 Xia Bin . . 5 Jin Changwen . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 360 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 863 _Page_last 867 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $chemotaxis_protein_CheW 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_chemotaxis_protein_CheW _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common chemotaxis_protein_CheW _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MTGMTNVTKLASEPSGQEFL VFTLGDEEYGIDILKVQEIR GYDQVTRIANTPAFIKGVTN LRGVIVPIVDLRIKFSQVDV DYNDNTVVIVLNLGQRVVGI VVDGVSDVLSLTAEQIRPAP EFAVTLSTEYLTGLGALGDR MLILVNIEKLLNSEEMALLD SAASEVA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLY 4 MET 5 THR 6 ASN 7 VAL 8 THR 9 LYS 10 LEU 11 ALA 12 SER 13 GLU 14 PRO 15 SER 16 GLY 17 GLN 18 GLU 19 PHE 20 LEU 21 VAL 22 PHE 23 THR 24 LEU 25 GLY 26 ASP 27 GLU 28 GLU 29 TYR 30 GLY 31 ILE 32 ASP 33 ILE 34 LEU 35 LYS 36 VAL 37 GLN 38 GLU 39 ILE 40 ARG 41 GLY 42 TYR 43 ASP 44 GLN 45 VAL 46 THR 47 ARG 48 ILE 49 ALA 50 ASN 51 THR 52 PRO 53 ALA 54 PHE 55 ILE 56 LYS 57 GLY 58 VAL 59 THR 60 ASN 61 LEU 62 ARG 63 GLY 64 VAL 65 ILE 66 VAL 67 PRO 68 ILE 69 VAL 70 ASP 71 LEU 72 ARG 73 ILE 74 LYS 75 PHE 76 SER 77 GLN 78 VAL 79 ASP 80 VAL 81 ASP 82 TYR 83 ASN 84 ASP 85 ASN 86 THR 87 VAL 88 VAL 89 ILE 90 VAL 91 LEU 92 ASN 93 LEU 94 GLY 95 GLN 96 ARG 97 VAL 98 VAL 99 GLY 100 ILE 101 VAL 102 VAL 103 ASP 104 GLY 105 VAL 106 SER 107 ASP 108 VAL 109 LEU 110 SER 111 LEU 112 THR 113 ALA 114 GLU 115 GLN 116 ILE 117 ARG 118 PRO 119 ALA 120 PRO 121 GLU 122 PHE 123 ALA 124 VAL 125 THR 126 LEU 127 SER 128 THR 129 GLU 130 TYR 131 LEU 132 THR 133 GLY 134 LEU 135 GLY 136 ALA 137 LEU 138 GLY 139 ASP 140 ARG 141 MET 142 LEU 143 ILE 144 LEU 145 VAL 146 ASN 147 ILE 148 GLU 149 LYS 150 LEU 151 LEU 152 ASN 153 SER 154 GLU 155 GLU 156 MET 157 ALA 158 LEU 159 LEU 160 ASP 161 SER 162 ALA 163 ALA 164 SER 165 GLU 166 VAL 167 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2HO9 "Solution Structure Of Chemotaxi Protein Chew From Escherichia Coli" 100.00 167 100.00 100.00 2.12e-112 DBJ BAA15703 "purine-binding chemotaxis protein [Escherichia coli str. K12 substr. W3110]" 100.00 167 100.00 100.00 2.12e-112 DBJ BAB36020 "positive regulator of CheA protein activity [Escherichia coli O157:H7 str. Sakai]" 100.00 167 100.00 100.00 2.12e-112 DBJ BAG77646 "positive regulator of CheA protein activity [Escherichia coli SE11]" 100.00 167 100.00 100.00 2.12e-112 DBJ BAI25978 "purine-binding chemotaxis protein CheW [Escherichia coli O26:H11 str. 11368]" 100.00 167 100.00 100.00 2.12e-112 DBJ BAI30941 "purine-binding chemotaxis protein CheW [Escherichia coli O103:H2 str. 12009]" 100.00 167 100.00 100.00 2.12e-112 EMBL CAP76375 "chemotaxis protein cheW [Escherichia coli LF82]" 100.00 167 100.00 100.00 2.12e-112 EMBL CAQ32364 "cheW, subunit of MCP-I, MCP-IV, MCP-III and MCP-II [Escherichia coli BL21(DE3)]" 100.00 167 100.00 100.00 2.12e-112 EMBL CAQ98827 "purine-binding chemotaxis protein [Escherichia coli IAI1]" 100.00 167 100.00 100.00 2.12e-112 EMBL CAR03246 "purine-binding chemotaxis protein [Escherichia coli S88]" 100.00 167 100.00 100.00 2.12e-112 EMBL CAR08346 "purine-binding chemotaxis protein [Escherichia coli ED1a]" 100.00 167 98.80 98.80 4.49e-110 GB AAA23565 "cheW protein [Escherichia coli]" 100.00 167 100.00 100.00 2.12e-112 GB AAC74957 "purine-binding chemotaxis protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 167 100.00 100.00 2.12e-112 GB AAG56877 "positive regulator of CheA protein activity [Escherichia coli O157:H7 str. EDL933]" 100.00 167 99.40 99.40 1.97e-111 GB AAN43489 "positive regulator of CheA protein activity [Shigella flexneri 2a str. 301]" 100.00 167 100.00 100.00 2.12e-112 GB AAN80761 "Chemotaxis protein cheW [Escherichia coli CFT073]" 100.00 167 100.00 100.00 2.12e-112 PIR A85802 "positive regulator of CheA protein activity [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 167 99.40 99.40 1.97e-111 REF NP_310624 "purine-binding chemotaxis protein [Escherichia coli O157:H7 str. Sakai]" 100.00 167 100.00 100.00 2.12e-112 REF NP_416401 "purine-binding chemotaxis protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 167 100.00 100.00 2.12e-112 REF NP_707782 "purine-binding chemotaxis protein [Shigella flexneri 2a str. 301]" 100.00 167 100.00 100.00 2.12e-112 REF WP_000147297 "chemotaxis protein CheW [Escherichia coli]" 100.00 167 99.40 99.40 6.93e-111 REF WP_000147298 "chemotaxis protein CheW [Shigella dysenteriae]" 100.00 167 98.20 98.20 1.18e-108 SP P0A964 "RecName: Full=Chemotaxis protein CheW" 100.00 167 100.00 100.00 2.12e-112 SP P0A965 "RecName: Full=Chemotaxis protein CheW" 100.00 167 100.00 100.00 2.12e-112 SP P0A966 "RecName: Full=Chemotaxis protein CheW" 100.00 167 100.00 100.00 2.12e-112 SP P0A967 "RecName: Full=Chemotaxis protein CheW" 100.00 167 100.00 100.00 2.12e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $chemotaxis_protein_CheW 'E. coli' 562 Bacteria . Escherichia coli 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 $chemotaxis_protein_CheW 'recombinant technology' . Escherichia coli . pET21a 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 $chemotaxis_protein_CheW 1 mM '[U-95% 13C; U-95% 15N]' Tris-HCl 30 mM . NaCl 30 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '30mM Tris-HCl; 30mM NaCl.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.06 . M pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' 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 monomer _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 6 6 ASN H H 8.520 0.03 1 2 6 6 ASN HA H 4.736 0.03 1 3 6 6 ASN HB2 H 2.797 0.03 2 4 6 6 ASN HB3 H 2.797 0.03 2 5 6 6 ASN C C 175.118 0.30 1 6 6 6 ASN CA C 53.255 0.30 1 7 6 6 ASN CB C 38.976 0.30 1 8 6 6 ASN N N 122.188 0.30 1 9 7 7 VAL H H 8.140 0.03 1 10 7 7 VAL HA H 4.178 0.03 1 11 7 7 VAL HB H 2.115 0.03 1 12 7 7 VAL HG1 H 0.920 0.03 2 13 7 7 VAL HG2 H 0.950 0.03 2 14 7 7 VAL C C 176.321 0.30 1 15 7 7 VAL CA C 62.536 0.30 1 16 7 7 VAL CB C 32.491 0.30 1 17 7 7 VAL CG1 C 20.453 0.30 1 18 7 7 VAL CG2 C 21.363 0.30 1 19 7 7 VAL N N 120.888 0.30 1 20 8 8 THR H H 8.259 0.03 1 21 8 8 THR HA H 4.179 0.03 1 22 8 8 THR HB H 4.353 0.03 1 23 8 8 THR HG2 H 1.201 0.03 1 24 8 8 THR C C 174.264 0.30 1 25 8 8 THR CA C 62.334 0.30 1 26 8 8 THR CB C 69.736 0.30 1 27 8 8 THR CG2 C 21.667 0.30 1 28 8 8 THR N N 119.288 0.30 1 29 9 9 LYS H H 8.301 0.03 1 30 9 9 LYS HA H 4.351 0.03 1 31 9 9 LYS HB2 H 1.740 0.03 2 32 9 9 LYS HB3 H 1.827 0.03 2 33 9 9 LYS HD2 H 1.698 0.03 2 34 9 9 LYS HD3 H 1.698 0.03 2 35 9 9 LYS HE2 H 2.927 0.03 2 36 9 9 LYS HE3 H 2.986 0.03 2 37 9 9 LYS HG2 H 1.400 0.03 2 38 9 9 LYS HG3 H 1.400 0.03 2 39 9 9 LYS C C 176.272 0.30 1 40 9 9 LYS CA C 56.163 0.30 1 41 9 9 LYS CB C 32.997 0.30 1 42 9 9 LYS CD C 29.119 0.30 1 43 9 9 LYS CE C 42.203 0.30 1 44 9 9 LYS CG C 24.803 0.30 1 45 9 9 LYS N N 125.088 0.30 1 46 10 10 LEU H H 8.368 0.03 1 47 10 10 LEU HA H 4.343 0.03 1 48 10 10 LEU HB2 H 1.590 0.03 2 49 10 10 LEU HB3 H 1.652 0.03 2 50 10 10 LEU HD1 H 0.923 0.03 2 51 10 10 LEU HD2 H 0.880 0.03 2 52 10 10 LEU C C 177.274 0.30 1 53 10 10 LEU CA C 55.151 0.30 1 54 10 10 LEU CB C 42.506 0.30 1 55 10 10 LEU CD1 C 24.904 0.30 1 56 10 10 LEU CD2 C 23.589 0.30 1 57 10 10 LEU CG C 26.921 0.30 1 58 10 10 LEU N N 125.088 0.30 1 59 11 11 ALA H H 8.369 0.03 1 60 11 11 ALA HA H 4.330 0.03 1 61 11 11 ALA HB H 1.413 0.03 1 62 11 11 ALA C C 177.548 0.30 1 63 11 11 ALA CA C 52.825 0.30 1 64 11 11 ALA CB C 19.335 0.30 1 65 11 11 ALA N N 125.488 0.30 1 66 12 12 SER H H 8.136 0.03 1 67 12 12 SER HA H 4.430 0.03 1 68 12 12 SER HB2 H 3.836 0.03 2 69 12 12 SER HB3 H 3.836 0.03 2 70 12 12 SER C C 174.176 0.30 1 71 12 12 SER CA C 58.692 0.30 1 72 12 12 SER CB C 64.155 0.30 1 73 12 12 SER N N 114.788 0.30 1 74 13 13 GLU H H 8.279 0.03 1 75 13 13 GLU HA H 4.627 0.03 1 76 13 13 GLU HB2 H 1.916 0.03 2 77 13 13 GLU HB3 H 2.055 0.03 2 78 13 13 GLU HG2 H 2.292 0.03 2 79 13 13 GLU HG3 H 2.292 0.03 2 80 13 13 GLU C C 174.632 0.30 1 81 13 13 GLU CA C 54.645 0.30 1 82 13 13 GLU CB C 29.658 0.30 1 83 13 13 GLU CG C 36.133 0.30 1 84 13 13 GLU N N 124.288 0.30 1 85 14 14 PRO HA H 4.479 0.03 1 86 14 14 PRO HB2 H 1.982 0.03 2 87 14 14 PRO HB3 H 2.314 0.03 2 88 14 14 PRO HD2 H 3.735 0.03 2 89 14 14 PRO HD3 H 3.820 0.03 2 90 14 14 PRO HG2 H 1.978 0.03 2 91 14 14 PRO HG3 H 2.064 0.03 2 92 14 14 PRO C C 176.955 0.30 1 93 14 14 PRO CA C 63.143 0.30 1 94 14 14 PRO CB C 32.187 0.30 1 95 14 14 PRO CD C 50.700 0.30 1 96 14 14 PRO CG C 27.736 0.30 1 97 15 15 SER H H 8.515 0.03 1 98 15 15 SER HA H 4.483 0.03 1 99 15 15 SER HB2 H 3.909 0.03 2 100 15 15 SER HB3 H 3.936 0.03 2 101 15 15 SER C C 174.723 0.30 1 102 15 15 SER CA C 58.390 0.30 1 103 15 15 SER CB C 64.155 0.30 1 104 15 15 SER N N 117.088 0.30 1 105 16 16 GLY H H 8.267 0.03 1 106 16 16 GLY HA2 H 3.840 0.03 2 107 16 16 GLY HA3 H 4.081 0.03 2 108 16 16 GLY C C 172.900 0.30 1 109 16 16 GLY CA C 45.035 0.30 1 110 16 16 GLY N N 111.188 0.30 1 111 17 17 GLN H H 8.404 0.03 1 112 17 17 GLN HA H 4.421 0.03 1 113 17 17 GLN HB2 H 1.881 0.03 2 114 17 17 GLN HB3 H 1.964 0.03 2 115 17 17 GLN HE21 H 7.453 0.03 2 116 17 17 GLN HE22 H 6.662 0.03 2 117 17 17 GLN HG2 H 2.117 0.03 2 118 17 17 GLN HG3 H 2.214 0.03 2 119 17 17 GLN C C 173.903 0.30 1 120 17 17 GLN CA C 55.252 0.30 1 121 17 17 GLN CB C 31.985 0.30 1 122 17 17 GLN CG C 34.413 0.30 1 123 17 17 GLN N N 121.288 0.30 1 124 17 17 GLN NE2 N 111.188 0.30 1 125 18 18 GLU H H 8.052 0.03 1 126 18 18 GLU HA H 5.058 0.03 1 127 18 18 GLU HB2 H 1.638 0.03 2 128 18 18 GLU HB3 H 1.862 0.03 2 129 18 18 GLU HG2 H 1.944 0.03 2 130 18 18 GLU HG3 H 2.127 0.03 2 131 18 18 GLU C C 175.816 0.30 1 132 18 18 GLU CA C 55.556 0.30 1 133 18 18 GLU CB C 32.693 0.30 1 134 18 18 GLU CG C 37.549 0.30 1 135 18 18 GLU N N 122.388 0.30 1 136 19 19 PHE H H 9.258 0.03 1 137 19 19 PHE HA H 5.067 0.03 1 138 19 19 PHE HB2 H 2.472 0.03 2 139 19 19 PHE HB3 H 2.602 0.03 2 140 19 19 PHE HD1 H 6.886 0.03 3 141 19 19 PHE HD2 H 6.886 0.03 3 142 19 19 PHE HE1 H 7.153 0.03 3 143 19 19 PHE HE2 H 7.153 0.03 3 144 19 19 PHE C C 174.905 0.30 1 145 19 19 PHE CA C 56.972 0.30 1 146 19 19 PHE CB C 42.304 0.30 1 147 19 19 PHE N N 121.488 0.30 1 148 20 20 LEU H H 9.211 0.03 1 149 20 20 LEU HA H 4.700 0.03 1 150 20 20 LEU HB2 H 1.519 0.03 2 151 20 20 LEU HB3 H 1.921 0.03 2 152 20 20 LEU HD1 H 0.980 0.03 2 153 20 20 LEU HD2 H 0.994 0.03 2 154 20 20 LEU HG H 1.714 0.03 1 155 20 20 LEU C C 175.176 0.30 1 156 20 20 LEU CA C 54.747 0.30 1 157 20 20 LEU CB C 43.922 0.30 1 158 20 20 LEU CD1 C 28.040 0.30 1 159 20 20 LEU CD2 C 24.196 0.30 1 160 20 20 LEU CG C 27.534 0.30 1 161 20 20 LEU N N 124.688 0.30 1 162 21 21 VAL H H 8.510 0.03 1 163 21 21 VAL HA H 5.233 0.03 1 164 21 21 VAL HB H 2.112 0.03 1 165 21 21 VAL HG1 H 0.858 0.03 2 166 21 21 VAL HG2 H 0.810 0.03 2 167 21 21 VAL C C 175.224 0.30 1 168 21 21 VAL CA C 61.322 0.30 1 169 21 21 VAL CB C 32.333 0.30 1 170 21 21 VAL CG1 C 22.375 0.30 1 171 21 21 VAL CG2 C 21.666 0.30 1 172 21 21 VAL N N 128.988 0.30 1 173 22 22 PHE H H 9.362 0.03 1 174 22 22 PHE HA H 5.705 0.03 1 175 22 22 PHE HB2 H 2.776 0.03 2 176 22 22 PHE HB3 H 3.718 0.03 2 177 22 22 PHE HD1 H 7.052 0.03 3 178 22 22 PHE HD2 H 7.052 0.03 3 179 22 22 PHE HE1 H 6.845 0.03 3 180 22 22 PHE HE2 H 6.845 0.03 3 181 22 22 PHE C C 172.991 0.30 1 182 22 22 PHE CA C 54.645 0.30 1 183 22 22 PHE CB C 43.518 0.30 1 184 22 22 PHE N N 124.488 0.30 1 185 23 23 THR H H 8.763 0.03 1 186 23 23 THR HA H 5.428 0.03 1 187 23 23 THR HB H 3.982 0.03 1 188 23 23 THR HG2 H 1.102 0.03 1 189 23 23 THR C C 175.176 0.30 1 190 23 23 THR CA C 59.906 0.30 1 191 23 23 THR CB C 71.201 0.30 1 192 23 23 THR CG2 C 23.184 0.30 1 193 23 23 THR N N 112.688 0.30 1 194 24 24 LEU H H 8.311 0.03 1 195 24 24 LEU HA H 4.838 0.03 1 196 24 24 LEU HB2 H 1.714 0.03 2 197 24 24 LEU HB3 H 1.831 0.03 2 198 24 24 LEU HD1 H 0.949 0.03 2 199 24 24 LEU HD2 H 0.717 0.03 2 200 24 24 LEU HG H 1.655 0.03 1 201 24 24 LEU C C 177.046 0.30 1 202 24 24 LEU CA C 54.751 0.30 1 203 24 24 LEU CB C 44.125 0.30 1 204 24 24 LEU CD1 C 25.612 0.30 1 205 24 24 LEU CD2 C 26.017 0.30 1 206 24 24 LEU CG C 27.129 0.30 1 207 24 24 LEU N N 124.588 0.30 1 208 25 25 GLY H H 9.867 0.03 1 209 25 25 GLY HA2 H 3.707 0.03 2 210 25 25 GLY HA3 H 4.030 0.03 2 211 25 25 GLY C C 174.766 0.30 1 212 25 25 GLY CA C 47.362 0.30 1 213 25 25 GLY N N 118.288 0.30 1 214 26 26 ASP H H 8.759 0.03 1 215 26 26 ASP HA H 4.700 0.03 1 216 26 26 ASP HB2 H 2.651 0.03 2 217 26 26 ASP HB3 H 2.859 0.03 2 218 26 26 ASP C C 175.638 0.30 1 219 26 26 ASP CA C 54.241 0.30 1 220 26 26 ASP CB C 41.494 0.30 1 221 26 26 ASP N N 125.388 0.30 1 222 27 27 GLU H H 7.855 0.03 1 223 27 27 GLU HA H 4.506 0.03 1 224 27 27 GLU HB2 H 1.695 0.03 2 225 27 27 GLU HB3 H 2.261 0.03 2 226 27 27 GLU HG2 H 2.245 0.03 2 227 27 27 GLU HG3 H 2.245 0.03 2 228 27 27 GLU C C 174.267 0.30 1 229 27 27 GLU CA C 55.961 0.30 1 230 27 27 GLU CB C 33.098 0.30 1 231 27 27 GLU CG C 36.740 0.30 1 232 27 27 GLU N N 120.188 0.30 1 233 28 28 GLU H H 7.977 0.03 1 234 28 28 GLU HA H 4.831 0.03 1 235 28 28 GLU HB2 H 1.587 0.03 2 236 28 28 GLU HB3 H 1.936 0.03 2 237 28 28 GLU HG2 H 1.816 0.03 2 238 28 28 GLU HG3 H 2.254 0.03 2 239 28 28 GLU C C 174.996 0.30 1 240 28 28 GLU CA C 55.910 0.30 1 241 28 28 GLU CB C 32.693 0.30 1 242 28 28 GLU CG C 37.853 0.30 1 243 28 28 GLU N N 118.988 0.30 1 244 29 29 TYR H H 9.043 0.03 1 245 29 29 TYR HA H 5.164 0.03 1 246 29 29 TYR HB2 H 0.824 0.03 2 247 29 29 TYR HB3 H 2.171 0.03 2 248 29 29 TYR HD1 H 6.697 0.03 3 249 29 29 TYR HD2 H 6.697 0.03 3 250 29 29 TYR C C 174.586 0.30 1 251 29 29 TYR CA C 55.758 0.30 1 252 29 29 TYR CB C 42.607 0.30 1 253 29 29 TYR N N 122.688 0.30 1 254 30 30 GLY H H 8.641 0.03 1 255 30 30 GLY HA2 H 2.896 0.03 2 256 30 30 GLY HA3 H 5.760 0.03 2 257 30 30 GLY C C 172.809 0.30 1 258 30 30 GLY CA C 44.023 0.30 1 259 30 30 GLY N N 104.240 0.30 1 260 31 31 ILE H H 9.026 0.03 1 261 31 31 ILE HA H 4.997 0.03 1 262 31 31 ILE HB H 1.844 0.03 1 263 31 31 ILE HD1 H 0.879 0.03 1 264 31 31 ILE HG12 H 1.294 0.03 2 265 31 31 ILE HG13 H 1.843 0.03 2 266 31 31 ILE HG2 H 1.139 0.03 1 267 31 31 ILE C C 174.313 0.30 1 268 31 31 ILE CA C 59.308 0.30 1 269 31 31 ILE CB C 43.416 0.30 1 270 31 31 ILE CD1 C 15.222 0.30 1 271 31 31 ILE CG1 C 27.332 0.30 1 272 31 31 ILE CG2 C 18.126 0.30 1 273 31 31 ILE N N 119.288 0.30 1 274 32 32 ASP H H 8.845 0.03 1 275 32 32 ASP HA H 4.031 0.03 1 276 32 32 ASP HB2 H 2.684 0.03 2 277 32 32 ASP HB3 H 2.684 0.03 2 278 32 32 ASP C C 177.912 0.30 1 279 32 32 ASP CA C 55.151 0.30 1 280 32 32 ASP CB C 41.697 0.30 1 281 32 32 ASP N N 127.288 0.30 1 282 33 33 ILE H H 7.984 0.03 1 283 33 33 ILE HA H 4.058 0.03 1 284 33 33 ILE HB H 1.555 0.03 1 285 33 33 ILE HD1 H 0.963 0.03 1 286 33 33 ILE HG12 H 1.451 0.03 2 287 33 33 ILE HG13 H 1.451 0.03 2 288 33 33 ILE HG2 H 0.942 0.03 1 289 33 33 ILE C C 177.548 0.30 1 290 33 33 ILE CA C 62.131 0.30 1 291 33 33 ILE CB C 39.617 0.30 1 292 33 33 ILE CD1 C 15.406 0.30 1 293 33 33 ILE CG1 C 29.355 0.30 1 294 33 33 ILE CG2 C 19.340 0.30 1 295 33 33 ILE N N 128.388 0.30 1 296 34 34 LEU H H 8.591 0.03 1 297 34 34 LEU HA H 4.161 0.03 1 298 34 34 LEU HB2 H 1.506 0.03 2 299 34 34 LEU HB3 H 1.863 0.03 2 300 34 34 LEU HD1 H 0.996 0.03 2 301 34 34 LEU HD2 H 0.897 0.03 2 302 34 34 LEU HG H 1.757 0.03 1 303 34 34 LEU C C 179.231 0.30 1 304 34 34 LEU CA C 56.568 0.30 1 305 34 34 LEU CB C 40.685 0.30 1 306 34 34 LEU CD1 C 25.410 0.30 1 307 34 34 LEU CD2 C 22.476 0.30 1 308 34 34 LEU CG C 27.028 0.30 1 309 34 34 LEU N N 122.888 0.30 1 310 35 35 LYS H H 7.818 0.03 1 311 35 35 LYS HA H 4.465 0.03 1 312 35 35 LYS HB2 H 1.862 0.03 2 313 35 35 LYS HB3 H 2.151 0.03 2 314 35 35 LYS HD2 H 1.688 0.03 2 315 35 35 LYS HD3 H 1.688 0.03 2 316 35 35 LYS HE2 H 3.007 0.03 2 317 35 35 LYS HE3 H 3.086 0.03 2 318 35 35 LYS HG2 H 1.486 0.03 2 319 35 35 LYS HG3 H 1.556 0.03 2 320 35 35 LYS C C 175.452 0.30 1 321 35 35 LYS CA C 55.354 0.30 1 322 35 35 LYS CB C 32.693 0.30 1 323 35 35 LYS CD C 28.647 0.30 1 324 35 35 LYS CE C 42.607 0.30 1 325 35 35 LYS CG C 25.612 0.30 1 326 35 35 LYS N N 115.988 0.30 1 327 36 36 VAL H H 7.590 0.03 1 328 36 36 VAL HA H 3.884 0.03 1 329 36 36 VAL HB H 2.350 0.03 1 330 36 36 VAL HG1 H 0.758 0.03 2 331 36 36 VAL HG2 H 0.917 0.03 2 332 36 36 VAL C C 175.315 0.30 1 333 36 36 VAL CA C 63.548 0.30 1 334 36 36 VAL CB C 32.187 0.30 1 335 36 36 VAL CG1 C 20.060 0.30 1 336 36 36 VAL CG2 C 21.970 0.30 1 337 36 36 VAL N N 120.788 0.30 1 338 37 37 GLN H H 9.550 0.03 1 339 37 37 GLN HA H 4.381 0.03 1 340 37 37 GLN HB2 H 1.748 0.03 2 341 37 37 GLN HB3 H 1.962 0.03 2 342 37 37 GLN HE21 H 7.803 0.03 2 343 37 37 GLN HE22 H 6.629 0.03 2 344 37 37 GLN HG2 H 2.263 0.03 2 345 37 37 GLN HG3 H 2.263 0.03 2 346 37 37 GLN C C 175.907 0.30 1 347 37 37 GLN CA C 57.680 0.30 1 348 37 37 GLN CB C 30.670 0.30 1 349 37 37 GLN CG C 34.413 0.30 1 350 37 37 GLN N N 129.388 0.30 1 351 37 37 GLN NE2 N 111.988 0.30 1 352 38 38 GLU H H 7.694 0.03 1 353 38 38 GLU HA H 4.590 0.03 1 354 38 38 GLU HB2 H 2.163 0.03 2 355 38 38 GLU HB3 H 2.163 0.03 2 356 38 38 GLU HG2 H 1.919 0.03 2 357 38 38 GLU HG3 H 1.919 0.03 2 358 38 38 GLU C C 172.126 0.30 1 359 38 38 GLU CA C 55.455 0.30 1 360 38 38 GLU CB C 32.491 0.30 1 361 38 38 GLU CG C 36.133 0.30 1 362 38 38 GLU N N 113.288 0.30 1 363 39 39 ILE H H 8.615 0.03 1 364 39 39 ILE HA H 4.737 0.03 1 365 39 39 ILE HB H 1.731 0.03 1 366 39 39 ILE HD1 H 0.914 0.03 1 367 39 39 ILE HG12 H 1.519 0.03 2 368 39 39 ILE HG13 H 1.519 0.03 2 369 39 39 ILE HG2 H 0.887 0.03 1 370 39 39 ILE C C 175.269 0.30 1 371 39 39 ILE CA C 61.114 0.30 1 372 39 39 ILE CB C 39.673 0.30 1 373 39 39 ILE CD1 C 14.358 0.30 1 374 39 39 ILE CG1 C 28.141 0.30 1 375 39 39 ILE CG2 C 18.632 0.30 1 376 39 39 ILE N N 123.088 0.30 1 377 40 40 ARG H H 9.500 0.03 1 378 40 40 ARG HA H 4.947 0.03 1 379 40 40 ARG HB2 H 1.825 0.03 2 380 40 40 ARG HB3 H 2.015 0.03 2 381 40 40 ARG HD2 H 2.891 0.03 2 382 40 40 ARG HD3 H 2.891 0.03 2 383 40 40 ARG HG2 H 1.660 0.03 2 384 40 40 ARG HG3 H 1.660 0.03 2 385 40 40 ARG C C 175.042 0.30 1 386 40 40 ARG CA C 54.382 0.30 1 387 40 40 ARG CB C 33.907 0.30 1 388 40 40 ARG CD C 43.327 0.30 1 389 40 40 ARG CG C 26.826 0.30 1 390 40 40 ARG N N 127.288 0.30 1 391 41 41 GLY H H 8.261 0.03 1 392 41 41 GLY HA2 H 3.702 0.03 2 393 41 41 GLY HA3 H 4.674 0.03 2 394 41 41 GLY C C 172.399 0.30 1 395 41 41 GLY CA C 44.327 0.30 1 396 41 41 GLY N N 108.288 0.30 1 397 42 42 TYR H H 8.495 0.03 1 398 42 42 TYR HA H 4.179 0.03 1 399 42 42 TYR HB2 H 2.452 0.03 2 400 42 42 TYR HB3 H 3.183 0.03 2 401 42 42 TYR HD1 H 6.845 0.03 3 402 42 42 TYR HD2 H 6.845 0.03 3 403 42 42 TYR HE1 H 6.935 0.03 3 404 42 42 TYR HE2 H 6.935 0.03 3 405 42 42 TYR C C 174.541 0.30 1 406 42 42 TYR CA C 58.890 0.30 1 407 42 42 TYR CB C 38.864 0.30 1 408 42 42 TYR N N 121.588 0.30 1 409 43 43 ASP H H 7.571 0.03 1 410 43 43 ASP HA H 4.548 0.03 1 411 43 43 ASP HB2 H 2.434 0.03 2 412 43 43 ASP HB3 H 2.600 0.03 2 413 43 43 ASP C C 173.994 0.30 1 414 43 43 ASP CA C 53.735 0.30 1 415 43 43 ASP CB C 42.708 0.30 1 416 43 43 ASP N N 126.988 0.30 1 417 44 44 GLN H H 8.166 0.03 1 418 44 44 GLN HA H 3.984 0.03 1 419 44 44 GLN HB2 H 1.937 0.03 2 420 44 44 GLN HB3 H 2.036 0.03 2 421 44 44 GLN HE21 H 7.588 0.03 2 422 44 44 GLN HE22 H 6.832 0.03 2 423 44 44 GLN HG2 H 2.257 0.03 2 424 44 44 GLN HG3 H 2.314 0.03 2 425 44 44 GLN C C 175.725 0.30 1 426 44 44 GLN CA C 56.466 0.30 1 427 44 44 GLN CB C 28.040 0.30 1 428 44 44 GLN CG C 34.008 0.30 1 429 44 44 GLN N N 117.788 0.30 1 430 44 44 GLN NE2 N 113.588 0.30 1 431 45 45 VAL H H 8.010 0.03 1 432 45 45 VAL HA H 4.192 0.03 1 433 45 45 VAL HB H 1.595 0.03 1 434 45 45 VAL HG1 H 0.291 0.03 2 435 45 45 VAL HG2 H 0.418 0.03 2 436 45 45 VAL C C 175.907 0.30 1 437 45 45 VAL CA C 61.221 0.30 1 438 45 45 VAL CB C 33.604 0.30 1 439 45 45 VAL CG1 C 20.655 0.30 1 440 45 45 VAL CG2 C 21.363 0.30 1 441 45 45 VAL N N 124.188 0.30 1 442 46 46 THR H H 9.062 0.03 1 443 46 46 THR HA H 4.344 0.03 1 444 46 46 THR HB H 3.942 0.03 1 445 46 46 THR HG2 H 1.190 0.03 1 446 46 46 THR C C 173.720 0.30 1 447 46 46 THR CA C 62.030 0.30 1 448 46 46 THR CB C 69.945 0.30 1 449 46 46 THR CG2 C 21.262 0.30 1 450 46 46 THR N N 125.088 0.30 1 451 47 47 ARG H H 8.671 0.03 1 452 47 47 ARG HA H 4.336 0.03 1 453 47 47 ARG HB2 H 1.734 0.03 2 454 47 47 ARG HB3 H 1.992 0.03 2 455 47 47 ARG HD2 H 2.913 0.03 2 456 47 47 ARG HD3 H 3.133 0.03 2 457 47 47 ARG HG2 H 1.389 0.03 2 458 47 47 ARG HG3 H 1.650 0.03 2 459 47 47 ARG C C 175.816 0.30 1 460 47 47 ARG CA C 57.276 0.30 1 461 47 47 ARG CB C 30.974 0.30 1 462 47 47 ARG CD C 44.529 0.30 1 463 47 47 ARG CG C 26.421 0.30 1 464 47 47 ARG N N 128.588 0.30 1 465 48 48 ILE H H 8.449 0.03 1 466 48 48 ILE HA H 4.286 0.03 1 467 48 48 ILE HB H 1.693 0.03 1 468 48 48 ILE HD1 H 0.728 0.03 1 469 48 48 ILE HG12 H 1.220 0.03 2 470 48 48 ILE HG13 H 1.366 0.03 2 471 48 48 ILE HG2 H 0.914 0.03 1 472 48 48 ILE C C 175.725 0.30 1 473 48 48 ILE CA C 58.793 0.30 1 474 48 48 ILE CB C 38.662 0.30 1 475 48 48 ILE CD1 C 12.002 0.30 1 476 48 48 ILE CG1 C 26.927 0.30 1 477 48 48 ILE CG2 C 17.519 0.30 1 478 48 48 ILE N N 125.088 0.30 1 479 49 49 ALA H H 8.691 0.03 1 480 49 49 ALA HA H 4.070 0.03 1 481 49 49 ALA HB H 1.351 0.03 1 482 49 49 ALA C C 177.046 0.30 1 483 49 49 ALA CA C 53.330 0.30 1 484 49 49 ALA CB C 19.137 0.30 1 485 49 49 ALA N N 130.588 0.30 1 486 50 50 ASN H H 8.721 0.03 1 487 50 50 ASN HA H 4.355 0.03 1 488 50 50 ASN HB2 H 2.887 0.03 2 489 50 50 ASN HB3 H 2.978 0.03 2 490 50 50 ASN HD21 H 7.662 0.03 2 491 50 50 ASN HD22 H 6.924 0.03 2 492 50 50 ASN C C 174.586 0.30 1 493 50 50 ASN CA C 54.342 0.30 1 494 50 50 ASN CB C 37.043 0.30 1 495 50 50 ASN N N 113.688 0.30 1 496 50 50 ASN ND2 N 114.988 0.30 1 497 51 51 THR H H 7.494 0.03 1 498 51 51 THR HA H 4.705 0.03 1 499 51 51 THR HB H 4.117 0.03 1 500 51 51 THR HG2 H 1.068 0.03 1 501 51 51 THR C C 169.529 0.30 1 502 51 51 THR CA C 58.793 0.30 1 503 51 51 THR CB C 70.141 0.30 1 504 51 51 THR CG2 C 22.274 0.30 1 505 51 51 THR N N 107.888 0.30 1 506 52 52 PRO HA H 4.322 0.03 1 507 52 52 PRO HB2 H 1.979 0.03 2 508 52 52 PRO HB3 H 2.094 0.03 2 509 52 52 PRO HD2 H 3.264 0.03 2 510 52 52 PRO HD3 H 3.774 0.03 2 511 52 52 PRO HG2 H 1.542 0.03 2 512 52 52 PRO HG3 H 1.978 0.03 2 513 52 52 PRO C C 177.821 0.30 1 514 52 52 PRO CA C 63.944 0.30 1 515 52 52 PRO CB C 30.367 0.30 1 516 52 52 PRO CD C 50.498 0.30 1 517 52 52 PRO CG C 27.736 0.30 1 518 53 53 ALA H H 8.120 0.03 1 519 53 53 ALA HA H 4.028 0.03 1 520 53 53 ALA HB H 1.457 0.03 1 521 53 53 ALA C C 178.355 0.30 1 522 53 53 ALA CA C 54.749 0.30 1 523 53 53 ALA CB C 18.531 0.30 1 524 53 53 ALA N N 123.188 0.30 1 525 54 54 PHE H H 7.137 0.03 1 526 54 54 PHE HA H 4.441 0.03 1 527 54 54 PHE HB2 H 2.734 0.03 2 528 54 54 PHE HB3 H 3.545 0.03 2 529 54 54 PHE HD1 H 7.132 0.03 3 530 54 54 PHE HD2 H 7.132 0.03 3 531 54 54 PHE HE1 H 7.299 0.03 3 532 54 54 PHE HE2 H 7.299 0.03 3 533 54 54 PHE C C 174.768 0.30 1 534 54 54 PHE CA C 57.782 0.30 1 535 54 54 PHE CB C 37.448 0.30 1 536 54 54 PHE N N 108.188 0.30 1 537 55 55 ILE H H 7.446 0.03 1 538 55 55 ILE HA H 4.365 0.03 1 539 55 55 ILE HB H 1.777 0.03 1 540 55 55 ILE HD1 H 0.691 0.03 1 541 55 55 ILE HG2 H 0.777 0.03 1 542 55 55 ILE C C 174.996 0.30 1 543 55 55 ILE CA C 60.918 0.30 1 544 55 55 ILE CB C 36.740 0.30 1 545 55 55 ILE CD1 C 12.764 0.30 1 546 55 55 ILE CG1 C 25.465 0.30 1 547 55 55 ILE CG2 C 16.609 0.30 1 548 55 55 ILE N N 123.888 0.30 1 549 56 56 LYS H H 8.676 0.03 1 550 56 56 LYS HA H 4.088 0.03 1 551 56 56 LYS HB2 H 1.849 0.03 2 552 56 56 LYS HB3 H 1.956 0.03 2 553 56 56 LYS HE2 H 2.676 0.03 2 554 56 56 LYS HE3 H 3.106 0.03 2 555 56 56 LYS C C 176.317 0.30 1 556 56 56 LYS CA C 54.949 0.30 1 557 56 56 LYS CB C 29.861 0.30 1 558 56 56 LYS CE C 40.887 0.30 1 559 56 56 LYS N N 126.588 0.30 1 560 57 57 GLY H H 7.169 0.03 1 561 57 57 GLY HA2 H 3.540 0.03 2 562 57 57 GLY HA3 H 4.726 0.03 2 563 57 57 GLY C C 171.488 0.30 1 564 57 57 GLY CA C 44.327 0.30 1 565 57 57 GLY N N 103.160 0.30 1 566 58 58 VAL H H 8.636 0.03 1 567 58 58 VAL HA H 5.363 0.03 1 568 58 58 VAL HB H 1.891 0.03 1 569 58 58 VAL HG1 H 0.713 0.03 2 570 58 58 VAL HG2 H 0.690 0.03 2 571 58 58 VAL C C 174.541 0.30 1 572 58 58 VAL CA C 58.186 0.30 1 573 58 58 VAL CB C 35.829 0.30 1 574 58 58 VAL CG1 C 18.027 0.30 1 575 58 58 VAL CG2 C 21.363 0.30 1 576 58 58 VAL N N 113.188 0.30 1 577 59 59 THR H H 8.573 0.03 1 578 59 59 THR HA H 4.797 0.03 1 579 59 59 THR HB H 3.723 0.03 1 580 59 59 THR HG2 H 0.998 0.03 1 581 59 59 THR C C 171.169 0.30 1 582 59 59 THR CA C 59.808 0.30 1 583 59 59 THR CB C 71.620 0.30 1 584 59 59 THR CG2 C 19.441 0.30 1 585 59 59 THR N N 117.188 0.30 1 586 60 60 ASN H H 8.158 0.03 1 587 60 60 ASN HA H 5.022 0.03 1 588 60 60 ASN HB2 H 2.380 0.03 2 589 60 60 ASN HB3 H 2.867 0.03 2 590 60 60 ASN HD21 H 7.438 0.03 2 591 60 60 ASN HD22 H 6.914 0.03 2 592 60 60 ASN C C 174.541 0.30 1 593 60 60 ASN CA C 52.319 0.30 1 594 60 60 ASN CB C 39.067 0.30 1 595 60 60 ASN N N 124.888 0.30 1 596 60 60 ASN ND2 N 111.288 0.30 1 597 61 61 LEU H H 9.207 0.03 1 598 61 61 LEU HA H 4.651 0.03 1 599 61 61 LEU HB2 H 1.206 0.03 2 600 61 61 LEU HB3 H 1.698 0.03 2 601 61 61 LEU HD1 H 0.770 0.03 2 602 61 61 LEU HG H 1.367 0.03 1 603 61 61 LEU C C 175.771 0.30 1 604 61 61 LEU CA C 53.128 0.30 1 605 61 61 LEU CB C 42.708 0.30 1 606 61 61 LEU CD1 C 23.488 0.30 1 607 61 61 LEU CG C 27.028 0.30 1 608 61 61 LEU N N 129.388 0.30 1 609 62 62 ARG H H 9.143 0.03 1 610 62 62 ARG HA H 3.870 0.03 1 611 62 62 ARG HB2 H 1.947 0.03 2 612 62 62 ARG HB3 H 1.947 0.03 2 613 62 62 ARG HD2 H 3.108 0.03 2 614 62 62 ARG HD3 H 3.282 0.03 2 615 62 62 ARG HG2 H 1.418 0.03 2 616 62 62 ARG HG3 H 1.546 0.03 2 617 62 62 ARG C C 175.907 0.30 1 618 62 62 ARG CA C 56.972 0.30 1 619 62 62 ARG CB C 27.622 0.30 1 620 62 62 ARG CD C 43.315 0.30 1 621 62 62 ARG CG C 28.343 0.30 1 622 62 62 ARG N N 123.988 0.30 1 623 63 63 GLY H H 8.026 0.03 1 624 63 63 GLY HA2 H 3.651 0.03 2 625 63 63 GLY HA3 H 4.265 0.03 2 626 63 63 GLY C C 173.903 0.30 1 627 63 63 GLY CA C 45.440 0.30 1 628 63 63 GLY N N 105.800 0.30 1 629 64 64 VAL H H 7.557 0.03 1 630 64 64 VAL HA H 4.064 0.03 1 631 64 64 VAL HB H 2.060 0.03 1 632 64 64 VAL HG1 H 0.878 0.03 2 633 64 64 VAL HG2 H 0.878 0.03 2 634 64 64 VAL C C 174.632 0.30 1 635 64 64 VAL CA C 61.322 0.30 1 636 64 64 VAL CB C 33.401 0.30 1 637 64 64 VAL CG1 C 21.262 0.30 1 638 64 64 VAL CG2 C 21.262 0.30 1 639 64 64 VAL N N 123.388 0.30 1 640 65 65 ILE H H 8.540 0.03 1 641 65 65 ILE HA H 4.320 0.03 1 642 65 65 ILE HB H 1.990 0.03 1 643 65 65 ILE HD1 H 0.677 0.03 1 644 65 65 ILE HG12 H 1.469 0.03 2 645 65 65 ILE HG13 H 1.469 0.03 2 646 65 65 ILE HG2 H 0.782 0.03 1 647 65 65 ILE C C 175.634 0.30 1 648 65 65 ILE CA C 60.513 0.30 1 649 65 65 ILE CB C 35.419 0.30 1 650 65 65 ILE CD1 C 10.250 0.30 1 651 65 65 ILE CG1 C 26.826 0.30 1 652 65 65 ILE CG2 C 17.721 0.30 1 653 65 65 ILE N N 127.988 0.30 1 654 66 66 VAL H H 8.991 0.03 1 655 66 66 VAL HA H 4.583 0.03 1 656 66 66 VAL HB H 1.970 0.03 1 657 66 66 VAL HG1 H 0.752 0.03 2 658 66 66 VAL HG2 H 0.752 0.03 2 659 66 66 VAL C C 174.176 0.30 1 660 66 66 VAL CA C 59.805 0.30 1 661 66 66 VAL CB C 34.717 0.30 1 662 66 66 VAL CG1 C 20.756 0.30 1 663 66 66 VAL CG2 C 20.756 0.30 1 664 66 66 VAL N N 131.588 0.30 1 665 67 67 PRO HA H 4.978 0.03 1 666 67 67 PRO HD2 H 4.026 0.03 2 667 67 67 PRO HD3 H 4.494 0.03 2 668 67 67 PRO HG2 H 1.986 0.03 2 669 67 67 PRO HG3 H 2.247 0.03 2 670 67 67 PRO C C 174.944 0.30 1 671 67 67 PRO CD C 51.307 0.30 1 672 67 67 PRO CG C 28.040 0.30 1 673 68 68 ILE H H 8.654 0.03 1 674 68 68 ILE HA H 4.855 0.03 1 675 68 68 ILE HB H 1.684 0.03 1 676 68 68 ILE HD1 H 0.565 0.03 1 677 68 68 ILE HG12 H 1.147 0.03 2 678 68 68 ILE HG13 H 1.147 0.03 2 679 68 68 ILE HG2 H 0.688 0.03 1 680 68 68 ILE C C 175.271 0.30 1 681 68 68 ILE CA C 57.809 0.30 1 682 68 68 ILE CB C 37.549 0.30 1 683 68 68 ILE CD1 C 9.932 0.30 1 684 68 68 ILE CG1 C 25.713 0.30 1 685 68 68 ILE CG2 C 17.924 0.30 1 686 68 68 ILE N N 122.588 0.30 1 687 69 69 VAL H H 9.230 0.03 1 688 69 69 VAL HA H 4.893 0.03 1 689 69 69 VAL HB H 2.133 0.03 1 690 69 69 VAL HG1 H 0.876 0.03 2 691 69 69 VAL HG2 H 0.953 0.03 2 692 69 69 VAL C C 174.766 0.30 1 693 69 69 VAL CA C 60.008 0.30 1 694 69 69 VAL CB C 34.514 0.30 1 695 69 69 VAL CG1 C 21.262 0.30 1 696 69 69 VAL CG2 C 21.363 0.30 1 697 69 69 VAL N N 127.388 0.30 1 698 70 70 ASP H H 9.820 0.03 1 699 70 70 ASP HA H 4.999 0.03 1 700 70 70 ASP HB2 H 2.325 0.03 2 701 70 70 ASP HB3 H 3.228 0.03 2 702 70 70 ASP C C 177.001 0.30 1 703 70 70 ASP CA C 53.432 0.30 1 704 70 70 ASP CB C 42.304 0.30 1 705 70 70 ASP N N 127.188 0.30 1 706 71 71 LEU H H 8.305 0.03 1 707 71 71 LEU HA H 3.947 0.03 1 708 71 71 LEU HB2 H 1.456 0.03 2 709 71 71 LEU HB3 H 1.878 0.03 2 710 71 71 LEU HD1 H 0.625 0.03 2 711 71 71 LEU HD2 H 0.625 0.03 2 712 71 71 LEU HG H 1.657 0.03 1 713 71 71 LEU C C 178.276 0.30 1 714 71 71 LEU CA C 57.073 0.30 1 715 71 71 LEU CB C 42.000 0.30 1 716 71 71 LEU CD1 C 22.678 0.30 1 717 71 71 LEU CD2 C 22.678 0.30 1 718 71 71 LEU CG C 26.803 0.30 1 719 71 71 LEU N N 125.888 0.30 1 720 72 72 ARG H H 8.512 0.03 1 721 72 72 ARG HA H 3.991 0.03 1 722 72 72 ARG HB2 H 1.774 0.03 2 723 72 72 ARG HB3 H 1.774 0.03 2 724 72 72 ARG HG2 H 1.935 0.03 2 725 72 72 ARG HG3 H 1.935 0.03 2 726 72 72 ARG C C 178.504 0.30 1 727 72 72 ARG CA C 59.906 0.30 1 728 72 72 ARG CB C 28.322 0.30 1 729 72 72 ARG CD C 43.062 0.30 1 730 72 72 ARG CG C 27.231 0.30 1 731 72 72 ARG N N 118.288 0.30 1 732 73 73 ILE H H 6.886 0.03 1 733 73 73 ILE HA H 4.014 0.03 1 734 73 73 ILE HB H 1.819 0.03 1 735 73 73 ILE HD1 H 0.951 0.03 1 736 73 73 ILE HG12 H 1.163 0.03 2 737 73 73 ILE HG13 H 1.545 0.03 2 738 73 73 ILE HG2 H 0.908 0.03 1 739 73 73 ILE C C 174.358 0.30 1 740 73 73 ILE CA C 63.548 0.30 1 741 73 73 ILE CB C 38.864 0.30 1 742 73 73 ILE CD1 C 13.704 0.30 1 743 73 73 ILE CG1 C 28.647 0.30 1 744 73 73 ILE CG2 C 17.114 0.30 1 745 73 73 ILE N N 116.688 0.30 1 746 74 74 LYS H H 7.723 0.03 1 747 74 74 LYS HA H 3.741 0.03 1 748 74 74 LYS HB2 H 1.131 0.03 2 749 74 74 LYS HB3 H 1.285 0.03 2 750 74 74 LYS HD2 H 0.431 0.03 2 751 74 74 LYS HD3 H 0.668 0.03 2 752 74 74 LYS HE2 H 2.285 0.03 2 753 74 74 LYS HE3 H 2.285 0.03 2 754 74 74 LYS C C 176.773 0.30 1 755 74 74 LYS CA C 58.591 0.30 1 756 74 74 LYS CB C 32.794 0.30 1 757 74 74 LYS CD C 28.000 0.30 1 758 74 74 LYS CE C 41.899 0.30 1 759 74 74 LYS N N 120.488 0.30 1 760 75 75 PHE H H 7.658 0.03 1 761 75 75 PHE HA H 4.818 0.03 1 762 75 75 PHE HB2 H 2.837 0.03 2 763 75 75 PHE HB3 H 3.476 0.03 2 764 75 75 PHE HD1 H 7.343 0.03 3 765 75 75 PHE HD2 H 7.343 0.03 3 766 75 75 PHE HE1 H 7.144 0.03 3 767 75 75 PHE HE2 H 7.144 0.03 3 768 75 75 PHE C C 175.361 0.30 1 769 75 75 PHE CA C 57.642 0.30 1 770 75 75 PHE CB C 38.460 0.30 1 771 75 75 PHE N N 113.888 0.30 1 772 76 76 SER H H 7.787 0.03 1 773 76 76 SER HA H 4.428 0.03 1 774 76 76 SER HB2 H 4.022 0.03 2 775 76 76 SER HB3 H 4.022 0.03 2 776 76 76 SER C C 174.039 0.30 1 777 76 76 SER CA C 58.995 0.30 1 778 76 76 SER CB C 63.042 0.30 1 779 76 76 SER N N 113.488 0.30 1 780 77 77 GLN H H 8.388 0.03 1 781 77 77 GLN HA H 4.373 0.03 1 782 77 77 GLN HB2 H 1.918 0.03 2 783 77 77 GLN HB3 H 2.140 0.03 2 784 77 77 GLN HE21 H 7.443 0.03 2 785 77 77 GLN HE22 H 7.066 0.03 2 786 77 77 GLN HG2 H 2.324 0.03 2 787 77 77 GLN HG3 H 2.324 0.03 2 788 77 77 GLN C C 175.634 0.30 1 789 77 77 GLN CA C 55.758 0.30 1 790 77 77 GLN CB C 29.153 0.30 1 791 77 77 GLN CG C 34.413 0.30 1 792 77 77 GLN N N 119.888 0.30 1 793 77 77 GLN NE2 N 112.988 0.30 1 794 78 78 VAL H H 7.755 0.03 1 795 78 78 VAL HA H 4.111 0.03 1 796 78 78 VAL HB H 2.044 0.03 1 797 78 78 VAL HG1 H 0.887 0.03 2 798 78 78 VAL HG2 H 0.908 0.03 2 799 78 78 VAL C C 175.587 0.30 1 800 78 78 VAL CA C 62.334 0.30 1 801 78 78 VAL CB C 33.199 0.30 1 802 78 78 VAL CG1 C 20.149 0.30 1 803 78 78 VAL CG2 C 21.363 0.30 1 804 78 78 VAL N N 118.288 0.30 1 805 79 79 ASP H H 8.192 0.03 1 806 79 79 ASP HA H 4.609 0.03 1 807 79 79 ASP HB2 H 2.512 0.03 2 808 79 79 ASP HB3 H 2.624 0.03 2 809 79 79 ASP C C 175.269 0.30 1 810 79 79 ASP CA C 54.241 0.30 1 811 79 79 ASP CB C 40.887 0.30 1 812 79 79 ASP N N 122.288 0.30 1 813 80 80 VAL H H 7.853 0.03 1 814 80 80 VAL HA H 4.051 0.03 1 815 80 80 VAL HB H 1.787 0.03 1 816 80 80 VAL HG1 H 0.629 0.03 2 817 80 80 VAL HG2 H 0.636 0.03 2 818 80 80 VAL C C 174.290 0.30 1 819 80 80 VAL CA C 60.918 0.30 1 820 80 80 VAL CB C 33.806 0.30 1 821 80 80 VAL CG1 C 19.947 0.30 1 822 80 80 VAL CG2 C 21.970 0.30 1 823 80 80 VAL N N 119.788 0.30 1 824 81 81 ASP H H 7.980 0.03 1 825 81 81 ASP HA H 4.665 0.03 1 826 81 81 ASP HB2 H 2.451 0.03 2 827 81 81 ASP HB3 H 2.451 0.03 2 828 81 81 ASP C C 174.711 0.30 1 829 81 81 ASP CA C 52.622 0.30 1 830 81 81 ASP CB C 43.619 0.30 1 831 81 81 ASP N N 123.588 0.30 1 832 82 82 TYR H H 8.194 0.03 1 833 82 82 TYR HA H 4.552 0.03 1 834 82 82 TYR HB2 H 2.601 0.03 2 835 82 82 TYR HB3 H 2.664 0.03 2 836 82 82 TYR HE1 H 6.413 0.03 3 837 82 82 TYR HE2 H 6.413 0.03 3 838 82 82 TYR C C 174.711 0.30 1 839 82 82 TYR CA C 56.871 0.30 1 840 82 82 TYR CB C 39.269 0.30 1 841 82 82 TYR N N 120.888 0.30 1 842 83 83 ASN H H 9.209 0.03 1 843 83 83 ASN HA H 4.952 0.03 1 844 83 83 ASN HB2 H 2.917 0.03 2 845 83 83 ASN HB3 H 3.183 0.03 2 846 83 83 ASN HD21 H 7.716 0.03 2 847 83 83 ASN HD22 H 6.871 0.03 2 848 83 83 ASN C C 176.090 0.30 1 849 83 83 ASN CA C 52.555 0.30 1 850 83 83 ASN CB C 39.370 0.30 1 851 83 83 ASN N N 122.088 0.30 1 852 83 83 ASN ND2 N 115.088 0.30 1 853 84 84 ASP H H 8.585 0.03 1 854 84 84 ASP HA H 4.550 0.03 1 855 84 84 ASP HB2 H 2.638 0.03 2 856 84 84 ASP HB3 H 2.797 0.03 2 857 84 84 ASP C C 176.454 0.30 1 858 84 84 ASP CA C 56.871 0.30 1 859 84 84 ASP CB C 40.584 0.30 1 860 84 84 ASP N N 118.888 0.30 1 861 85 85 ASN H H 8.730 0.03 1 862 85 85 ASN HA H 4.839 0.03 1 863 85 85 ASN HB2 H 2.812 0.03 2 864 85 85 ASN HB3 H 2.957 0.03 2 865 85 85 ASN HD21 H 7.505 0.03 2 866 85 85 ASN HD22 H 6.943 0.03 2 867 85 85 ASN C C 174.905 0.30 1 868 85 85 ASN CA C 53.411 0.30 1 869 85 85 ASN CB C 39.471 0.30 1 870 85 85 ASN N N 116.888 0.30 1 871 85 85 ASN ND2 N 114.088 0.30 1 872 86 86 THR H H 7.692 0.03 1 873 86 86 THR HA H 4.198 0.03 1 874 86 86 THR HB H 4.094 0.03 1 875 86 86 THR HG2 H 1.190 0.03 1 876 86 86 THR C C 174.085 0.30 1 877 86 86 THR CA C 64.964 0.30 1 878 86 86 THR CB C 69.150 0.30 1 879 86 86 THR CG2 C 23.488 0.30 1 880 86 86 THR N N 119.788 0.30 1 881 87 87 VAL H H 8.146 0.03 1 882 87 87 VAL HA H 4.542 0.03 1 883 87 87 VAL HB H 1.821 0.03 1 884 87 87 VAL HG1 H 0.949 0.03 2 885 87 87 VAL HG2 H 0.856 0.03 2 886 87 87 VAL C C 177.730 0.30 1 887 87 87 VAL CA C 61.423 0.30 1 888 87 87 VAL CB C 35.324 0.30 1 889 87 87 VAL CG1 C 21.363 0.30 1 890 87 87 VAL CG2 C 22.375 0.30 1 891 87 87 VAL N N 126.688 0.30 1 892 88 88 VAL H H 8.676 0.03 1 893 88 88 VAL HA H 4.824 0.03 1 894 88 88 VAL HB H 1.716 0.03 1 895 88 88 VAL HG1 H 0.568 0.03 2 896 88 88 VAL HG2 H 0.885 0.03 2 897 88 88 VAL C C 175.315 0.30 1 898 88 88 VAL CA C 60.336 0.30 1 899 88 88 VAL CB C 34.312 0.30 1 900 88 88 VAL CG1 C 20.655 0.30 1 901 88 88 VAL CG2 C 22.779 0.30 1 902 88 88 VAL N N 123.488 0.30 1 903 89 89 ILE H H 9.026 0.03 1 904 89 89 ILE HA H 4.315 0.03 1 905 89 89 ILE HB H 1.637 0.03 1 906 89 89 ILE HD1 H 0.522 0.03 1 907 89 89 ILE HG12 H 1.231 0.03 2 908 89 89 ILE HG13 H 1.446 0.03 2 909 89 89 ILE HG2 H 0.741 0.03 1 910 89 89 ILE C C 175.315 0.30 1 911 89 89 ILE CA C 60.513 0.30 1 912 89 89 ILE CB C 38.864 0.30 1 913 89 89 ILE CD1 C 14.762 0.30 1 914 89 89 ILE CG1 C 26.900 0.30 1 915 89 89 ILE CG2 C 19.441 0.30 1 916 89 89 ILE N N 126.788 0.30 1 917 90 90 VAL H H 9.155 0.03 1 918 90 90 VAL HA H 4.232 0.03 1 919 90 90 VAL HB H 2.022 0.03 1 920 90 90 VAL HG1 H 0.648 0.03 2 921 90 90 VAL HG2 H 0.679 0.03 2 922 90 90 VAL C C 174.632 0.30 1 923 90 90 VAL CA C 63.244 0.30 1 924 90 90 VAL CB C 31.075 0.30 1 925 90 90 VAL CG1 C 21.060 0.30 1 926 90 90 VAL CG2 C 22.071 0.30 1 927 90 90 VAL N N 129.088 0.30 1 928 91 91 LEU H H 9.544 0.03 1 929 91 91 LEU HA H 5.208 0.03 1 930 91 91 LEU HB2 H 1.271 0.03 2 931 91 91 LEU HB3 H 1.880 0.03 2 932 91 91 LEU HD1 H 0.736 0.03 2 933 91 91 LEU HD2 H 0.769 0.03 2 934 91 91 LEU HG H 1.757 0.03 1 935 91 91 LEU C C 175.361 0.30 1 936 91 91 LEU CA C 53.330 0.30 1 937 91 91 LEU CB C 44.732 0.30 1 938 91 91 LEU CD1 C 25.511 0.30 1 939 91 91 LEU CD2 C 27.028 0.30 1 940 91 91 LEU CG C 26.522 0.30 1 941 91 91 LEU N N 129.988 0.30 1 942 92 92 ASN H H 8.696 0.03 1 943 92 92 ASN HA H 5.023 0.03 1 944 92 92 ASN HB2 H 2.638 0.03 2 945 92 92 ASN HB3 H 2.911 0.03 2 946 92 92 ASN HD21 H 7.438 0.03 2 947 92 92 ASN HD22 H 6.914 0.03 2 948 92 92 ASN C C 174.677 0.30 1 949 92 92 ASN CA C 52.319 0.30 1 950 92 92 ASN CB C 39.269 0.30 1 951 92 92 ASN N N 119.388 0.30 1 952 92 92 ASN ND2 N 111.288 0.30 1 953 93 93 LEU H H 8.432 0.03 1 954 93 93 LEU HA H 4.541 0.03 1 955 93 93 LEU HB2 H 1.695 0.03 2 956 93 93 LEU HB3 H 1.756 0.03 2 957 93 93 LEU HD1 H 0.843 0.03 2 958 93 93 LEU HD2 H 0.840 0.03 2 959 93 93 LEU C C 177.092 0.30 1 960 93 93 LEU CA C 53.735 0.30 1 961 93 93 LEU CB C 41.596 0.30 1 962 93 93 LEU CD1 C 26.320 0.30 1 963 93 93 LEU CD2 C 24.297 0.30 1 964 93 93 LEU CG C 27.185 0.30 1 965 93 93 LEU N N 125.388 0.30 1 966 94 94 GLY H H 8.716 0.03 1 967 94 94 GLY HA2 H 3.539 0.03 2 968 94 94 GLY HA3 H 4.265 0.03 2 969 94 94 GLY C C 174.951 0.30 1 970 94 94 GLY CA C 47.058 0.30 1 971 94 94 GLY N N 113.688 0.30 1 972 95 95 GLN H H 8.616 0.03 1 973 95 95 GLN HA H 4.323 0.03 1 974 95 95 GLN HB2 H 2.017 0.03 2 975 95 95 GLN HB3 H 2.263 0.03 2 976 95 95 GLN HE21 H 7.590 0.03 2 977 95 95 GLN HE22 H 6.875 0.03 2 978 95 95 GLN HG2 H 2.394 0.03 2 979 95 95 GLN HG3 H 2.394 0.03 2 980 95 95 GLN C C 175.315 0.30 1 981 95 95 GLN CA C 56.669 0.30 1 982 95 95 GLN CB C 29.254 0.30 1 983 95 95 GLN CG C 34.211 0.30 1 984 95 95 GLN N N 122.088 0.30 1 985 95 95 GLN NE2 N 113.088 0.30 1 986 96 96 ARG H H 7.508 0.03 1 987 96 96 ARG HA H 4.625 0.03 1 988 96 96 ARG HB2 H 1.835 0.03 2 989 96 96 ARG HB3 H 1.835 0.03 2 990 96 96 ARG HD2 H 3.172 0.03 2 991 96 96 ARG HD3 H 3.172 0.03 2 992 96 96 ARG HG2 H 1.581 0.03 2 993 96 96 ARG HG3 H 1.581 0.03 2 994 96 96 ARG C C 173.903 0.30 1 995 96 96 ARG CA C 55.050 0.30 1 996 96 96 ARG CB C 32.693 0.30 1 997 96 96 ARG CD C 43.315 0.30 1 998 96 96 ARG CG C 27.129 0.30 1 999 96 96 ARG N N 117.888 0.30 1 1000 97 97 VAL H H 8.028 0.03 1 1001 97 97 VAL HA H 5.070 0.03 1 1002 97 97 VAL HB H 1.856 0.03 1 1003 97 97 VAL HG1 H 0.879 0.03 2 1004 97 97 VAL HG2 H 0.785 0.03 2 1005 97 97 VAL C C 175.497 0.30 1 1006 97 97 VAL CA C 61.322 0.30 1 1007 97 97 VAL CB C 33.300 0.30 1 1008 97 97 VAL CG1 C 21.262 0.30 1 1009 97 97 VAL CG2 C 22.274 0.30 1 1010 97 97 VAL N N 123.488 0.30 1 1011 98 98 VAL H H 8.550 0.03 1 1012 98 98 VAL HA H 4.591 0.03 1 1013 98 98 VAL HB H 1.817 0.03 1 1014 98 98 VAL HG1 H 0.878 0.03 2 1015 98 98 VAL HG2 H 0.878 0.03 2 1016 98 98 VAL C C 173.402 0.30 1 1017 98 98 VAL CA C 60.614 0.30 1 1018 98 98 VAL CB C 36.942 0.30 1 1019 98 98 VAL CG1 C 21.262 0.30 1 1020 98 98 VAL CG2 C 21.262 0.30 1 1021 98 98 VAL N N 123.588 0.30 1 1022 99 99 GLY H H 9.178 0.03 1 1023 99 99 GLY HA2 H 2.986 0.03 2 1024 99 99 GLY HA3 H 5.435 0.03 2 1025 99 99 GLY C C 172.126 0.30 1 1026 99 99 GLY CA C 43.821 0.30 1 1027 99 99 GLY N N 113.688 0.30 1 1028 100 100 ILE H H 9.024 0.03 1 1029 100 100 ILE HA H 5.749 0.03 1 1030 100 100 ILE HB H 1.499 0.03 1 1031 100 100 ILE HD1 H 0.354 0.03 1 1032 100 100 ILE HG12 H 1.075 0.03 2 1033 100 100 ILE HG13 H 1.757 0.03 2 1034 100 100 ILE HG2 H 0.773 0.03 1 1035 100 100 ILE C C 174.355 0.30 1 1036 100 100 ILE CA C 57.782 0.30 1 1037 100 100 ILE CB C 40.685 0.30 1 1038 100 100 ILE CD1 C 13.198 0.30 1 1039 100 100 ILE CG1 C 25.612 0.30 1 1040 100 100 ILE CG2 C 18.227 0.30 1 1041 100 100 ILE N N 117.388 0.30 1 1042 101 101 VAL H H 8.827 0.03 1 1043 101 101 VAL HA H 4.995 0.03 1 1044 101 101 VAL HB H 2.086 0.03 1 1045 101 101 VAL HG1 H 0.965 0.03 2 1046 101 101 VAL HG2 H 0.933 0.03 2 1047 101 101 VAL C C 175.862 0.30 1 1048 101 101 VAL CA C 62.030 0.30 1 1049 101 101 VAL CB C 32.390 0.30 1 1050 101 101 VAL CG1 C 21.970 0.30 1 1051 101 101 VAL CG2 C 22.678 0.30 1 1052 101 101 VAL N N 124.488 0.30 1 1053 102 102 VAL H H 8.307 0.03 1 1054 102 102 VAL HA H 4.705 0.03 1 1055 102 102 VAL HB H 2.535 0.03 1 1056 102 102 VAL HG1 H 0.661 0.03 2 1057 102 102 VAL HG2 H 0.256 0.03 2 1058 102 102 VAL C C 174.039 0.30 1 1059 102 102 VAL CA C 58.793 0.30 1 1060 102 102 VAL CB C 34.818 0.30 1 1061 102 102 VAL CG1 C 18.632 0.30 1 1062 102 102 VAL CG2 C 22.375 0.30 1 1063 102 102 VAL N N 117.288 0.30 1 1064 103 103 ASP H H 7.995 0.03 1 1065 103 103 ASP HA H 4.845 0.03 1 1066 103 103 ASP HB2 H 2.722 0.03 2 1067 103 103 ASP HB3 H 2.722 0.03 2 1068 103 103 ASP C C 176.955 0.30 1 1069 103 103 ASP CA C 57.309 0.30 1 1070 103 103 ASP CB C 42.101 0.30 1 1071 103 103 ASP N N 117.788 0.30 1 1072 104 104 GLY H H 7.451 0.03 1 1073 104 104 GLY HA2 H 4.038 0.03 2 1074 104 104 GLY HA3 H 4.184 0.03 2 1075 104 104 GLY C C 171.442 0.30 1 1076 104 104 GLY CA C 45.440 0.30 1 1077 104 104 GLY N N 105.360 0.30 1 1078 105 105 VAL H H 8.635 0.03 1 1079 105 105 VAL HA H 5.016 0.03 1 1080 105 105 VAL HB H 2.125 0.03 1 1081 105 105 VAL HG1 H 1.025 0.03 2 1082 105 105 VAL HG2 H 1.054 0.03 2 1083 105 105 VAL C C 175.315 0.30 1 1084 105 105 VAL CA C 61.221 0.30 1 1085 105 105 VAL CB C 35.121 0.30 1 1086 105 105 VAL CG1 C 21.464 0.30 1 1087 105 105 VAL CG2 C 22.274 0.30 1 1088 105 105 VAL N N 117.888 0.30 1 1089 106 106 SER H H 8.898 0.03 1 1090 106 106 SER HA H 4.680 0.03 1 1091 106 106 SER HB2 H 3.696 0.03 2 1092 106 106 SER HB3 H 3.696 0.03 2 1093 106 106 SER C C 173.490 0.30 1 1094 106 106 SER CA C 57.276 0.30 1 1095 106 106 SER CB C 63.750 0.30 1 1096 106 106 SER N N 121.188 0.30 1 1097 107 107 ASP H H 8.140 0.03 1 1098 107 107 ASP HA H 4.694 0.03 1 1099 107 107 ASP HB2 H 2.450 0.03 2 1100 107 107 ASP HB3 H 2.692 0.03 2 1101 107 107 ASP C C 173.812 0.30 1 1102 107 107 ASP CA C 53.937 0.30 1 1103 107 107 ASP CB C 43.619 0.30 1 1104 107 107 ASP N N 120.888 0.30 1 1105 108 108 VAL H H 8.115 0.03 1 1106 108 108 VAL HA H 4.942 0.03 1 1107 108 108 VAL HB H 1.917 0.03 1 1108 108 108 VAL HG1 H 0.812 0.03 2 1109 108 108 VAL HG2 H 0.996 0.03 2 1110 108 108 VAL C C 176.135 0.30 1 1111 108 108 VAL CA C 62.207 0.30 1 1112 108 108 VAL CB C 33.199 0.30 1 1113 108 108 VAL CG1 C 21.667 0.30 1 1114 108 108 VAL CG2 C 22.071 0.30 1 1115 108 108 VAL N N 118.588 0.30 1 1116 109 109 LEU H H 9.001 0.03 1 1117 109 109 LEU HA H 4.854 0.03 1 1118 109 109 LEU HB2 H 1.487 0.03 2 1119 109 109 LEU HB3 H 1.530 0.03 2 1120 109 109 LEU HD1 H 0.822 0.03 2 1121 109 109 LEU HD2 H 0.822 0.03 2 1122 109 109 LEU HG H 1.549 0.03 1 1123 109 109 LEU C C 175.406 0.30 1 1124 109 109 LEU CA C 53.511 0.30 1 1125 109 109 LEU CB C 45.642 0.30 1 1126 109 109 LEU CD1 C 24.803 0.30 1 1127 109 109 LEU CD2 C 24.803 0.30 1 1128 109 109 LEU CG C 26.522 0.30 1 1129 109 109 LEU N N 127.488 0.30 1 1130 110 110 SER H H 8.416 0.03 1 1131 110 110 SER HA H 5.270 0.03 1 1132 110 110 SER HB2 H 3.674 0.03 2 1133 110 110 SER HB3 H 3.739 0.03 2 1134 110 110 SER C C 173.948 0.30 1 1135 110 110 SER CA C 56.972 0.30 1 1136 110 110 SER CB C 64.256 0.30 1 1137 110 110 SER N N 117.388 0.30 1 1138 111 111 LEU H H 8.807 0.03 1 1139 111 111 LEU HA H 5.061 0.03 1 1140 111 111 LEU HB2 H 1.723 0.03 2 1141 111 111 LEU HB3 H 1.723 0.03 2 1142 111 111 LEU HD1 H 0.549 0.03 2 1143 111 111 LEU HD2 H 0.734 0.03 2 1144 111 111 LEU HG H 1.583 0.03 1 1145 111 111 LEU C C 177.320 0.30 1 1146 111 111 LEU CA C 53.735 0.30 1 1147 111 111 LEU CB C 45.642 0.30 1 1148 111 111 LEU CD1 C 26.725 0.30 1 1149 111 111 LEU CD2 C 24.803 0.30 1 1150 111 111 LEU CG C 27.534 0.30 1 1151 111 111 LEU N N 125.688 0.30 1 1152 112 112 THR H H 8.787 0.03 1 1153 112 112 THR HA H 4.609 0.03 1 1154 112 112 THR HB H 4.634 0.03 1 1155 112 112 THR HG2 H 1.233 0.03 1 1156 112 112 THR C C 175.998 0.30 1 1157 112 112 THR CA C 60.412 0.30 1 1158 112 112 THR CB C 70.782 0.30 1 1159 112 112 THR CG2 C 21.869 0.30 1 1160 112 112 THR N N 114.288 0.30 1 1161 113 113 ALA H H 8.704 0.03 1 1162 113 113 ALA HA H 4.025 0.03 1 1163 113 113 ALA HB H 1.480 0.03 1 1164 113 113 ALA C C 180.514 0.30 1 1165 113 113 ALA CA C 55.657 0.30 1 1166 113 113 ALA CB C 18.328 0.30 1 1167 113 113 ALA N N 122.588 0.30 1 1168 114 114 GLU H H 8.341 0.03 1 1169 114 114 GLU HA H 4.205 0.03 1 1170 114 114 GLU HB2 H 2.021 0.03 2 1171 114 114 GLU HB3 H 2.115 0.03 2 1172 114 114 GLU HG2 H 2.307 0.03 2 1173 114 114 GLU HG3 H 2.390 0.03 2 1174 114 114 GLU C C 177.730 0.30 1 1175 114 114 GLU CA C 58.287 0.30 1 1176 114 114 GLU CB C 29.153 0.30 1 1177 114 114 GLU CG C 36.841 0.30 1 1178 114 114 GLU N N 114.888 0.30 1 1179 115 115 GLN H H 7.806 0.03 1 1180 115 115 GLN HA H 4.371 0.03 1 1181 115 115 GLN HB2 H 2.328 0.03 2 1182 115 115 GLN HB3 H 2.446 0.03 2 1183 115 115 GLN HE21 H 7.578 0.03 2 1184 115 115 GLN HE22 H 6.659 0.03 2 1185 115 115 GLN HG2 H 2.346 0.03 2 1186 115 115 GLN HG3 H 2.462 0.03 2 1187 115 115 GLN C C 174.267 0.30 1 1188 115 115 GLN CA C 56.163 0.30 1 1189 115 115 GLN CB C 30.063 0.30 1 1190 115 115 GLN CG C 35.121 0.30 1 1191 115 115 GLN N N 118.788 0.30 1 1192 115 115 GLN NE2 N 111.388 0.30 1 1193 116 116 ILE H H 7.273 0.03 1 1194 116 116 ILE HA H 4.468 0.03 1 1195 116 116 ILE HB H 1.771 0.03 1 1196 116 116 ILE HD1 H 0.750 0.03 1 1197 116 116 ILE HG12 H 0.643 0.03 2 1198 116 116 ILE HG13 H 1.728 0.03 2 1199 116 116 ILE HG2 H 0.736 0.03 1 1200 116 116 ILE C C 175.315 0.30 1 1201 116 116 ILE CA C 61.525 0.30 1 1202 116 116 ILE CB C 38.763 0.30 1 1203 116 116 ILE CD1 C 13.198 0.30 1 1204 116 116 ILE CG1 C 28.040 0.30 1 1205 116 116 ILE CG2 C 17.317 0.30 1 1206 116 116 ILE N N 120.788 0.30 1 1207 117 117 ARG H H 9.194 0.03 1 1208 117 117 ARG HA H 4.457 0.03 1 1209 117 117 ARG HB2 H 1.214 0.03 2 1210 117 117 ARG HB3 H 2.307 0.03 2 1211 117 117 ARG HG2 H 1.697 0.03 2 1212 117 117 ARG HG3 H 1.697 0.03 2 1213 117 117 ARG CA C 62.334 0.30 1 1214 117 117 ARG CB C 32.693 0.30 1 1215 117 117 ARG CG C 26.725 0.30 1 1216 117 117 ARG N N 129.088 0.30 1 1217 118 118 PRO HA H 4.482 0.03 1 1218 118 118 PRO HB2 H 1.795 0.03 2 1219 118 118 PRO HB3 H 2.352 0.03 2 1220 118 118 PRO HD2 H 3.572 0.03 2 1221 118 118 PRO HD3 H 3.841 0.03 2 1222 118 118 PRO HG2 H 1.742 0.03 2 1223 118 118 PRO HG3 H 2.012 0.03 2 1224 118 118 PRO C C 175.269 0.30 1 1225 118 118 PRO CA C 62.738 0.30 1 1226 118 118 PRO CB C 32.086 0.30 1 1227 118 118 PRO CD C 50.801 0.30 1 1228 118 118 PRO CG C 30.467 0.30 1 1229 119 119 ALA H H 8.413 0.03 1 1230 119 119 ALA HA H 3.987 0.03 1 1231 119 119 ALA HB H 1.160 0.03 1 1232 119 119 ALA C C 174.677 0.30 1 1233 119 119 ALA CA C 50.599 0.30 1 1234 119 119 ALA CB C 17.721 0.30 1 1235 119 119 ALA N N 123.088 0.30 1 1236 120 120 PRO HA H 4.277 0.03 1 1237 120 120 PRO HB2 H 1.375 0.03 2 1238 120 120 PRO HB3 H 1.811 0.03 2 1239 120 120 PRO HD2 H 3.369 0.03 2 1240 120 120 PRO HD3 H 3.537 0.03 2 1241 120 120 PRO HG2 H 1.766 0.03 2 1242 120 120 PRO HG3 H 1.824 0.03 2 1243 120 120 PRO C C 176.636 0.30 1 1244 120 120 PRO CA C 62.536 0.30 1 1245 120 120 PRO CB C 31.783 0.30 1 1246 120 120 PRO CD C 49.790 0.30 1 1247 120 120 PRO CG C 27.332 0.30 1 1248 121 121 GLU H H 8.632 0.03 1 1249 121 121 GLU HA H 4.082 0.03 1 1250 121 121 GLU HB2 H 1.849 0.03 2 1251 121 121 GLU HB3 H 1.956 0.03 2 1252 121 121 GLU HG2 H 2.069 0.03 2 1253 121 121 GLU HG3 H 2.208 0.03 2 1254 121 121 GLU C C 176.317 0.30 1 1255 121 121 GLU CA C 57.175 0.30 1 1256 121 121 GLU CB C 29.861 0.30 1 1257 121 121 GLU CG C 36.537 0.30 1 1258 121 121 GLU N N 120.288 0.30 1 1259 122 122 PHE H H 7.235 0.03 1 1260 122 122 PHE HA H 4.686 0.03 1 1261 122 122 PHE HB2 H 3.115 0.03 2 1262 122 122 PHE HB3 H 3.115 0.03 2 1263 122 122 PHE C C 174.407 0.30 1 1264 122 122 PHE CA C 55.859 0.30 1 1265 122 122 PHE CB C 39.673 0.30 1 1266 122 122 PHE N N 117.088 0.30 1 1267 123 123 ALA H H 8.222 0.03 1 1268 123 123 ALA HA H 4.270 0.03 1 1269 123 123 ALA HB H 1.380 0.03 1 1270 123 123 ALA C C 177.411 0.30 1 1271 123 123 ALA CA C 53.229 0.30 1 1272 123 123 ALA CB C 19.340 0.30 1 1273 123 123 ALA N N 124.388 0.30 1 1274 124 124 VAL H H 8.308 0.03 1 1275 124 124 VAL HA H 4.441 0.03 1 1276 124 124 VAL HB H 2.300 0.03 1 1277 124 124 VAL HG1 H 0.958 0.03 2 1278 124 124 VAL HG2 H 0.918 0.03 2 1279 124 124 VAL C C 176.272 0.30 1 1280 124 124 VAL CA C 61.120 0.30 1 1281 124 124 VAL CB C 33.806 0.30 1 1282 124 124 VAL CG1 C 20.048 0.30 1 1283 124 124 VAL CG2 C 21.970 0.30 1 1284 124 124 VAL N N 117.288 0.30 1 1285 125 125 THR H H 8.566 0.03 1 1286 125 125 THR HA H 3.995 0.03 1 1287 125 125 THR HB H 4.189 0.03 1 1288 125 125 THR HG2 H 1.158 0.03 1 1289 125 125 THR C C 174.996 0.30 1 1290 125 125 THR CA C 65.571 0.30 1 1291 125 125 THR CB C 68.648 0.30 1 1292 125 125 THR CG2 C 22.172 0.30 1 1293 125 125 THR N N 116.688 0.30 1 1294 126 126 LEU H H 7.239 0.03 1 1295 126 126 LEU HA H 3.889 0.03 1 1296 126 126 LEU HB2 H 1.357 0.03 2 1297 126 126 LEU HB3 H 1.357 0.03 2 1298 126 126 LEU HD1 H 0.385 0.03 2 1299 126 126 LEU HD2 H 0.311 0.03 2 1300 126 126 LEU HG H 1.203 0.03 1 1301 126 126 LEU C C 175.634 0.30 1 1302 126 126 LEU CA C 54.848 0.30 1 1303 126 126 LEU CB C 43.012 0.30 1 1304 126 126 LEU CD1 C 24.600 0.30 1 1305 126 126 LEU CD2 C 24.600 0.30 1 1306 126 126 LEU CG C 27.838 0.30 1 1307 126 126 LEU N N 121.188 0.30 1 1308 127 127 SER H H 7.355 0.03 1 1309 127 127 SER HA H 4.360 0.03 1 1310 127 127 SER HB2 H 3.931 0.03 2 1311 127 127 SER HB3 H 3.931 0.03 2 1312 127 127 SER C C 175.269 0.30 1 1313 127 127 SER CA C 58.591 0.30 1 1314 127 127 SER CB C 63.447 0.30 1 1315 127 127 SER N N 114.688 0.30 1 1316 128 128 THR H H 8.186 0.03 1 1317 128 128 THR HA H 3.782 0.03 1 1318 128 128 THR HB H 4.129 0.03 1 1319 128 128 THR HG2 H 1.209 0.03 1 1320 128 128 THR C C 176.090 0.30 1 1321 128 128 THR CA C 65.268 0.30 1 1322 128 128 THR CB C 69.024 0.30 1 1323 128 128 THR CG2 C 22.071 0.30 1 1324 128 128 THR N N 117.388 0.30 1 1325 129 129 GLU H H 8.743 0.03 1 1326 129 129 GLU HA H 4.076 0.03 1 1327 129 129 GLU HB2 H 1.646 0.03 2 1328 129 129 GLU HB3 H 1.698 0.03 2 1329 129 129 GLU HG2 H 1.722 0.03 2 1330 129 129 GLU HG3 H 1.722 0.03 2 1331 129 129 GLU C C 176.864 0.30 1 1332 129 129 GLU CA C 58.490 0.30 1 1333 129 129 GLU CB C 29.051 0.30 1 1334 129 129 GLU CG C 35.526 0.30 1 1335 129 129 GLU N N 121.488 0.30 1 1336 130 130 TYR H H 7.600 0.03 1 1337 130 130 TYR HA H 4.663 0.03 1 1338 130 130 TYR HB2 H 2.769 0.03 2 1339 130 130 TYR HB3 H 3.311 0.03 2 1340 130 130 TYR HD1 H 6.982 0.03 3 1341 130 130 TYR HD2 H 6.982 0.03 3 1342 130 130 TYR C C 174.360 0.30 1 1343 130 130 TYR CA C 57.073 0.30 1 1344 130 130 TYR CB C 38.460 0.30 1 1345 130 130 TYR N N 115.988 0.30 1 1346 131 131 LEU H H 7.724 0.03 1 1347 131 131 LEU HA H 5.052 0.03 1 1348 131 131 LEU HB2 H 1.395 0.03 2 1349 131 131 LEU HB3 H 1.865 0.03 2 1350 131 131 LEU HD1 H 0.774 0.03 2 1351 131 131 LEU HD2 H 0.767 0.03 2 1352 131 131 LEU HG H 1.857 0.03 1 1353 131 131 LEU C C 177.589 0.30 1 1354 131 131 LEU CA C 54.443 0.30 1 1355 131 131 LEU CB C 43.012 0.30 1 1356 131 131 LEU CD1 C 23.892 0.30 1 1357 131 131 LEU CD2 C 23.488 0.30 1 1358 131 131 LEU CG C 26.320 0.30 1 1359 131 131 LEU N N 120.488 0.30 1 1360 132 132 THR H H 8.961 0.03 1 1361 132 132 THR HA H 4.518 0.03 1 1362 132 132 THR HB H 4.077 0.03 1 1363 132 132 THR HG2 H 1.158 0.03 1 1364 132 132 THR C C 175.178 0.30 1 1365 132 132 THR CA C 62.536 0.30 1 1366 132 132 THR CB C 69.610 0.30 1 1367 132 132 THR CG2 C 22.172 0.30 1 1368 132 132 THR N N 115.788 0.30 1 1369 133 133 GLY H H 7.467 0.03 1 1370 133 133 GLY HA2 H 4.003 0.03 2 1371 133 133 GLY HA3 H 4.003 0.03 2 1372 133 133 GLY C C 174.130 0.30 1 1373 133 133 GLY CA C 45.237 0.30 1 1374 133 133 GLY N N 107.688 0.30 1 1375 134 134 LEU H H 8.565 0.03 1 1376 134 134 LEU HA H 5.077 0.03 1 1377 134 134 LEU HB2 H 1.284 0.03 2 1378 134 134 LEU HB3 H 1.466 0.03 2 1379 134 134 LEU HD1 H 0.816 0.03 2 1380 134 134 LEU HD2 H 0.816 0.03 2 1381 134 134 LEU HG H 1.412 0.03 1 1382 134 134 LEU C C 175.634 0.30 1 1383 134 134 LEU CA C 53.432 0.30 1 1384 134 134 LEU CB C 45.642 0.30 1 1385 134 134 LEU CD1 C 25.410 0.30 1 1386 134 134 LEU CD2 C 25.410 0.30 1 1387 134 134 LEU CG C 27.129 0.30 1 1388 134 134 LEU N N 122.088 0.30 1 1389 135 135 GLY H H 9.803 0.03 1 1390 135 135 GLY HA2 H 2.925 0.03 2 1391 135 135 GLY HA3 H 4.859 0.03 2 1392 135 135 GLY C C 171.442 0.30 1 1393 135 135 GLY CA C 44.934 0.30 1 1394 135 135 GLY N N 112.788 0.30 1 1395 136 136 ALA H H 8.701 0.03 1 1396 136 136 ALA HA H 4.972 0.03 1 1397 136 136 ALA HB H 1.232 0.03 1 1398 136 136 ALA C C 175.771 0.30 1 1399 136 136 ALA CA C 51.512 0.30 1 1400 136 136 ALA CB C 19.947 0.30 1 1401 136 136 ALA N N 128.988 0.30 1 1402 137 137 LEU H H 8.105 0.03 1 1403 137 137 LEU HA H 4.591 0.03 1 1404 137 137 LEU HB2 H 1.409 0.03 2 1405 137 137 LEU HB3 H 1.649 0.03 2 1406 137 137 LEU HD1 H 0.880 0.03 2 1407 137 137 LEU HD2 H 0.880 0.03 2 1408 137 137 LEU HG H 1.463 0.03 1 1409 137 137 LEU C C 177.229 0.30 1 1410 137 137 LEU CA C 53.634 0.30 1 1411 137 137 LEU CB C 42.506 0.30 1 1412 137 137 LEU CD1 C 25.410 0.30 1 1413 137 137 LEU CD2 C 25.410 0.30 1 1414 137 137 LEU CG C 27.332 0.30 1 1415 137 137 LEU N N 126.288 0.30 1 1416 138 138 GLY H H 8.666 0.03 1 1417 138 138 GLY HA2 H 3.582 0.03 2 1418 138 138 GLY HA3 H 4.022 0.03 2 1419 138 138 GLY C C 174.632 0.30 1 1420 138 138 GLY CA C 47.362 0.30 1 1421 138 138 GLY N N 115.688 0.30 1 1422 139 139 ASP H H 8.666 0.03 1 1423 139 139 ASP HA H 4.611 0.03 1 1424 139 139 ASP HB2 H 2.513 0.03 2 1425 139 139 ASP HB3 H 2.626 0.03 2 1426 139 139 ASP C C 175.315 0.30 1 1427 139 139 ASP CA C 54.544 0.30 1 1428 139 139 ASP CB C 40.887 0.30 1 1429 139 139 ASP N N 126.288 0.30 1 1430 140 140 ARG H H 7.807 0.03 1 1431 140 140 ARG HA H 4.372 0.03 1 1432 140 140 ARG HB2 H 1.731 0.03 2 1433 140 140 ARG HB3 H 1.995 0.03 2 1434 140 140 ARG HD2 H 2.914 0.03 2 1435 140 140 ARG HD3 H 3.133 0.03 2 1436 140 140 ARG HE H 8.279 0.03 1 1437 140 140 ARG HG2 H 1.390 0.03 2 1438 140 140 ARG HG3 H 1.650 0.03 2 1439 140 140 ARG C C 174.130 0.30 1 1440 140 140 ARG CA C 55.758 0.30 1 1441 140 140 ARG CB C 32.289 0.30 1 1442 140 140 ARG CD C 44.530 0.30 1 1443 140 140 ARG CG C 26.421 0.30 1 1444 140 140 ARG N N 122.288 0.30 1 1445 140 140 ARG NE N 84.960 0.30 1 1446 141 141 MET H H 8.453 0.03 1 1447 141 141 MET HA H 5.134 0.03 1 1448 141 141 MET HB2 H 1.790 0.03 2 1449 141 141 MET HB3 H 1.959 0.03 2 1450 141 141 MET HE H 1.980 0.03 1 1451 141 141 MET HG2 H 2.343 0.03 2 1452 141 141 MET HG3 H 2.549 0.03 2 1453 141 141 MET C C 175.907 0.30 1 1454 141 141 MET CA C 53.735 0.30 1 1455 141 141 MET CB C 34.312 0.30 1 1456 141 141 MET CE C 17.519 0.30 1 1457 141 141 MET CG C 32.187 0.30 1 1458 141 141 MET N N 125.088 0.30 1 1459 142 142 LEU H H 9.081 0.03 1 1460 142 142 LEU HA H 4.367 0.03 1 1461 142 142 LEU HB2 H 1.107 0.03 2 1462 142 142 LEU HB3 H 1.107 0.03 2 1463 142 142 LEU HD1 H 0.557 0.03 2 1464 142 142 LEU HD2 H 0.531 0.03 2 1465 142 142 LEU HG H 1.222 0.03 1 1466 142 142 LEU C C 175.087 0.30 1 1467 142 142 LEU CA C 53.027 0.30 1 1468 142 142 LEU CB C 44.833 0.30 1 1469 142 142 LEU CD1 C 25.612 0.30 1 1470 142 142 LEU CD2 C 25.612 0.30 1 1471 142 142 LEU CG C 27.028 0.30 1 1472 142 142 LEU N N 125.388 0.30 1 1473 143 143 ILE H H 8.414 0.03 1 1474 143 143 ILE HA H 3.970 0.03 1 1475 143 143 ILE HB H 1.482 0.03 1 1476 143 143 ILE HD1 H 0.513 0.03 1 1477 143 143 ILE HG12 H 1.451 0.03 2 1478 143 143 ILE HG13 H 0.674 0.03 2 1479 143 143 ILE HG2 H 0.876 0.03 1 1480 143 143 ILE C C 175.061 0.30 1 1481 143 143 ILE CA C 62.334 0.30 1 1482 143 143 ILE CB C 37.043 0.30 1 1483 143 143 ILE CD1 C 13.336 0.30 1 1484 143 143 ILE CG1 C 27.736 0.30 1 1485 143 143 ILE CG2 C 20.857 0.30 1 1486 143 143 ILE N N 127.388 0.30 1 1487 144 144 LEU H H 8.340 0.03 1 1488 144 144 LEU HA H 4.626 0.03 1 1489 144 144 LEU HB2 H 1.012 0.03 2 1490 144 144 LEU HB3 H 1.553 0.03 2 1491 144 144 LEU HD1 H 0.267 0.03 2 1492 144 144 LEU HD2 H -0.290 0.03 2 1493 144 144 LEU HG H 1.229 0.03 1 1494 144 144 LEU C C 176.773 0.30 1 1495 144 144 LEU CA C 54.650 0.30 1 1496 144 144 LEU CB C 40.179 0.30 1 1497 144 144 LEU CD1 C 25.713 0.30 1 1498 144 144 LEU CD2 C 20.958 0.30 1 1499 144 144 LEU CG C 26.320 0.30 1 1500 144 144 LEU N N 129.088 0.30 1 1501 145 145 VAL H H 8.337 0.03 1 1502 145 145 VAL HA H 4.667 0.03 1 1503 145 145 VAL HB H 2.161 0.03 1 1504 145 145 VAL HG1 H 0.985 0.03 2 1505 145 145 VAL HG2 H 1.129 0.03 2 1506 145 145 VAL C C 175.178 0.30 1 1507 145 145 VAL CA C 61.423 0.30 1 1508 145 145 VAL CB C 34.818 0.30 1 1509 145 145 VAL CG1 C 21.667 0.30 1 1510 145 145 VAL CG2 C 22.881 0.30 1 1511 145 145 VAL N N 122.488 0.30 1 1512 146 146 ASN H H 9.215 0.03 1 1513 146 146 ASN HA H 4.950 0.03 1 1514 146 146 ASN HB2 H 2.573 0.03 2 1515 146 146 ASN HB3 H 3.067 0.03 2 1516 146 146 ASN HD21 H 7.848 0.03 2 1517 146 146 ASN HD22 H 7.223 0.03 2 1518 146 146 ASN C C 175.771 0.30 1 1519 146 146 ASN CA C 51.512 0.30 1 1520 146 146 ASN CB C 37.043 0.30 1 1521 146 146 ASN N N 125.588 0.30 1 1522 146 146 ASN ND2 N 112.788 0.30 1 1523 147 147 ILE HA H 4.024 0.03 1 1524 147 147 ILE HB H 1.937 0.03 1 1525 147 147 ILE HD1 H 0.945 0.03 1 1526 147 147 ILE HG12 H 1.425 0.03 2 1527 147 147 ILE HG13 H 1.555 0.03 2 1528 147 147 ILE HG2 H 1.068 0.03 1 1529 147 147 ILE CA C 61.626 0.30 1 1530 147 147 ILE CB C 38.864 0.30 1 1531 147 147 ILE CG1 C 28.748 0.30 1 1532 147 147 ILE CG2 C 19.340 0.30 1 1533 148 148 GLU H H 8.394 0.03 1 1534 148 148 GLU HA H 4.009 0.03 1 1535 148 148 GLU HB2 H 2.117 0.03 2 1536 148 148 GLU HB3 H 2.161 0.03 2 1537 148 148 GLU HG2 H 2.349 0.03 2 1538 148 148 GLU HG3 H 2.349 0.03 2 1539 148 148 GLU C C 177.640 0.30 1 1540 148 148 GLU CA C 59.501 0.30 1 1541 148 148 GLU CB C 29.355 0.30 1 1542 148 148 GLU CG C 37.246 0.30 1 1543 148 148 GLU N N 120.888 0.30 1 1544 149 149 LYS H H 7.410 0.03 1 1545 149 149 LYS HA H 4.316 0.03 1 1546 149 149 LYS HB2 H 1.793 0.03 2 1547 149 149 LYS HB3 H 1.950 0.03 2 1548 149 149 LYS HG2 H 1.375 0.03 2 1549 149 149 LYS HG3 H 1.952 0.03 2 1550 149 149 LYS C C 177.640 0.30 1 1551 149 149 LYS CA C 56.844 0.30 1 1552 149 149 LYS CB C 33.503 0.30 1 1553 149 149 LYS N N 117.688 0.30 1 1554 150 150 LEU H H 7.532 0.03 1 1555 150 150 LEU HA H 3.757 0.03 1 1556 150 150 LEU HB2 H 1.472 0.03 2 1557 150 150 LEU HB3 H 1.579 0.03 2 1558 150 150 LEU HD1 H 0.668 0.03 2 1559 150 150 LEU HD2 H 0.572 0.03 2 1560 150 150 LEU HG H 1.467 0.03 1 1561 150 150 LEU C C 176.870 0.30 1 1562 150 150 LEU CA C 58.085 0.30 1 1563 150 150 LEU CB C 42.810 0.30 1 1564 150 150 LEU CD1 C 24.904 0.30 1 1565 150 150 LEU CD2 C 24.499 0.30 1 1566 150 150 LEU CG C 26.826 0.30 1 1567 150 150 LEU N N 119.388 0.30 1 1568 151 151 LEU H H 7.721 0.03 1 1569 151 151 LEU HA H 4.546 0.03 1 1570 151 151 LEU HB2 H 1.714 0.03 2 1571 151 151 LEU HB3 H 1.714 0.03 2 1572 151 151 LEU HD1 H 0.845 0.03 2 1573 151 151 LEU HD2 H 0.794 0.03 2 1574 151 151 LEU C C 176.272 0.30 1 1575 151 151 LEU CA C 54.110 0.30 1 1576 151 151 LEU CB C 42.708 0.30 1 1577 151 151 LEU CD1 C 24.671 0.30 1 1578 151 151 LEU CD2 C 24.671 0.30 1 1579 151 151 LEU N N 116.388 0.30 1 1580 152 152 ASN HA H 4.832 0.03 1 1581 152 152 ASN HB2 H 2.969 0.03 2 1582 152 152 ASN HB3 H 3.135 0.03 2 1583 152 152 ASN HD21 H 7.536 0.03 2 1584 152 152 ASN HD22 H 6.951 0.03 2 1585 152 152 ASN CB C 38.864 0.30 1 1586 152 152 ASN ND2 N 112.188 0.30 1 1587 153 153 SER C C 176.682 0.30 1 1588 154 154 GLU H H 8.604 0.03 1 1589 154 154 GLU HA H 4.135 0.03 1 1590 154 154 GLU HB2 H 2.126 0.03 2 1591 154 154 GLU HB3 H 2.126 0.03 2 1592 154 154 GLU HG2 H 2.332 0.03 2 1593 154 154 GLU HG3 H 2.332 0.03 2 1594 154 154 GLU C C 179.233 0.30 1 1595 154 154 GLU CA C 59.704 0.30 1 1596 154 154 GLU CB C 29.254 0.30 1 1597 154 154 GLU CG C 36.740 0.30 1 1598 154 154 GLU N N 124.588 0.30 1 1599 155 155 GLU H H 8.660 0.03 1 1600 155 155 GLU HA H 4.079 0.03 1 1601 155 155 GLU HB2 H 2.253 0.03 2 1602 155 155 GLU HB3 H 2.253 0.03 2 1603 155 155 GLU HG2 H 2.452 0.03 2 1604 155 155 GLU HG3 H 2.452 0.03 2 1605 155 155 GLU C C 178.368 0.30 1 1606 155 155 GLU CA C 58.894 0.30 1 1607 155 155 GLU CB C 29.557 0.30 1 1608 155 155 GLU CG C 36.740 0.30 1 1609 155 155 GLU N N 120.588 0.30 1 1610 156 156 MET H H 8.187 0.03 1 1611 156 156 MET HA H 4.303 0.03 1 1612 156 156 MET HB2 H 2.125 0.03 2 1613 156 156 MET HB3 H 2.125 0.03 2 1614 156 156 MET HE H 1.926 0.03 1 1615 156 156 MET HG2 H 2.458 0.03 2 1616 156 156 MET HG3 H 2.682 0.03 2 1617 156 156 MET C C 177.456 0.30 1 1618 156 156 MET CA C 56.972 0.30 1 1619 156 156 MET CB C 31.682 0.30 1 1620 156 156 MET CE C 17.215 0.30 1 1621 156 156 MET CG C 32.997 0.30 1 1622 156 156 MET N N 117.688 0.30 1 1623 157 157 ALA H H 7.690 0.03 1 1624 157 157 ALA HA H 4.236 0.03 1 1625 157 157 ALA HB H 1.505 0.03 1 1626 157 157 ALA C C 179.871 0.30 1 1627 157 157 ALA CA C 54.544 0.30 1 1628 157 157 ALA CB C 18.227 0.30 1 1629 157 157 ALA N N 121.488 0.30 1 1630 158 158 LEU H H 7.838 0.03 1 1631 158 158 LEU HA H 4.220 0.03 1 1632 158 158 LEU HB2 H 1.455 0.03 2 1633 158 158 LEU HB3 H 1.861 0.03 2 1634 158 158 LEU HD1 H 0.897 0.03 2 1635 158 158 LEU HD2 H 0.897 0.03 2 1636 158 158 LEU HG H 1.757 0.03 1 1637 158 158 LEU C C 179.051 0.30 1 1638 158 158 LEU CA C 56.972 0.30 1 1639 158 158 LEU CB C 41.697 0.30 1 1640 158 158 LEU CD1 C 23.590 0.30 1 1641 158 158 LEU CD2 C 23.590 0.30 1 1642 158 158 LEU CG C 27.028 0.30 1 1643 158 158 LEU N N 119.688 0.30 1 1644 159 159 LEU H H 7.901 0.03 1 1645 159 159 LEU HA H 4.053 0.03 1 1646 159 159 LEU HB2 H 1.540 0.03 2 1647 159 159 LEU HB3 H 1.913 0.03 2 1648 159 159 LEU HD1 H 0.891 0.03 2 1649 159 159 LEU HD2 H 0.791 0.03 2 1650 159 159 LEU C C 178.094 0.30 1 1651 159 159 LEU CA C 56.972 0.30 1 1652 159 159 LEU CB C 41.697 0.30 1 1653 159 159 LEU CD1 C 25.814 0.30 1 1654 159 159 LEU CD2 C 23.690 0.30 1 1655 159 159 LEU CG C 26.921 0.30 1 1656 159 159 LEU N N 120.988 0.30 1 1657 160 160 ASP H H 8.220 0.03 1 1658 160 160 ASP HA H 4.491 0.03 1 1659 160 160 ASP HB2 H 2.730 0.03 2 1660 160 160 ASP HB3 H 2.730 0.03 2 1661 160 160 ASP C C 178.140 0.30 1 1662 160 160 ASP CA C 56.163 0.30 1 1663 160 160 ASP CB C 40.685 0.30 1 1664 160 160 ASP N N 120.588 0.30 1 1665 161 161 SER H H 8.016 0.03 1 1666 161 161 SER HA H 4.345 0.03 1 1667 161 161 SER HB2 H 3.965 0.03 2 1668 161 161 SER HB3 H 3.965 0.03 2 1669 161 161 SER C C 175.680 0.30 1 1670 161 161 SER CA C 60.007 0.30 1 1671 161 161 SER CB C 63.447 0.30 1 1672 161 161 SER N N 116.088 0.30 1 1673 162 162 ALA H H 8.036 0.03 1 1674 162 162 ALA HA H 4.245 0.03 1 1675 162 162 ALA HB H 1.402 0.03 1 1676 162 162 ALA C C 178.003 0.30 1 1677 162 162 ALA CA C 53.330 0.30 1 1678 162 162 ALA CB C 18.632 0.30 1 1679 162 162 ALA N N 125.388 0.30 1 1680 163 163 ALA H H 8.013 0.03 1 1681 163 163 ALA HA H 4.240 0.03 1 1682 163 163 ALA HB H 1.410 0.03 1 1683 163 163 ALA C C 177.886 0.30 1 1684 163 163 ALA CA C 53.330 0.30 1 1685 163 163 ALA CB C 18.630 0.30 1 1686 163 163 ALA N N 120.688 0.30 1 1687 164 164 SER H H 7.889 0.03 1 1688 164 164 SER HA H 4.418 0.03 1 1689 164 164 SER HB2 H 3.922 0.03 2 1690 164 164 SER HB3 H 3.922 0.03 2 1691 164 164 SER C C 174.677 0.30 1 1692 164 164 SER CA C 58.995 0.30 1 1693 164 164 SER CB C 64.155 0.30 1 1694 164 164 SER N N 114.188 0.30 1 1695 165 165 GLU H H 8.121 0.03 1 1696 165 165 GLU HA H 4.324 0.03 1 1697 165 165 GLU HB2 H 1.969 0.03 2 1698 165 165 GLU HB3 H 2.073 0.03 2 1699 165 165 GLU HG2 H 2.247 0.03 2 1700 165 165 GLU HG3 H 2.247 0.03 2 1701 165 165 GLU C C 176.363 0.30 1 1702 165 165 GLU CA C 56.669 0.30 1 1703 165 165 GLU CB C 30.321 0.30 1 1704 165 165 GLU CG C 36.711 0.30 1 1705 165 165 GLU N N 122.888 0.30 1 1706 166 166 VAL H H 7.940 0.03 1 1707 166 166 VAL HA H 4.131 0.03 1 1708 166 166 VAL HB H 2.102 0.03 1 1709 166 166 VAL HG2 H 0.918 0.03 2 1710 166 166 VAL C C 174.814 0.30 1 1711 166 166 VAL CA C 62.334 0.30 1 1712 166 166 VAL CB C 32.703 0.30 1 1713 166 166 VAL CG2 C 21.262 0.30 1 1714 166 166 VAL N N 120.488 0.30 1 1715 167 167 ALA H H 7.868 0.03 1 1716 167 167 ALA HA H 4.126 0.03 1 1717 167 167 ALA HB H 1.323 0.03 1 1718 167 167 ALA C C 182.422 0.30 1 1719 167 167 ALA CA C 53.735 0.30 1 1720 167 167 ALA CB C 20.352 0.30 1 1721 167 167 ALA N N 133.950 0.30 1 stop_ save_