data_25358 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the periplasmic domain of a cellulose-sensing trans-membrane anti-sigma factor from Clostridium thermocellum ; _BMRB_accession_number 25358 _BMRB_flat_file_name bmr25358.str _Entry_type original _Submission_date 2014-11-20 _Accession_date 2014-11-20 _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 Ding Xiaoke . . 2 Chen Chao . . 3 Cui Qiu . . 4 Li Wenli . . 5 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 993 "13C chemical shifts" 741 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-19 update BMRB 'update entry citation' 2015-06-04 original author 'original release' stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of the periplasmic domain of a cellulose-sensing trans-membrane anti-sigma factor from Clostridium thermocellum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25682099 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ding Xiaoke . . 2 Chen Chao . . 3 Cui Qiu . . 4 Li Wenli . . 5 Feng Yingang . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 321 _Page_last 324 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'periplasmic domain of a cellulose-sensing trans-membrane anti-sigma factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsgI2-PD $RsgI2-PD 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_RsgI2-PD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RsgI2-PD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; MYAYIDVDINPSIGLVIDKK EKVIDAKPLNNDAKPILDEA APKDMPLYDALSKILDISKK NGYINSADNIVLFSASINSG RNNVSESDKGIQEIISTLKD VAKDAGVKFEIIPSTEEDRQ KALDQNLSMGRYAIYVKAVE EGVNLNLEDARNLSVSEILG KLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 TYR 3 ALA 4 TYR 5 ILE 6 ASP 7 VAL 8 ASP 9 ILE 10 ASN 11 PRO 12 SER 13 ILE 14 GLY 15 LEU 16 VAL 17 ILE 18 ASP 19 LYS 20 LYS 21 GLU 22 LYS 23 VAL 24 ILE 25 ASP 26 ALA 27 LYS 28 PRO 29 LEU 30 ASN 31 ASN 32 ASP 33 ALA 34 LYS 35 PRO 36 ILE 37 LEU 38 ASP 39 GLU 40 ALA 41 ALA 42 PRO 43 LYS 44 ASP 45 MET 46 PRO 47 LEU 48 TYR 49 ASP 50 ALA 51 LEU 52 SER 53 LYS 54 ILE 55 LEU 56 ASP 57 ILE 58 SER 59 LYS 60 LYS 61 ASN 62 GLY 63 TYR 64 ILE 65 ASN 66 SER 67 ALA 68 ASP 69 ASN 70 ILE 71 VAL 72 LEU 73 PHE 74 SER 75 ALA 76 SER 77 ILE 78 ASN 79 SER 80 GLY 81 ARG 82 ASN 83 ASN 84 VAL 85 SER 86 GLU 87 SER 88 ASP 89 LYS 90 GLY 91 ILE 92 GLN 93 GLU 94 ILE 95 ILE 96 SER 97 THR 98 LEU 99 LYS 100 ASP 101 VAL 102 ALA 103 LYS 104 ASP 105 ALA 106 GLY 107 VAL 108 LYS 109 PHE 110 GLU 111 ILE 112 ILE 113 PRO 114 SER 115 THR 116 GLU 117 GLU 118 ASP 119 ARG 120 GLN 121 LYS 122 ALA 123 LEU 124 ASP 125 GLN 126 ASN 127 LEU 128 SER 129 MET 130 GLY 131 ARG 132 TYR 133 ALA 134 ILE 135 TYR 136 VAL 137 LYS 138 ALA 139 VAL 140 GLU 141 GLU 142 GLY 143 VAL 144 ASN 145 LEU 146 ASN 147 LEU 148 GLU 149 ASP 150 ALA 151 ARG 152 ASN 153 LEU 154 SER 155 VAL 156 SER 157 GLU 158 ILE 159 LEU 160 GLY 161 LYS 162 LEU 163 GLU 164 HIS 165 HIS 166 HIS 167 HIS 168 HIS 169 HIS 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 $RsgI2-PD 'Ruminiclostridium thermocellum' 1515 Bacteria . Clostridium thermocellum 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 $RsgI2-PD 'recombinant technology' . Escherichia coli Rosetta(DE3) pET30a 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 $RsgI2-PD 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DSS 0.02 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 200 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HCCH-COSY' '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 RsgI2-PD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 1.9990 0.02 1 2 1 1 MET CE C 17.2050 0.3 1 3 2 2 TYR HA H 4.8040 0.02 1 4 2 2 TYR HB2 H 2.7730 0.02 2 5 2 2 TYR HB3 H 3.0130 0.02 2 6 2 2 TYR HD1 H 6.9980 0.02 3 7 2 2 TYR HD2 H 6.9980 0.02 3 8 2 2 TYR HE1 H 6.7700 0.02 3 9 2 2 TYR HE2 H 6.7700 0.02 3 10 2 2 TYR C C 173.4930 0.3 1 11 2 2 TYR CA C 58.3150 0.3 1 12 2 2 TYR CB C 40.0700 0.3 1 13 2 2 TYR CD1 C 133.3600 0.3 3 14 2 2 TYR CD2 C 133.3600 0.3 3 15 2 2 TYR CE1 C 117.8300 0.3 3 16 2 2 TYR CE2 C 117.8300 0.3 3 17 3 3 ALA H H 7.7500 0.02 1 18 3 3 ALA HA H 4.7740 0.02 1 19 3 3 ALA HB H 1.0430 0.02 1 20 3 3 ALA C C 173.0470 0.3 1 21 3 3 ALA CA C 50.7280 0.3 1 22 3 3 ALA CB C 22.6780 0.3 1 23 3 3 ALA N N 116.6130 0.2 1 24 4 4 TYR H H 8.6770 0.02 1 25 4 4 TYR HA H 5.0650 0.02 1 26 4 4 TYR HB2 H 3.2910 0.02 2 27 4 4 TYR HB3 H 2.6120 0.02 2 28 4 4 TYR HD1 H 7.0180 0.02 3 29 4 4 TYR HD2 H 7.0180 0.02 3 30 4 4 TYR HE1 H 6.6290 0.02 3 31 4 4 TYR HE2 H 6.6290 0.02 3 32 4 4 TYR C C 174.6470 0.3 1 33 4 4 TYR CA C 56.9400 0.3 1 34 4 4 TYR CB C 40.6210 0.3 1 35 4 4 TYR CD1 C 133.6600 0.3 3 36 4 4 TYR CD2 C 133.6600 0.3 3 37 4 4 TYR CE1 C 117.9040 0.3 3 38 4 4 TYR CE2 C 117.9040 0.3 3 39 4 4 TYR N N 119.1380 0.2 1 40 5 5 ILE H H 8.6470 0.02 1 41 5 5 ILE HA H 5.2040 0.02 1 42 5 5 ILE HB H 1.6890 0.02 1 43 5 5 ILE HG12 H 1.4870 0.02 2 44 5 5 ILE HG13 H 1.1340 0.02 2 45 5 5 ILE HG2 H 0.9200 0.02 1 46 5 5 ILE HD1 H 0.8070 0.02 1 47 5 5 ILE C C 173.4250 0.3 1 48 5 5 ILE CA C 59.6950 0.3 1 49 5 5 ILE CB C 42.7170 0.3 1 50 5 5 ILE CG1 C 29.0600 0.3 1 51 5 5 ILE CG2 C 18.6100 0.3 1 52 5 5 ILE CD1 C 16.3300 0.3 1 53 5 5 ILE N N 122.7340 0.2 1 54 6 6 ASP H H 8.9800 0.02 1 55 6 6 ASP HA H 6.1260 0.02 1 56 6 6 ASP HB2 H 2.8260 0.02 2 57 6 6 ASP HB3 H 2.4570 0.02 2 58 6 6 ASP C C 176.0580 0.3 1 59 6 6 ASP CA C 52.6290 0.3 1 60 6 6 ASP CB C 42.8760 0.3 1 61 6 6 ASP N N 127.3020 0.2 1 62 7 7 VAL H H 9.6310 0.02 1 63 7 7 VAL HA H 4.8320 0.02 1 64 7 7 VAL HB H 1.9250 0.02 1 65 7 7 VAL HG1 H 0.7090 0.02 2 66 7 7 VAL HG2 H 0.8450 0.02 2 67 7 7 VAL C C 173.0090 0.3 1 68 7 7 VAL CA C 60.1200 0.3 1 69 7 7 VAL CB C 35.1220 0.3 1 70 7 7 VAL CG1 C 20.7000 0.3 2 71 7 7 VAL CG2 C 21.4400 0.3 2 72 7 7 VAL N N 121.9710 0.2 1 73 8 8 ASP H H 9.3000 0.02 1 74 8 8 ASP HA H 5.3320 0.02 1 75 8 8 ASP HB2 H 2.5700 0.02 2 76 8 8 ASP HB3 H 2.3270 0.02 2 77 8 8 ASP C C 172.6150 0.3 1 78 8 8 ASP CA C 54.5020 0.3 1 79 8 8 ASP CB C 45.1370 0.3 1 80 8 8 ASP N N 126.4760 0.2 1 81 9 9 ILE H H 8.3590 0.02 1 82 9 9 ILE HA H 4.2160 0.02 1 83 9 9 ILE HB H 1.4100 0.02 1 84 9 9 ILE HG12 H 1.3980 0.02 2 85 9 9 ILE HG13 H 1.3980 0.02 2 86 9 9 ILE HG2 H 0.8200 0.02 1 87 9 9 ILE HD1 H 0.6530 0.02 1 88 9 9 ILE C C 175.7580 0.3 1 89 9 9 ILE CA C 58.7560 0.3 1 90 9 9 ILE CB C 41.8720 0.3 1 91 9 9 ILE CG1 C 28.5550 0.3 1 92 9 9 ILE CG2 C 18.5460 0.3 1 93 9 9 ILE CD1 C 14.3040 0.3 1 94 9 9 ILE N N 121.0910 0.2 1 95 10 10 ASN H H 10.1320 0.02 1 96 10 10 ASN HA H 4.8540 0.02 1 97 10 10 ASN HB2 H 3.6800 0.02 2 98 10 10 ASN HB3 H 2.6090 0.02 2 99 10 10 ASN C C 170.4980 0.3 1 100 10 10 ASN CA C 53.9220 0.3 1 101 10 10 ASN CB C 39.1880 0.3 1 102 10 10 ASN N N 124.6520 0.2 1 103 11 11 PRO HA H 4.1400 0.02 1 104 11 11 PRO HB2 H 1.3990 0.02 2 105 11 11 PRO HB3 H 1.3990 0.02 2 106 11 11 PRO HG2 H 1.1630 0.02 2 107 11 11 PRO HG3 H 1.1270 0.02 2 108 11 11 PRO HD2 H 2.4630 0.02 2 109 11 11 PRO HD3 H 2.4630 0.02 2 110 11 11 PRO C C 172.4350 0.3 1 111 11 11 PRO CA C 62.7700 0.3 1 112 11 11 PRO CB C 33.3500 0.3 1 113 11 11 PRO CG C 27.2900 0.3 1 114 11 11 PRO CD C 49.2550 0.3 1 115 12 12 SER H H 8.2870 0.02 1 116 12 12 SER HA H 5.5590 0.02 1 117 12 12 SER HB2 H 3.6530 0.02 2 118 12 12 SER HB3 H 3.5170 0.02 2 119 12 12 SER C C 172.2840 0.3 1 120 12 12 SER CA C 57.7660 0.3 1 121 12 12 SER CB C 65.0740 0.3 1 122 12 12 SER N N 121.7520 0.2 1 123 13 13 ILE H H 9.3300 0.02 1 124 13 13 ILE HA H 4.4830 0.02 1 125 13 13 ILE HB H 1.5380 0.02 1 126 13 13 ILE HG12 H 1.4630 0.02 2 127 13 13 ILE HG13 H 0.8780 0.02 2 128 13 13 ILE HG2 H 0.8440 0.02 1 129 13 13 ILE HD1 H 0.7050 0.02 1 130 13 13 ILE C C 172.1830 0.3 1 131 13 13 ILE CA C 60.6720 0.3 1 132 13 13 ILE CB C 44.1950 0.3 1 133 13 13 ILE CG1 C 29.6670 0.3 1 134 13 13 ILE CG2 C 18.2800 0.3 1 135 13 13 ILE CD1 C 14.9270 0.3 1 136 13 13 ILE N N 128.2520 0.2 1 137 14 14 GLY H H 9.2380 0.02 1 138 14 14 GLY HA2 H 3.4910 0.02 2 139 14 14 GLY HA3 H 5.6020 0.02 1 140 14 14 GLY C C 172.7980 0.3 1 141 14 14 GLY CA C 45.6830 0.3 1 142 14 14 GLY N N 115.1340 0.2 1 143 15 15 LEU H H 9.9600 0.02 1 144 15 15 LEU HA H 5.2590 0.02 1 145 15 15 LEU HB2 H 2.1480 0.02 2 146 15 15 LEU HB3 H 1.3140 0.02 2 147 15 15 LEU HG H 1.6810 0.02 1 148 15 15 LEU HD1 H 0.6990 0.02 2 149 15 15 LEU HD2 H 0.8070 0.02 2 150 15 15 LEU C C 176.0260 0.3 1 151 15 15 LEU CA C 53.6870 0.3 1 152 15 15 LEU CB C 45.0160 0.3 1 153 15 15 LEU CG C 27.0400 0.3 1 154 15 15 LEU CD1 C 26.2500 0.3 2 155 15 15 LEU CD2 C 24.1730 0.3 2 156 15 15 LEU N N 124.2430 0.2 1 157 16 16 VAL H H 8.3010 0.02 1 158 16 16 VAL HA H 4.7280 0.02 1 159 16 16 VAL HB H 1.7620 0.02 1 160 16 16 VAL HG1 H 0.7320 0.02 2 161 16 16 VAL HG2 H 0.9920 0.02 2 162 16 16 VAL C C 175.5360 0.3 1 163 16 16 VAL CA C 61.3610 0.3 1 164 16 16 VAL CB C 34.3070 0.3 1 165 16 16 VAL CG1 C 21.3300 0.3 2 166 16 16 VAL CG2 C 20.8900 0.3 2 167 16 16 VAL N N 123.2880 0.2 1 168 17 17 ILE H H 8.8070 0.02 1 169 17 17 ILE HA H 5.8160 0.02 1 170 17 17 ILE HB H 1.9280 0.02 1 171 17 17 ILE HG12 H 1.6130 0.02 2 172 17 17 ILE HG13 H 1.6130 0.02 2 173 17 17 ILE HG2 H 0.8180 0.02 1 174 17 17 ILE HD1 H 0.9240 0.02 1 175 17 17 ILE C C 175.3100 0.3 1 176 17 17 ILE CA C 58.2350 0.3 1 177 17 17 ILE CB C 42.0720 0.3 1 178 17 17 ILE CG1 C 26.7060 0.3 1 179 17 17 ILE CG2 C 18.2180 0.3 1 180 17 17 ILE CD1 C 14.5100 0.3 1 181 17 17 ILE N N 119.6490 0.2 1 182 18 18 ASP H H 8.4840 0.02 1 183 18 18 ASP HA H 4.9080 0.02 1 184 18 18 ASP HB2 H 3.4120 0.02 2 185 18 18 ASP HB3 H 2.6530 0.02 2 186 18 18 ASP C C 177.5600 0.3 1 187 18 18 ASP CA C 52.2480 0.3 1 188 18 18 ASP CB C 42.1610 0.3 1 189 18 18 ASP N N 121.8590 0.2 1 190 19 19 LYS H H 8.0680 0.02 1 191 19 19 LYS HA H 3.5120 0.02 1 192 19 19 LYS HB2 H 1.5660 0.02 2 193 19 19 LYS HB3 H 1.5660 0.02 2 194 19 19 LYS HG2 H 1.1870 0.02 2 195 19 19 LYS HG3 H 1.0770 0.02 2 196 19 19 LYS HD2 H 1.4890 0.02 2 197 19 19 LYS HD3 H 1.4890 0.02 2 198 19 19 LYS HE2 H 2.9000 0.02 2 199 19 19 LYS HE3 H 2.9000 0.02 2 200 19 19 LYS C C 176.6760 0.3 1 201 19 19 LYS CA C 57.8090 0.3 1 202 19 19 LYS CB C 32.3800 0.3 1 203 19 19 LYS CG C 24.7270 0.3 1 204 19 19 LYS CD C 29.4900 0.3 1 205 19 19 LYS CE C 42.1840 0.3 1 206 19 19 LYS N N 115.9110 0.2 1 207 20 20 LYS H H 7.9560 0.02 1 208 20 20 LYS HA H 4.3490 0.02 1 209 20 20 LYS HB2 H 2.0170 0.02 2 210 20 20 LYS HB3 H 1.8610 0.02 2 211 20 20 LYS HG2 H 1.2940 0.02 2 212 20 20 LYS HG3 H 1.4050 0.02 2 213 20 20 LYS HD2 H 1.6380 0.02 2 214 20 20 LYS HD3 H 1.6380 0.02 2 215 20 20 LYS HE2 H 2.9840 0.02 2 216 20 20 LYS HE3 H 2.9840 0.02 2 217 20 20 LYS C C 175.3290 0.3 1 218 20 20 LYS CA C 55.0140 0.3 1 219 20 20 LYS CB C 31.1140 0.3 1 220 20 20 LYS CG C 25.0600 0.3 1 221 20 20 LYS CD C 29.0000 0.3 1 222 20 20 LYS CE C 42.2900 0.3 1 223 20 20 LYS N N 119.5960 0.2 1 224 21 21 GLU H H 8.2430 0.02 1 225 21 21 GLU HA H 3.6210 0.02 1 226 21 21 GLU HB2 H 2.5160 0.02 2 227 21 21 GLU HB3 H 2.3790 0.02 2 228 21 21 GLU HG2 H 2.1460 0.02 2 229 21 21 GLU HG3 H 2.1460 0.02 2 230 21 21 GLU C C 173.1060 0.3 1 231 21 21 GLU CA C 57.9580 0.3 1 232 21 21 GLU CB C 27.5670 0.3 1 233 21 21 GLU CG C 37.3520 0.3 1 234 21 21 GLU N N 113.5190 0.2 1 235 22 22 LYS H H 8.5070 0.02 1 236 22 22 LYS HA H 4.3370 0.02 1 237 22 22 LYS HB2 H 1.7260 0.02 2 238 22 22 LYS HB3 H 1.5970 0.02 2 239 22 22 LYS HG2 H 1.4120 0.02 2 240 22 22 LYS HG3 H 1.4120 0.02 2 241 22 22 LYS HD2 H 1.6440 0.02 2 242 22 22 LYS HD3 H 1.6440 0.02 2 243 22 22 LYS HE2 H 2.9850 0.02 2 244 22 22 LYS HE3 H 2.9850 0.02 2 245 22 22 LYS C C 176.3610 0.3 1 246 22 22 LYS CA C 56.0000 0.3 1 247 22 22 LYS CB C 32.8690 0.3 1 248 22 22 LYS CG C 25.2500 0.3 1 249 22 22 LYS CD C 29.0700 0.3 1 250 22 22 LYS CE C 42.2200 0.3 1 251 22 22 LYS N N 120.7820 0.2 1 252 23 23 VAL H H 8.7190 0.02 1 253 23 23 VAL HA H 4.1830 0.02 1 254 23 23 VAL HB H 2.5430 0.02 1 255 23 23 VAL HG1 H 0.8170 0.02 2 256 23 23 VAL HG2 H 0.8840 0.02 2 257 23 23 VAL C C 175.9880 0.3 1 258 23 23 VAL CA C 63.4540 0.3 1 259 23 23 VAL CB C 30.8320 0.3 1 260 23 23 VAL CG1 C 23.1000 0.3 2 261 23 23 VAL CG2 C 22.4000 0.3 2 262 23 23 VAL N N 123.7010 0.2 1 263 24 24 ILE H H 9.1410 0.02 1 264 24 24 ILE HA H 4.4920 0.02 1 265 24 24 ILE HB H 1.9090 0.02 1 266 24 24 ILE HG12 H 1.2230 0.02 2 267 24 24 ILE HG13 H 1.0320 0.02 2 268 24 24 ILE HG2 H 0.9190 0.02 1 269 24 24 ILE HD1 H 0.8000 0.02 1 270 24 24 ILE C C 175.4980 0.3 1 271 24 24 ILE CA C 60.8870 0.3 1 272 24 24 ILE CB C 38.8110 0.3 1 273 24 24 ILE CG1 C 26.8700 0.3 1 274 24 24 ILE CG2 C 18.4150 0.3 1 275 24 24 ILE CD1 C 13.6500 0.3 1 276 24 24 ILE N N 126.1490 0.2 1 277 25 25 ASP H H 7.8380 0.02 1 278 25 25 ASP HA H 4.7280 0.02 1 279 25 25 ASP HB2 H 2.6380 0.02 2 280 25 25 ASP HB3 H 2.3340 0.02 2 281 25 25 ASP C C 172.6740 0.3 1 282 25 25 ASP CA C 53.6820 0.3 1 283 25 25 ASP CB C 43.9660 0.3 1 284 25 25 ASP N N 117.9270 0.2 1 285 26 26 ALA H H 8.4420 0.02 1 286 26 26 ALA HA H 5.2880 0.02 1 287 26 26 ALA HB H 1.1500 0.02 1 288 26 26 ALA C C 174.5700 0.3 1 289 26 26 ALA CA C 51.0430 0.3 1 290 26 26 ALA CB C 22.7320 0.3 1 291 26 26 ALA N N 123.4790 0.2 1 292 27 27 LYS H H 9.6540 0.02 1 293 27 27 LYS HA H 4.9380 0.02 1 294 27 27 LYS HB2 H 1.6890 0.02 2 295 27 27 LYS HB3 H 1.7190 0.02 2 296 27 27 LYS HG2 H 1.3090 0.02 2 297 27 27 LYS HG3 H 1.3090 0.02 2 298 27 27 LYS HD2 H 1.6210 0.02 2 299 27 27 LYS HD3 H 1.6210 0.02 2 300 27 27 LYS HE2 H 2.9070 0.02 2 301 27 27 LYS HE3 H 2.9070 0.02 2 302 27 27 LYS C C 172.9940 0.3 1 303 27 27 LYS CA C 52.5320 0.3 1 304 27 27 LYS CB C 35.2480 0.3 1 305 27 27 LYS CG C 24.2080 0.3 1 306 27 27 LYS CD C 29.1770 0.3 1 307 27 27 LYS CE C 42.1400 0.3 1 308 27 27 LYS N N 122.6820 0.2 1 309 28 28 PRO HA H 4.5440 0.02 1 310 28 28 PRO HB2 H 2.3730 0.02 2 311 28 28 PRO HB3 H 1.7220 0.02 2 312 28 28 PRO HG2 H 2.4710 0.02 2 313 28 28 PRO HG3 H 2.1900 0.02 2 314 28 28 PRO HD2 H 3.8720 0.02 2 315 28 28 PRO HD3 H 3.7720 0.02 2 316 28 28 PRO C C 175.6450 0.3 1 317 28 28 PRO CA C 61.7240 0.3 1 318 28 28 PRO CB C 31.1360 0.3 1 319 28 28 PRO CG C 27.0300 0.3 1 320 28 28 PRO CD C 50.1400 0.3 1 321 29 29 LEU H H 8.8600 0.02 1 322 29 29 LEU HA H 4.3030 0.02 1 323 29 29 LEU HB2 H 1.3710 0.02 2 324 29 29 LEU HB3 H 1.3980 0.02 2 325 29 29 LEU HG H 1.3800 0.02 1 326 29 29 LEU HD1 H 0.6150 0.02 2 327 29 29 LEU HD2 H 0.6520 0.02 2 328 29 29 LEU C C 176.1040 0.3 1 329 29 29 LEU CA C 55.1510 0.3 1 330 29 29 LEU CB C 40.1010 0.3 1 331 29 29 LEU CG C 27.7000 0.3 1 332 29 29 LEU CD1 C 24.1500 0.3 2 333 29 29 LEU CD2 C 21.9500 0.3 2 334 29 29 LEU N N 125.2120 0.2 1 335 30 30 ASN H H 7.7770 0.02 1 336 30 30 ASN HA H 4.7130 0.02 1 337 30 30 ASN HB2 H 3.2910 0.02 2 338 30 30 ASN HB3 H 3.1130 0.02 2 339 30 30 ASN HD21 H 7.6020 0.02 2 340 30 30 ASN HD22 H 6.8830 0.02 2 341 30 30 ASN C C 175.1490 0.3 1 342 30 30 ASN CA C 50.8300 0.3 1 343 30 30 ASN CB C 39.8980 0.3 1 344 30 30 ASN N N 114.2360 0.2 1 345 30 30 ASN ND2 N 113.2300 0.2 1 346 31 31 ASN H H 8.8440 0.02 1 347 31 31 ASN HA H 4.4770 0.02 1 348 31 31 ASN HB2 H 2.8840 0.02 2 349 31 31 ASN HB3 H 2.8450 0.02 2 350 31 31 ASN HD21 H 7.7600 0.02 2 351 31 31 ASN HD22 H 7.0170 0.02 2 352 31 31 ASN C C 178.3070 0.3 1 353 31 31 ASN CA C 56.3870 0.3 1 354 31 31 ASN CB C 38.0780 0.3 1 355 31 31 ASN N N 118.3500 0.2 1 356 31 31 ASN ND2 N 113.2900 0.2 1 357 32 32 ASP H H 8.5050 0.02 1 358 32 32 ASP HA H 4.4710 0.02 1 359 32 32 ASP HB2 H 2.5420 0.02 2 360 32 32 ASP HB3 H 2.5400 0.02 2 361 32 32 ASP C C 176.7020 0.3 1 362 32 32 ASP CA C 55.9940 0.3 1 363 32 32 ASP CB C 39.9190 0.3 1 364 32 32 ASP N N 118.3700 0.2 1 365 33 33 ALA H H 7.4920 0.02 1 366 33 33 ALA HA H 4.0140 0.02 1 367 33 33 ALA HB H 1.5460 0.02 1 368 33 33 ALA C C 177.9170 0.3 1 369 33 33 ALA CA C 53.4920 0.3 1 370 33 33 ALA CB C 21.1210 0.3 1 371 33 33 ALA N N 117.1330 0.2 1 372 34 34 LYS H H 7.8250 0.02 1 373 34 34 LYS HA H 4.0730 0.02 1 374 34 34 LYS HB2 H 2.1870 0.02 2 375 34 34 LYS HB3 H 2.0180 0.02 2 376 34 34 LYS HG2 H 1.6340 0.02 2 377 34 34 LYS HG3 H 1.4970 0.02 2 378 34 34 LYS HD2 H 1.8430 0.02 2 379 34 34 LYS HD3 H 1.7630 0.02 2 380 34 34 LYS HE2 H 3.0590 0.02 2 381 34 34 LYS HE3 H 3.0590 0.02 2 382 34 34 LYS C C 174.3050 0.3 1 383 34 34 LYS CA C 62.3920 0.3 1 384 34 34 LYS CB C 29.7710 0.3 1 385 34 34 LYS CG C 26.0900 0.3 1 386 34 34 LYS CD C 29.6480 0.3 1 387 34 34 LYS CE C 42.4600 0.3 1 388 34 34 LYS N N 119.0590 0.2 1 389 35 35 PRO HA H 4.5110 0.02 1 390 35 35 PRO HB2 H 2.4620 0.02 2 391 35 35 PRO HB3 H 1.8880 0.02 2 392 35 35 PRO HG2 H 2.1460 0.02 2 393 35 35 PRO HG3 H 2.1000 0.02 2 394 35 35 PRO HD2 H 3.8340 0.02 2 395 35 35 PRO HD3 H 3.8340 0.02 2 396 35 35 PRO C C 179.7600 0.3 1 397 35 35 PRO CA C 65.6620 0.3 1 398 35 35 PRO CB C 31.1390 0.3 1 399 35 35 PRO CG C 28.5290 0.3 1 400 35 35 PRO CD C 49.9150 0.3 1 401 36 36 ILE H H 6.4930 0.02 1 402 36 36 ILE HA H 3.7730 0.02 1 403 36 36 ILE HB H 1.9510 0.02 1 404 36 36 ILE HG12 H 1.4970 0.02 2 405 36 36 ILE HG13 H 1.3120 0.02 2 406 36 36 ILE HG2 H 0.7750 0.02 1 407 36 36 ILE HD1 H 0.7780 0.02 1 408 36 36 ILE C C 176.7670 0.3 1 409 36 36 ILE CA C 63.2600 0.3 1 410 36 36 ILE CB C 37.3640 0.3 1 411 36 36 ILE CG1 C 28.0540 0.3 1 412 36 36 ILE CG2 C 17.6170 0.3 1 413 36 36 ILE CD1 C 12.2880 0.3 1 414 36 36 ILE N N 115.5240 0.2 1 415 37 37 LEU H H 7.9300 0.02 1 416 37 37 LEU HA H 3.8760 0.02 1 417 37 37 LEU HB2 H 1.8930 0.02 2 418 37 37 LEU HB3 H 1.5890 0.02 2 419 37 37 LEU HG H 1.6340 0.02 1 420 37 37 LEU HD1 H 0.7100 0.02 2 421 37 37 LEU HD2 H 0.7100 0.02 2 422 37 37 LEU C C 179.3290 0.3 1 423 37 37 LEU CA C 57.7770 0.3 1 424 37 37 LEU CB C 41.1910 0.3 1 425 37 37 LEU CG C 26.6900 0.3 1 426 37 37 LEU CD1 C 25.2000 0.3 2 427 37 37 LEU CD2 C 23.4000 0.3 2 428 37 37 LEU N N 119.0240 0.2 1 429 38 38 ASP H H 8.6630 0.02 1 430 38 38 ASP HA H 4.3730 0.02 1 431 38 38 ASP HB2 H 2.7300 0.02 2 432 38 38 ASP HB3 H 2.6900 0.02 2 433 38 38 ASP C C 177.3880 0.3 1 434 38 38 ASP CA C 57.2780 0.3 1 435 38 38 ASP CB C 40.1990 0.3 1 436 38 38 ASP N N 120.7720 0.2 1 437 39 39 GLU H H 7.3010 0.02 1 438 39 39 GLU HA H 4.1360 0.02 1 439 39 39 GLU HB2 H 2.1330 0.02 2 440 39 39 GLU HB3 H 1.9750 0.02 2 441 39 39 GLU HG2 H 2.4130 0.02 2 442 39 39 GLU HG3 H 2.1780 0.02 2 443 39 39 GLU C C 177.1650 0.3 1 444 39 39 GLU CA C 58.3570 0.3 1 445 39 39 GLU CB C 30.2380 0.3 1 446 39 39 GLU CG C 36.3000 0.3 1 447 39 39 GLU N N 117.4560 0.2 1 448 40 40 ALA H H 8.6140 0.02 1 449 40 40 ALA HA H 3.7730 0.02 1 450 40 40 ALA HB H 1.2460 0.02 1 451 40 40 ALA C C 175.5880 0.3 1 452 40 40 ALA CA C 54.5380 0.3 1 453 40 40 ALA CB C 19.7990 0.3 1 454 40 40 ALA N N 119.6930 0.2 1 455 41 41 ALA H H 8.0350 0.02 1 456 41 41 ALA HA H 4.2400 0.02 1 457 41 41 ALA HB H 1.3120 0.02 1 458 41 41 ALA C C 174.1590 0.3 1 459 41 41 ALA CA C 52.2110 0.3 1 460 41 41 ALA CB C 18.1220 0.3 1 461 41 41 ALA N N 114.7800 0.2 1 462 42 42 PRO HA H 4.6040 0.02 1 463 42 42 PRO HB2 H 1.9080 0.02 2 464 42 42 PRO HB3 H 1.8510 0.02 2 465 42 42 PRO HG2 H 1.6270 0.02 2 466 42 42 PRO HG3 H 1.5450 0.02 2 467 42 42 PRO HD2 H 3.6110 0.02 2 468 42 42 PRO HD3 H 3.7570 0.02 2 469 42 42 PRO C C 175.3730 0.3 1 470 42 42 PRO CA C 63.8490 0.3 1 471 42 42 PRO CB C 33.3240 0.3 1 472 42 42 PRO CG C 26.8800 0.3 1 473 42 42 PRO CD C 49.3300 0.3 1 474 43 43 LYS H H 7.8700 0.02 1 475 43 43 LYS HA H 3.5420 0.02 1 476 43 43 LYS HB2 H 1.7190 0.02 2 477 43 43 LYS HB3 H 1.6530 0.02 2 478 43 43 LYS HG2 H 1.3450 0.02 2 479 43 43 LYS HG3 H 1.2510 0.02 2 480 43 43 LYS HD2 H 1.7710 0.02 2 481 43 43 LYS HD3 H 1.7710 0.02 2 482 43 43 LYS HE2 H 3.0940 0.02 2 483 43 43 LYS HE3 H 3.0940 0.02 2 484 43 43 LYS C C 176.2540 0.3 1 485 43 43 LYS CA C 59.6170 0.3 1 486 43 43 LYS CB C 32.0280 0.3 1 487 43 43 LYS CG C 25.9800 0.3 1 488 43 43 LYS CD C 29.6900 0.3 1 489 43 43 LYS CE C 42.2900 0.3 1 490 43 43 LYS N N 119.2840 0.2 1 491 44 44 ASP H H 9.1190 0.02 1 492 44 44 ASP HA H 4.1770 0.02 1 493 44 44 ASP HB2 H 3.0880 0.02 2 494 44 44 ASP HB3 H 2.9360 0.02 2 495 44 44 ASP C C 174.6490 0.3 1 496 44 44 ASP CA C 57.0750 0.3 1 497 44 44 ASP CB C 39.2660 0.3 1 498 44 44 ASP N N 117.4980 0.2 1 499 45 45 MET H H 8.0250 0.02 1 500 45 45 MET HA H 4.8640 0.02 1 501 45 45 MET HB2 H 2.1970 0.02 2 502 45 45 MET HB3 H 2.0260 0.02 2 503 45 45 MET HG2 H 2.5650 0.02 2 504 45 45 MET HG3 H 2.5650 0.02 2 505 45 45 MET HE H 2.1100 0.02 1 506 45 45 MET C C 173.1900 0.3 1 507 45 45 MET CA C 54.5080 0.3 1 508 45 45 MET CB C 33.6370 0.3 1 509 45 45 MET CG C 32.4700 0.3 1 510 45 45 MET CE C 17.3220 0.3 1 511 45 45 MET N N 118.6790 0.2 1 512 46 46 PRO HA H 4.7260 0.02 1 513 46 46 PRO HB2 H 2.6400 0.02 2 514 46 46 PRO HB3 H 2.0720 0.02 2 515 46 46 PRO HG2 H 2.0060 0.02 2 516 46 46 PRO HG3 H 2.2610 0.02 2 517 46 46 PRO HD2 H 4.0670 0.02 2 518 46 46 PRO HD3 H 3.6730 0.02 2 519 46 46 PRO C C 177.1130 0.3 1 520 46 46 PRO CA C 62.9040 0.3 1 521 46 46 PRO CB C 32.5710 0.3 1 522 46 46 PRO CG C 28.7580 0.3 1 523 46 46 PRO CD C 51.1090 0.3 1 524 47 47 LEU H H 9.0660 0.02 1 525 47 47 LEU HA H 3.8700 0.02 1 526 47 47 LEU HB2 H 2.0680 0.02 2 527 47 47 LEU HB3 H 1.6950 0.02 2 528 47 47 LEU HG H 1.3720 0.02 1 529 47 47 LEU HD1 H 0.8810 0.02 2 530 47 47 LEU HD2 H 0.7690 0.02 2 531 47 47 LEU C C 176.8040 0.3 1 532 47 47 LEU CA C 59.0420 0.3 1 533 47 47 LEU CB C 42.1930 0.3 1 534 47 47 LEU CG C 26.8300 0.3 1 535 47 47 LEU CD1 C 25.5300 0.3 2 536 47 47 LEU CD2 C 23.2800 0.3 2 537 47 47 LEU N N 124.6030 0.2 1 538 48 48 TYR H H 9.3630 0.02 1 539 48 48 TYR HA H 3.5740 0.02 1 540 48 48 TYR HB2 H 3.1210 0.02 2 541 48 48 TYR HB3 H 2.8660 0.02 2 542 48 48 TYR HD1 H 7.0640 0.02 3 543 48 48 TYR HD2 H 7.0640 0.02 3 544 48 48 TYR HE1 H 6.6390 0.02 3 545 48 48 TYR HE2 H 6.6390 0.02 3 546 48 48 TYR C C 177.0840 0.3 1 547 48 48 TYR CA C 62.0080 0.3 1 548 48 48 TYR CB C 38.5640 0.3 1 549 48 48 TYR CD1 C 133.7450 0.3 3 550 48 48 TYR CD2 C 133.7450 0.3 3 551 48 48 TYR CE1 C 117.9000 0.3 3 552 48 48 TYR CE2 C 117.9000 0.3 3 553 48 48 TYR N N 117.4810 0.2 1 554 49 49 ASP H H 7.4260 0.02 1 555 49 49 ASP HA H 4.2670 0.02 1 556 49 49 ASP HB2 H 2.7660 0.02 2 557 49 49 ASP HB3 H 2.6810 0.02 2 558 49 49 ASP C C 178.0420 0.3 1 559 49 49 ASP CA C 57.0030 0.3 1 560 49 49 ASP CB C 40.9080 0.3 1 561 49 49 ASP N N 119.7490 0.2 1 562 50 50 ALA H H 9.0260 0.02 1 563 50 50 ALA HA H 4.1510 0.02 1 564 50 50 ALA HB H 1.4470 0.02 1 565 50 50 ALA C C 179.5110 0.3 1 566 50 50 ALA CA C 54.9680 0.3 1 567 50 50 ALA CB C 19.9140 0.3 1 568 50 50 ALA N N 122.6610 0.2 1 569 51 51 LEU H H 8.6040 0.02 1 570 51 51 LEU HA H 3.9460 0.02 1 571 51 51 LEU HB2 H 1.8240 0.02 2 572 51 51 LEU HB3 H 1.2540 0.02 2 573 51 51 LEU HG H 1.6500 0.02 1 574 51 51 LEU HD1 H 0.8000 0.02 2 575 51 51 LEU HD2 H 0.7230 0.02 2 576 51 51 LEU C C 178.0920 0.3 1 577 51 51 LEU CA C 57.1850 0.3 1 578 51 51 LEU CB C 42.7720 0.3 1 579 51 51 LEU CG C 26.9900 0.3 1 580 51 51 LEU CD1 C 24.2760 0.3 2 581 51 51 LEU CD2 C 26.9900 0.3 2 582 51 51 LEU N N 115.7150 0.2 1 583 52 52 SER H H 8.2840 0.02 1 584 52 52 SER HA H 3.8060 0.02 1 585 52 52 SER HB2 H 3.8060 0.02 2 586 52 52 SER HB3 H 3.8060 0.02 2 587 52 52 SER C C 176.0480 0.3 1 588 52 52 SER CA C 62.6600 0.3 1 589 52 52 SER CB C 62.4400 0.3 1 590 52 52 SER N N 116.1580 0.2 1 591 53 53 LYS H H 7.9180 0.02 1 592 53 53 LYS HA H 4.2330 0.02 1 593 53 53 LYS HB2 H 1.9420 0.02 2 594 53 53 LYS HB3 H 1.9420 0.02 2 595 53 53 LYS HG2 H 1.5130 0.02 2 596 53 53 LYS HG3 H 1.5130 0.02 2 597 53 53 LYS HD2 H 1.6730 0.02 2 598 53 53 LYS HD3 H 1.6730 0.02 2 599 53 53 LYS HE2 H 3.0580 0.02 2 600 53 53 LYS HE3 H 3.0580 0.02 2 601 53 53 LYS C C 178.0710 0.3 1 602 53 53 LYS CA C 59.1830 0.3 1 603 53 53 LYS CB C 32.4020 0.3 1 604 53 53 LYS CG C 25.0700 0.3 1 605 53 53 LYS CD C 29.2100 0.3 1 606 53 53 LYS CE C 41.9900 0.3 1 607 53 53 LYS N N 121.9400 0.2 1 608 54 54 ILE H H 8.2110 0.02 1 609 54 54 ILE HA H 3.3250 0.02 1 610 54 54 ILE HB H 1.9320 0.02 1 611 54 54 ILE HG12 H 1.8980 0.02 2 612 54 54 ILE HG13 H 0.5890 0.02 2 613 54 54 ILE HG2 H 0.6270 0.02 1 614 54 54 ILE HD1 H 0.7150 0.02 1 615 54 54 ILE C C 178.6890 0.3 1 616 54 54 ILE CA C 66.2390 0.3 1 617 54 54 ILE CB C 38.1310 0.3 1 618 54 54 ILE CG1 C 30.9200 0.3 1 619 54 54 ILE CG2 C 16.7500 0.3 1 620 54 54 ILE CD1 C 13.8500 0.3 1 621 54 54 ILE N N 118.7000 0.2 1 622 55 55 LEU H H 8.7560 0.02 1 623 55 55 LEU HA H 3.9370 0.02 1 624 55 55 LEU HB2 H 2.0630 0.02 2 625 55 55 LEU HB3 H 1.2200 0.02 2 626 55 55 LEU HG H 1.8830 0.02 1 627 55 55 LEU HD1 H 0.7450 0.02 2 628 55 55 LEU HD2 H 0.7510 0.02 2 629 55 55 LEU C C 177.5430 0.3 1 630 55 55 LEU CA C 58.7010 0.3 1 631 55 55 LEU CB C 40.3300 0.3 1 632 55 55 LEU CG C 27.3700 0.3 1 633 55 55 LEU CD1 C 26.0000 0.3 2 634 55 55 LEU CD2 C 23.4800 0.3 2 635 55 55 LEU N N 122.0850 0.2 1 636 56 56 ASP H H 8.2340 0.02 1 637 56 56 ASP HA H 4.4540 0.02 1 638 56 56 ASP HB2 H 2.9120 0.02 2 639 56 56 ASP HB3 H 2.8240 0.02 2 640 56 56 ASP C C 178.8350 0.3 1 641 56 56 ASP CA C 58.5200 0.3 1 642 56 56 ASP CB C 41.7630 0.3 1 643 56 56 ASP N N 121.7300 0.2 1 644 57 57 ILE H H 8.6310 0.02 1 645 57 57 ILE HA H 3.7280 0.02 1 646 57 57 ILE HB H 1.8810 0.02 1 647 57 57 ILE HG12 H 1.6480 0.02 2 648 57 57 ILE HG13 H 1.3900 0.02 2 649 57 57 ILE HG2 H 1.0060 0.02 1 650 57 57 ILE HD1 H 0.8070 0.02 1 651 57 57 ILE C C 178.4710 0.3 1 652 57 57 ILE CA C 63.9820 0.3 1 653 57 57 ILE CB C 37.5580 0.3 1 654 57 57 ILE CG1 C 28.9800 0.3 1 655 57 57 ILE CG2 C 19.2200 0.3 1 656 57 57 ILE CD1 C 13.5100 0.3 1 657 57 57 ILE N N 119.6960 0.2 1 658 58 58 SER H H 8.2800 0.02 1 659 58 58 SER HA H 4.2910 0.02 1 660 58 58 SER HB2 H 3.6800 0.02 2 661 58 58 SER HB3 H 3.6800 0.02 2 662 58 58 SER C C 175.6130 0.3 1 663 58 58 SER CA C 64.3500 0.3 1 664 58 58 SER CB C 62.5650 0.3 1 665 58 58 SER N N 117.4710 0.2 1 666 59 59 LYS H H 8.2920 0.02 1 667 59 59 LYS HA H 4.4150 0.02 1 668 59 59 LYS HB2 H 2.0730 0.02 2 669 59 59 LYS HB3 H 2.0730 0.02 2 670 59 59 LYS HG2 H 1.6270 0.02 2 671 59 59 LYS HG3 H 1.6270 0.02 2 672 59 59 LYS HD2 H 1.7470 0.02 2 673 59 59 LYS HD3 H 1.7470 0.02 2 674 59 59 LYS HE2 H 2.9930 0.02 2 675 59 59 LYS HE3 H 2.9930 0.02 2 676 59 59 LYS C C 179.5380 0.3 1 677 59 59 LYS CA C 59.7560 0.3 1 678 59 59 LYS CB C 32.9150 0.3 1 679 59 59 LYS CG C 25.8070 0.3 1 680 59 59 LYS CD C 30.1000 0.3 1 681 59 59 LYS CE C 42.2200 0.3 1 682 59 59 LYS N N 123.5100 0.2 1 683 60 60 LYS H H 8.2900 0.02 1 684 60 60 LYS HA H 4.0590 0.02 1 685 60 60 LYS HB2 H 1.9830 0.02 2 686 60 60 LYS HB3 H 1.9830 0.02 2 687 60 60 LYS HG2 H 1.4910 0.02 2 688 60 60 LYS HG3 H 1.4910 0.02 2 689 60 60 LYS HD2 H 1.6930 0.02 2 690 60 60 LYS HD3 H 1.6930 0.02 2 691 60 60 LYS HE2 H 3.0000 0.02 2 692 60 60 LYS HE3 H 3.0000 0.02 2 693 60 60 LYS C C 177.7470 0.3 1 694 60 60 LYS CA C 59.5700 0.3 1 695 60 60 LYS CB C 32.0650 0.3 1 696 60 60 LYS CG C 25.1500 0.3 1 697 60 60 LYS CD C 30.0000 0.3 1 698 60 60 LYS CE C 41.8000 0.3 1 699 60 60 LYS N N 122.1800 0.2 1 700 61 61 ASN H H 7.9710 0.02 1 701 61 61 ASN HA H 4.7000 0.02 1 702 61 61 ASN HB2 H 3.0580 0.02 2 703 61 61 ASN HB3 H 2.6360 0.02 2 704 61 61 ASN HD21 H 7.4600 0.02 2 705 61 61 ASN HD22 H 7.0950 0.02 2 706 61 61 ASN C C 174.4560 0.3 1 707 61 61 ASN CA C 53.3250 0.3 1 708 61 61 ASN CB C 38.9850 0.3 1 709 61 61 ASN N N 114.5520 0.2 1 710 61 61 ASN ND2 N 111.6490 0.2 1 711 62 62 GLY H H 7.6860 0.02 1 712 62 62 GLY HA2 H 3.8330 0.02 2 713 62 62 GLY HA3 H 4.0460 0.02 1 714 62 62 GLY C C 174.2330 0.3 1 715 62 62 GLY CA C 46.0420 0.3 1 716 62 62 GLY N N 106.0990 0.2 1 717 63 63 TYR H H 8.0470 0.02 1 718 63 63 TYR HA H 4.5130 0.02 1 719 63 63 TYR HB2 H 3.0080 0.02 2 720 63 63 TYR HB3 H 2.6290 0.02 2 721 63 63 TYR HD1 H 7.1760 0.02 3 722 63 63 TYR HD2 H 7.1760 0.02 3 723 63 63 TYR HE1 H 6.9400 0.02 3 724 63 63 TYR HE2 H 6.9400 0.02 3 725 63 63 TYR C C 174.6530 0.3 1 726 63 63 TYR CA C 60.0760 0.3 1 727 63 63 TYR CB C 39.5090 0.3 1 728 63 63 TYR CD1 C 132.3900 0.3 3 729 63 63 TYR CD2 C 132.3900 0.3 3 730 63 63 TYR CE1 C 118.7200 0.3 3 731 63 63 TYR CE2 C 118.7200 0.3 3 732 63 63 TYR N N 116.9860 0.2 1 733 64 64 ILE H H 7.0600 0.02 1 734 64 64 ILE HA H 4.4110 0.02 1 735 64 64 ILE HB H 1.4620 0.02 1 736 64 64 ILE HG12 H 1.3290 0.02 2 737 64 64 ILE HG13 H 0.9950 0.02 2 738 64 64 ILE HG2 H 0.8930 0.02 1 739 64 64 ILE HD1 H 0.8560 0.02 1 740 64 64 ILE C C 174.2200 0.3 1 741 64 64 ILE CA C 60.2600 0.3 1 742 64 64 ILE CB C 39.5770 0.3 1 743 64 64 ILE CG1 C 27.8840 0.3 1 744 64 64 ILE CG2 C 17.9700 0.3 1 745 64 64 ILE CD1 C 14.2400 0.3 1 746 64 64 ILE N N 115.3530 0.2 1 747 65 65 ASN H H 8.2470 0.02 1 748 65 65 ASN HA H 4.7760 0.02 1 749 65 65 ASN HB2 H 3.0170 0.02 2 750 65 65 ASN HB3 H 2.8160 0.02 2 751 65 65 ASN HD21 H 7.4530 0.02 2 752 65 65 ASN HD22 H 7.1710 0.02 2 753 65 65 ASN C C 174.2340 0.3 1 754 65 65 ASN CA C 52.6740 0.3 1 755 65 65 ASN CB C 39.8070 0.3 1 756 65 65 ASN N N 122.6510 0.2 1 757 65 65 ASN ND2 N 115.2950 0.2 1 758 66 66 SER H H 8.3840 0.02 1 759 66 66 SER HA H 4.2790 0.02 1 760 66 66 SER HB2 H 3.9760 0.02 2 761 66 66 SER HB3 H 3.8910 0.02 2 762 66 66 SER C C 174.2440 0.3 1 763 66 66 SER CA C 60.2220 0.3 1 764 66 66 SER CB C 63.4420 0.3 1 765 66 66 SER N N 113.5200 0.2 1 766 67 67 ALA H H 8.3140 0.02 1 767 67 67 ALA HA H 4.4290 0.02 1 768 67 67 ALA HB H 1.4150 0.02 1 769 67 67 ALA C C 176.9340 0.3 1 770 67 67 ALA CA C 53.1600 0.3 1 771 67 67 ALA CB C 19.2150 0.3 1 772 67 67 ALA N N 123.9450 0.2 1 773 68 68 ASP H H 7.9310 0.02 1 774 68 68 ASP HA H 4.7410 0.02 1 775 68 68 ASP HB2 H 2.8880 0.02 2 776 68 68 ASP HB3 H 2.5180 0.02 2 777 68 68 ASP C C 175.4140 0.3 1 778 68 68 ASP CA C 53.6800 0.3 1 779 68 68 ASP CB C 40.9400 0.3 1 780 68 68 ASP N N 118.8870 0.2 1 781 69 69 ASN H H 8.0150 0.02 1 782 69 69 ASN HA H 4.8350 0.02 1 783 69 69 ASN HB2 H 2.9540 0.02 2 784 69 69 ASN HB3 H 2.8920 0.02 2 785 69 69 ASN HD21 H 7.4360 0.02 2 786 69 69 ASN HD22 H 6.8230 0.02 2 787 69 69 ASN C C 172.9730 0.3 1 788 69 69 ASN CA C 53.1040 0.3 1 789 69 69 ASN CB C 39.0570 0.3 1 790 69 69 ASN N N 120.6080 0.2 1 791 69 69 ASN ND2 N 109.6950 0.2 1 792 70 70 ILE H H 7.6760 0.02 1 793 70 70 ILE HA H 4.4220 0.02 1 794 70 70 ILE HB H 1.4930 0.02 1 795 70 70 ILE HG12 H 1.4300 0.02 2 796 70 70 ILE HG13 H 0.7800 0.02 2 797 70 70 ILE HG2 H 0.6420 0.02 1 798 70 70 ILE HD1 H 0.7560 0.02 1 799 70 70 ILE C C 174.5790 0.3 1 800 70 70 ILE CA C 60.0560 0.3 1 801 70 70 ILE CB C 40.4800 0.3 1 802 70 70 ILE CG1 C 28.2400 0.3 1 803 70 70 ILE CG2 C 16.9800 0.3 1 804 70 70 ILE CD1 C 14.2000 0.3 1 805 70 70 ILE N N 117.9540 0.2 1 806 71 71 VAL H H 8.4890 0.02 1 807 71 71 VAL HA H 4.3520 0.02 1 808 71 71 VAL HB H 1.6990 0.02 1 809 71 71 VAL HG1 H 0.2440 0.02 2 810 71 71 VAL HG2 H 0.7500 0.02 2 811 71 71 VAL C C 172.5760 0.3 1 812 71 71 VAL CA C 60.7080 0.3 1 813 71 71 VAL CB C 33.5300 0.3 1 814 71 71 VAL CG1 C 21.8300 0.3 2 815 71 71 VAL CG2 C 21.8300 0.3 2 816 71 71 VAL N N 126.7000 0.2 1 817 72 72 LEU H H 8.2850 0.02 1 818 72 72 LEU HA H 5.0530 0.02 1 819 72 72 LEU HB2 H 1.9460 0.02 2 820 72 72 LEU HB3 H 1.2300 0.02 2 821 72 72 LEU HG H 1.5870 0.02 1 822 72 72 LEU HD1 H 0.6970 0.02 2 823 72 72 LEU HD2 H 0.8370 0.02 2 824 72 72 LEU C C 174.2380 0.3 1 825 72 72 LEU CA C 52.9590 0.3 1 826 72 72 LEU CB C 45.7130 0.3 1 827 72 72 LEU CG C 26.7700 0.3 1 828 72 72 LEU CD1 C 25.6400 0.3 2 829 72 72 LEU CD2 C 24.0300 0.3 2 830 72 72 LEU N N 126.1300 0.2 1 831 73 73 PHE H H 9.2730 0.02 1 832 73 73 PHE HA H 5.7260 0.02 1 833 73 73 PHE HB2 H 3.0680 0.02 2 834 73 73 PHE HB3 H 2.9250 0.02 2 835 73 73 PHE HD1 H 7.1350 0.02 3 836 73 73 PHE HD2 H 7.1350 0.02 3 837 73 73 PHE HE1 H 6.9780 0.02 3 838 73 73 PHE HE2 H 6.9780 0.02 3 839 73 73 PHE HZ H 6.7820 0.02 1 840 73 73 PHE C C 174.3180 0.3 1 841 73 73 PHE CA C 55.3090 0.3 1 842 73 73 PHE CB C 43.7030 0.3 1 843 73 73 PHE CD1 C 132.1600 0.3 3 844 73 73 PHE CD2 C 132.1600 0.3 3 845 73 73 PHE CE1 C 130.9400 0.3 3 846 73 73 PHE CE2 C 130.9400 0.3 3 847 73 73 PHE CZ C 128.2600 0.3 1 848 73 73 PHE N N 124.0620 0.2 1 849 74 74 SER H H 9.1390 0.02 1 850 74 74 SER HA H 5.2810 0.02 1 851 74 74 SER HB2 H 3.5950 0.02 2 852 74 74 SER HB3 H 3.5950 0.02 2 853 74 74 SER C C 172.5310 0.3 1 854 74 74 SER CA C 56.7320 0.3 1 855 74 74 SER CB C 65.3780 0.3 1 856 74 74 SER N N 114.4110 0.2 1 857 75 75 ALA H H 7.3090 0.02 1 858 75 75 ALA HA H 5.8620 0.02 1 859 75 75 ALA HB H 1.1460 0.02 1 860 75 75 ALA C C 174.0620 0.3 1 861 75 75 ALA CA C 50.2730 0.3 1 862 75 75 ALA CB C 23.2890 0.3 1 863 75 75 ALA N N 123.0180 0.2 1 864 76 76 SER H H 9.0340 0.02 1 865 76 76 SER HA H 4.7580 0.02 1 866 76 76 SER HB2 H 3.6390 0.02 2 867 76 76 SER HB3 H 3.5460 0.02 2 868 76 76 SER C C 172.9790 0.3 1 869 76 76 SER CA C 57.2280 0.3 1 870 76 76 SER CB C 66.6270 0.3 1 871 76 76 SER N N 114.9020 0.2 1 872 77 77 ILE H H 8.6760 0.02 1 873 77 77 ILE HA H 4.4090 0.02 1 874 77 77 ILE HB H 1.7590 0.02 1 875 77 77 ILE HG12 H 1.4130 0.02 2 876 77 77 ILE HG13 H 1.1550 0.02 2 877 77 77 ILE HG2 H 0.7890 0.02 1 878 77 77 ILE HD1 H 0.6780 0.02 1 879 77 77 ILE C C 175.1650 0.3 1 880 77 77 ILE CA C 59.6130 0.3 1 881 77 77 ILE CB C 39.6630 0.3 1 882 77 77 ILE CG1 C 28.0400 0.3 1 883 77 77 ILE CG2 C 17.3200 0.3 1 884 77 77 ILE CD1 C 12.6900 0.3 1 885 77 77 ILE N N 124.1580 0.2 1 886 78 78 ASN H H 8.5780 0.02 1 887 78 78 ASN HA H 4.9190 0.02 1 888 78 78 ASN HB2 H 2.9930 0.02 2 889 78 78 ASN HB3 H 2.5920 0.02 2 890 78 78 ASN HD21 H 7.6960 0.02 2 891 78 78 ASN HD22 H 6.9480 0.02 2 892 78 78 ASN C C 174.4960 0.3 1 893 78 78 ASN CA C 52.8660 0.3 1 894 78 78 ASN CB C 38.4530 0.3 1 895 78 78 ASN N N 125.2230 0.2 1 896 78 78 ASN ND2 N 112.1300 0.2 1 897 79 79 SER H H 8.4740 0.02 1 898 79 79 SER HA H 4.4950 0.02 1 899 79 79 SER HB2 H 4.0450 0.02 2 900 79 79 SER HB3 H 3.8820 0.02 2 901 79 79 SER C C 174.8070 0.3 1 902 79 79 SER CA C 58.8100 0.3 1 903 79 79 SER CB C 64.0530 0.3 1 904 79 79 SER N N 118.9150 0.2 1 905 80 80 GLY H H 8.5880 0.02 1 906 80 80 GLY HA2 H 4.0370 0.02 2 907 80 80 GLY HA3 H 4.0370 0.02 1 908 80 80 GLY C C 174.0780 0.3 1 909 80 80 GLY CA C 45.6270 0.3 1 910 80 80 GLY N N 110.9050 0.2 1 911 81 81 ARG H H 8.2730 0.02 1 912 81 81 ARG HA H 4.3730 0.02 1 913 81 81 ARG HB2 H 1.9370 0.02 2 914 81 81 ARG HB3 H 1.8060 0.02 2 915 81 81 ARG HG2 H 1.6610 0.02 2 916 81 81 ARG HG3 H 1.6610 0.02 2 917 81 81 ARG HD2 H 3.2520 0.02 2 918 81 81 ARG HD3 H 3.2520 0.02 2 919 81 81 ARG HE H 7.3310 0.02 1 920 81 81 ARG C C 175.7950 0.3 1 921 81 81 ARG CA C 56.3030 0.3 1 922 81 81 ARG CB C 30.5290 0.3 1 923 81 81 ARG CG C 26.9300 0.3 1 924 81 81 ARG CD C 43.4000 0.3 1 925 81 81 ARG N N 120.2230 0.2 1 926 81 81 ARG NE N 84.6700 0.2 1 927 82 82 ASN H H 8.4860 0.02 1 928 82 82 ASN HA H 4.7230 0.02 1 929 82 82 ASN HB2 H 2.8840 0.02 2 930 82 82 ASN HB3 H 2.8290 0.02 2 931 82 82 ASN HD21 H 7.6720 0.02 2 932 82 82 ASN HD22 H 6.9660 0.02 2 933 82 82 ASN C C 174.3200 0.3 1 934 82 82 ASN CA C 53.5150 0.3 1 935 82 82 ASN CB C 38.7840 0.3 1 936 82 82 ASN N N 118.1900 0.2 1 937 82 82 ASN ND2 N 113.2080 0.2 1 938 83 83 ASN H H 8.3340 0.02 1 939 83 83 ASN HA H 4.7710 0.02 1 940 83 83 ASN HB2 H 2.8910 0.02 2 941 83 83 ASN HB3 H 2.7920 0.02 2 942 83 83 ASN HD21 H 7.6570 0.02 2 943 83 83 ASN HD22 H 6.9600 0.02 2 944 83 83 ASN C C 174.8430 0.3 1 945 83 83 ASN CA C 53.2550 0.3 1 946 83 83 ASN CB C 38.6460 0.3 1 947 83 83 ASN N N 118.3700 0.2 1 948 83 83 ASN ND2 N 112.9910 0.2 1 949 84 84 VAL H H 8.2160 0.02 1 950 84 84 VAL HA H 4.1470 0.02 1 951 84 84 VAL HB H 2.1750 0.02 1 952 84 84 VAL HG1 H 0.9940 0.02 2 953 84 84 VAL HG2 H 0.9940 0.02 2 954 84 84 VAL C C 176.0350 0.3 1 955 84 84 VAL CA C 63.3080 0.3 1 956 84 84 VAL CB C 32.4610 0.3 1 957 84 84 VAL CG1 C 21.0300 0.3 2 958 84 84 VAL CG2 C 21.0300 0.3 2 959 84 84 VAL N N 120.6080 0.2 1 960 85 85 SER H H 8.4740 0.02 1 961 85 85 SER HA H 4.4960 0.02 1 962 85 85 SER HB2 H 3.9700 0.02 2 963 85 85 SER HB3 H 3.9190 0.02 2 964 85 85 SER C C 174.9680 0.3 1 965 85 85 SER CA C 58.9570 0.3 1 966 85 85 SER CB C 63.8510 0.3 1 967 85 85 SER N N 118.4280 0.2 1 968 86 86 GLU H H 8.4570 0.02 1 969 86 86 GLU HA H 4.3000 0.02 1 970 86 86 GLU HB2 H 2.1320 0.02 2 971 86 86 GLU HB3 H 2.0500 0.02 2 972 86 86 GLU HG2 H 2.3330 0.02 2 973 86 86 GLU HG3 H 2.3330 0.02 2 974 86 86 GLU C C 176.7780 0.3 1 975 86 86 GLU CA C 57.6540 0.3 1 976 86 86 GLU CB C 29.8280 0.3 1 977 86 86 GLU CG C 36.5800 0.3 1 978 86 86 GLU N N 122.3420 0.2 1 979 87 87 SER H H 8.2100 0.02 1 980 87 87 SER HA H 4.4090 0.02 1 981 87 87 SER HB2 H 3.9120 0.02 2 982 87 87 SER HB3 H 3.9690 0.02 2 983 87 87 SER C C 174.3480 0.3 1 984 87 87 SER CA C 59.3180 0.3 1 985 87 87 SER CB C 63.4690 0.3 1 986 87 87 SER N N 115.2280 0.2 1 987 88 88 ASP H H 8.2440 0.02 1 988 88 88 ASP HA H 4.5790 0.02 1 989 88 88 ASP HB2 H 2.7770 0.02 2 990 88 88 ASP HB3 H 2.7770 0.02 2 991 88 88 ASP C C 176.5380 0.3 1 992 88 88 ASP CA C 55.3430 0.3 1 993 88 88 ASP CB C 41.0300 0.3 1 994 88 88 ASP N N 122.6480 0.2 1 995 89 89 LYS H H 8.1880 0.02 1 996 89 89 LYS HA H 4.1880 0.02 1 997 89 89 LYS HB2 H 1.8790 0.02 2 998 89 89 LYS HB3 H 1.8790 0.02 2 999 89 89 LYS HG2 H 1.5250 0.02 2 1000 89 89 LYS HG3 H 1.5250 0.02 2 1001 89 89 LYS HD2 H 1.6840 0.02 2 1002 89 89 LYS HD3 H 1.6840 0.02 2 1003 89 89 LYS HE2 H 3.0150 0.02 2 1004 89 89 LYS HE3 H 3.0150 0.02 2 1005 89 89 LYS C C 177.5830 0.3 1 1006 89 89 LYS CA C 57.9180 0.3 1 1007 89 89 LYS CB C 32.5380 0.3 1 1008 89 89 LYS CG C 25.0000 0.3 1 1009 89 89 LYS CD C 29.1300 0.3 1 1010 89 89 LYS CE C 42.1700 0.3 1 1011 89 89 LYS N N 121.3580 0.2 1 1012 90 90 GLY H H 8.5730 0.02 1 1013 90 90 GLY HA2 H 4.0290 0.02 2 1014 90 90 GLY HA3 H 4.0290 0.02 1 1015 90 90 GLY C C 175.8050 0.3 1 1016 90 90 GLY CA C 46.3520 0.3 1 1017 90 90 GLY N N 108.9530 0.2 1 1018 91 91 ILE H H 8.4980 0.02 1 1019 91 91 ILE HA H 4.0600 0.02 1 1020 91 91 ILE HB H 1.9980 0.02 1 1021 91 91 ILE HG12 H 1.4570 0.02 2 1022 91 91 ILE HG13 H 1.4570 0.02 2 1023 91 91 ILE HG2 H 1.0470 0.02 1 1024 91 91 ILE HD1 H 0.8910 0.02 1 1025 91 91 ILE C C 176.4230 0.3 1 1026 91 91 ILE CA C 62.4940 0.3 1 1027 91 91 ILE CB C 38.0070 0.3 1 1028 91 91 ILE CG1 C 29.0500 0.3 1 1029 91 91 ILE CG2 C 17.8300 0.3 1 1030 91 91 ILE CD1 C 12.9500 0.3 1 1031 91 91 ILE N N 121.8340 0.2 1 1032 92 92 GLN H H 8.2200 0.02 1 1033 92 92 GLN HA H 3.9840 0.02 1 1034 92 92 GLN HB2 H 2.1610 0.02 2 1035 92 92 GLN HB3 H 2.1610 0.02 2 1036 92 92 GLN HG2 H 2.5050 0.02 2 1037 92 92 GLN HG3 H 2.5050 0.02 2 1038 92 92 GLN HE21 H 7.5830 0.02 2 1039 92 92 GLN HE22 H 6.8610 0.02 2 1040 92 92 GLN C C 178.3820 0.3 1 1041 92 92 GLN CA C 58.9450 0.3 1 1042 92 92 GLN CB C 27.6590 0.3 1 1043 92 92 GLN CG C 33.9400 0.3 1 1044 92 92 GLN N N 120.5000 0.2 1 1045 92 92 GLN NE2 N 112.5250 0.2 1 1046 93 93 GLU H H 8.0330 0.02 1 1047 93 93 GLU HA H 4.1090 0.02 1 1048 93 93 GLU HB2 H 2.1610 0.02 2 1049 93 93 GLU HB3 H 2.1610 0.02 2 1050 93 93 GLU HG2 H 2.3930 0.02 2 1051 93 93 GLU HG3 H 2.3930 0.02 2 1052 93 93 GLU C C 178.5140 0.3 1 1053 93 93 GLU CA C 59.6290 0.3 1 1054 93 93 GLU CB C 29.0800 0.3 1 1055 93 93 GLU CG C 36.9600 0.3 1 1056 93 93 GLU N N 119.9000 0.2 1 1057 94 94 ILE H H 7.4450 0.02 1 1058 94 94 ILE HA H 3.6300 0.02 1 1059 94 94 ILE HB H 1.9060 0.02 1 1060 94 94 ILE HG12 H 1.0060 0.02 2 1061 94 94 ILE HG13 H 1.6950 0.02 2 1062 94 94 ILE HG2 H 0.6320 0.02 1 1063 94 94 ILE HD1 H 0.7130 0.02 1 1064 94 94 ILE C C 177.1920 0.3 1 1065 94 94 ILE CA C 64.5620 0.3 1 1066 94 94 ILE CB C 37.8870 0.3 1 1067 94 94 ILE CG1 C 29.0800 0.3 1 1068 94 94 ILE CG2 C 17.0700 0.3 1 1069 94 94 ILE CD1 C 13.6100 0.3 1 1070 94 94 ILE N N 119.9800 0.2 1 1071 95 95 ILE H H 8.4260 0.02 1 1072 95 95 ILE HA H 3.3530 0.02 1 1073 95 95 ILE HB H 1.9410 0.02 1 1074 95 95 ILE HG12 H 1.7610 0.02 2 1075 95 95 ILE HG13 H 0.9780 0.02 2 1076 95 95 ILE HG2 H 0.9280 0.02 1 1077 95 95 ILE HD1 H 0.8100 0.02 1 1078 95 95 ILE C C 176.7410 0.3 1 1079 95 95 ILE CA C 66.1540 0.3 1 1080 95 95 ILE CB C 37.2870 0.3 1 1081 95 95 ILE CG1 C 29.9500 0.3 1 1082 95 95 ILE CG2 C 17.0800 0.3 1 1083 95 95 ILE CD1 C 13.4800 0.3 1 1084 95 95 ILE N N 119.3780 0.2 1 1085 96 96 SER H H 7.9420 0.02 1 1086 96 96 SER HA H 4.0200 0.02 1 1087 96 96 SER C C 175.8250 0.3 1 1088 96 96 SER CA C 62.4870 0.3 1 1089 96 96 SER N N 114.6320 0.2 1 1090 97 97 THR H H 7.6490 0.02 1 1091 97 97 THR HA H 4.0310 0.02 1 1092 97 97 THR HB H 4.3440 0.02 1 1093 97 97 THR HG2 H 1.2040 0.02 1 1094 97 97 THR C C 175.6000 0.3 1 1095 97 97 THR CA C 66.8090 0.3 1 1096 97 97 THR CB C 67.9860 0.3 1 1097 97 97 THR CG2 C 22.3900 0.3 1 1098 97 97 THR N N 119.0630 0.2 1 1099 98 98 LEU H H 7.9100 0.02 1 1100 98 98 LEU HA H 3.2400 0.02 1 1101 98 98 LEU HB2 H 1.6590 0.02 2 1102 98 98 LEU HB3 H 0.2140 0.02 2 1103 98 98 LEU HG H 1.7530 0.02 1 1104 98 98 LEU HD1 H 0.4400 0.02 2 1105 98 98 LEU HD2 H 0.0970 0.02 2 1106 98 98 LEU C C 177.1310 0.3 1 1107 98 98 LEU CA C 57.7440 0.3 1 1108 98 98 LEU CB C 39.8060 0.3 1 1109 98 98 LEU CG C 25.1800 0.3 1 1110 98 98 LEU CD1 C 25.1800 0.3 2 1111 98 98 LEU CD2 C 22.2700 0.3 2 1112 98 98 LEU N N 119.7980 0.2 1 1113 99 99 LYS H H 8.0840 0.02 1 1114 99 99 LYS HA H 3.1700 0.02 1 1115 99 99 LYS HB2 H 1.8130 0.02 2 1116 99 99 LYS HB3 H 1.7000 0.02 2 1117 99 99 LYS HG2 H 1.5420 0.02 2 1118 99 99 LYS HG3 H 1.0850 0.02 2 1119 99 99 LYS HD2 H 1.7080 0.02 2 1120 99 99 LYS HD3 H 1.7080 0.02 2 1121 99 99 LYS HE2 H 2.9880 0.02 2 1122 99 99 LYS HE3 H 2.9880 0.02 2 1123 99 99 LYS C C 178.4780 0.3 1 1124 99 99 LYS CA C 59.9190 0.3 1 1125 99 99 LYS CB C 32.2320 0.3 1 1126 99 99 LYS CG C 26.1900 0.3 1 1127 99 99 LYS CD C 30.3400 0.3 1 1128 99 99 LYS CE C 42.2000 0.3 1 1129 99 99 LYS N N 116.6170 0.2 1 1130 100 100 ASP H H 7.8330 0.02 1 1131 100 100 ASP HA H 4.4170 0.02 1 1132 100 100 ASP HB2 H 3.0320 0.02 2 1133 100 100 ASP HB3 H 2.8330 0.02 2 1134 100 100 ASP C C 177.9300 0.3 1 1135 100 100 ASP CA C 57.6200 0.3 1 1136 100 100 ASP CB C 40.0460 0.3 1 1137 100 100 ASP N N 120.5130 0.2 1 1138 101 101 VAL H H 8.3830 0.02 1 1139 101 101 VAL HA H 3.4000 0.02 1 1140 101 101 VAL HB H 1.9370 0.02 1 1141 101 101 VAL HG1 H 0.7070 0.02 2 1142 101 101 VAL HG2 H 0.7260 0.02 2 1143 101 101 VAL C C 177.6740 0.3 1 1144 101 101 VAL CA C 65.7500 0.3 1 1145 101 101 VAL CB C 31.1990 0.3 1 1146 101 101 VAL CG1 C 21.5900 0.3 2 1147 101 101 VAL CG2 C 24.1600 0.3 2 1148 101 101 VAL N N 119.2560 0.2 1 1149 102 102 ALA H H 7.8280 0.02 1 1150 102 102 ALA HA H 3.7890 0.02 1 1151 102 102 ALA HB H 1.1730 0.02 1 1152 102 102 ALA C C 178.7360 0.3 1 1153 102 102 ALA CA C 55.2170 0.3 1 1154 102 102 ALA CB C 18.6450 0.3 1 1155 102 102 ALA N N 122.1040 0.2 1 1156 103 103 LYS H H 8.2690 0.02 1 1157 103 103 LYS HA H 4.1970 0.02 1 1158 103 103 LYS HB2 H 2.0550 0.02 2 1159 103 103 LYS HB3 H 2.0550 0.02 2 1160 103 103 LYS HG2 H 1.5820 0.02 2 1161 103 103 LYS HG3 H 1.6690 0.02 2 1162 103 103 LYS HD2 H 1.8070 0.02 2 1163 103 103 LYS HD3 H 1.8070 0.02 2 1164 103 103 LYS HE2 H 3.0680 0.02 2 1165 103 103 LYS HE3 H 3.0680 0.02 2 1166 103 103 LYS C C 180.4360 0.3 1 1167 103 103 LYS CA C 59.3190 0.3 1 1168 103 103 LYS CB C 31.9240 0.3 1 1169 103 103 LYS CG C 24.9600 0.3 1 1170 103 103 LYS CD C 29.3600 0.3 1 1171 103 103 LYS CE C 42.0600 0.3 1 1172 103 103 LYS N N 118.2290 0.2 1 1173 104 104 ASP H H 8.4340 0.02 1 1174 104 104 ASP HA H 4.4410 0.02 1 1175 104 104 ASP HB2 H 2.9230 0.02 2 1176 104 104 ASP HB3 H 2.7460 0.02 2 1177 104 104 ASP C C 177.2330 0.3 1 1178 104 104 ASP CA C 57.0370 0.3 1 1179 104 104 ASP CB C 39.6490 0.3 1 1180 104 104 ASP N N 121.1040 0.2 1 1181 105 105 ALA H H 7.9720 0.02 1 1182 105 105 ALA HA H 4.3810 0.02 1 1183 105 105 ALA HB H 1.4790 0.02 1 1184 105 105 ALA C C 177.5060 0.3 1 1185 105 105 ALA CA C 52.2180 0.3 1 1186 105 105 ALA CB C 20.3220 0.3 1 1187 105 105 ALA N N 119.8380 0.2 1 1188 106 106 GLY H H 8.0100 0.02 1 1189 106 106 GLY HA2 H 3.9940 0.02 2 1190 106 106 GLY HA3 H 3.9940 0.02 1 1191 106 106 GLY C C 174.6350 0.3 1 1192 106 106 GLY CA C 46.6090 0.3 1 1193 106 106 GLY N N 108.8120 0.2 1 1194 107 107 VAL H H 7.7080 0.02 1 1195 107 107 VAL HA H 4.8350 0.02 1 1196 107 107 VAL HB H 2.4790 0.02 1 1197 107 107 VAL HG1 H 0.9240 0.02 2 1198 107 107 VAL HG2 H 0.9120 0.02 2 1199 107 107 VAL C C 175.3870 0.3 1 1200 107 107 VAL CA C 58.9470 0.3 1 1201 107 107 VAL CB C 33.5130 0.3 1 1202 107 107 VAL CG1 C 19.1500 0.3 2 1203 107 107 VAL CG2 C 21.9200 0.3 2 1204 107 107 VAL N N 111.7860 0.2 1 1205 108 108 LYS H H 8.1540 0.02 1 1206 108 108 LYS HA H 4.4820 0.02 1 1207 108 108 LYS HB2 H 1.7450 0.02 2 1208 108 108 LYS HB3 H 1.7450 0.02 2 1209 108 108 LYS HG2 H 1.5860 0.02 2 1210 108 108 LYS HG3 H 1.4110 0.02 2 1211 108 108 LYS HD2 H 1.6490 0.02 2 1212 108 108 LYS HD3 H 1.6490 0.02 2 1213 108 108 LYS HE2 H 2.9720 0.02 2 1214 108 108 LYS HE3 H 2.9720 0.02 2 1215 108 108 LYS C C 175.3710 0.3 1 1216 108 108 LYS CA C 56.1310 0.3 1 1217 108 108 LYS CB C 33.3380 0.3 1 1218 108 108 LYS CG C 25.6100 0.3 1 1219 108 108 LYS CD C 29.0600 0.3 1 1220 108 108 LYS CE C 42.2700 0.3 1 1221 108 108 LYS N N 122.2430 0.2 1 1222 109 109 PHE H H 7.9820 0.02 1 1223 109 109 PHE HA H 6.0140 0.02 1 1224 109 109 PHE HB2 H 2.9340 0.02 2 1225 109 109 PHE HB3 H 2.9340 0.02 2 1226 109 109 PHE HD1 H 7.1150 0.02 3 1227 109 109 PHE HD2 H 7.1150 0.02 3 1228 109 109 PHE HE1 H 7.3570 0.02 3 1229 109 109 PHE HE2 H 7.3570 0.02 3 1230 109 109 PHE HZ H 7.3540 0.02 1 1231 109 109 PHE C C 173.3570 0.3 1 1232 109 109 PHE CA C 55.6350 0.3 1 1233 109 109 PHE CB C 42.3360 0.3 1 1234 109 109 PHE CD1 C 132.6100 0.3 3 1235 109 109 PHE CD2 C 132.6100 0.3 3 1236 109 109 PHE CE1 C 131.1300 0.3 3 1237 109 109 PHE CE2 C 131.1300 0.3 3 1238 109 109 PHE CZ C 129.9300 0.3 1 1239 109 109 PHE N N 115.1770 0.2 1 1240 110 110 GLU H H 8.2470 0.02 1 1241 110 110 GLU HA H 4.6530 0.02 1 1242 110 110 GLU HB2 H 1.8640 0.02 2 1243 110 110 GLU HB3 H 1.7500 0.02 2 1244 110 110 GLU HG2 H 2.1070 0.02 2 1245 110 110 GLU HG3 H 2.1070 0.02 2 1246 110 110 GLU C C 174.2360 0.3 1 1247 110 110 GLU CA C 55.0150 0.3 1 1248 110 110 GLU CB C 32.9840 0.3 1 1249 110 110 GLU CG C 35.3300 0.3 1 1250 110 110 GLU N N 120.5020 0.2 1 1251 111 111 ILE H H 9.1630 0.02 1 1252 111 111 ILE HA H 5.2360 0.02 1 1253 111 111 ILE HB H 1.8730 0.02 1 1254 111 111 ILE HG12 H 1.1200 0.02 2 1255 111 111 ILE HG13 H 1.8400 0.02 2 1256 111 111 ILE HG2 H 0.7820 0.02 1 1257 111 111 ILE HD1 H 0.8300 0.02 1 1258 111 111 ILE C C 174.6920 0.3 1 1259 111 111 ILE CA C 59.8560 0.3 1 1260 111 111 ILE CB C 40.1090 0.3 1 1261 111 111 ILE CG1 C 28.9300 0.3 1 1262 111 111 ILE CG2 C 17.3200 0.3 1 1263 111 111 ILE CD1 C 15.5500 0.3 1 1264 111 111 ILE N N 124.2770 0.2 1 1265 112 112 ILE H H 9.0100 0.02 1 1266 112 112 ILE HA H 4.7660 0.02 1 1267 112 112 ILE HB H 1.7330 0.02 1 1268 112 112 ILE HG12 H 1.5360 0.02 2 1269 112 112 ILE HG13 H 1.1850 0.02 2 1270 112 112 ILE HG2 H 0.9020 0.02 1 1271 112 112 ILE HD1 H 0.8590 0.02 1 1272 112 112 ILE C C 173.5020 0.3 1 1273 112 112 ILE CA C 58.1150 0.3 1 1274 112 112 ILE CB C 40.7020 0.3 1 1275 112 112 ILE CG1 C 27.5500 0.3 1 1276 112 112 ILE CG2 C 17.0300 0.3 1 1277 112 112 ILE CD1 C 14.0500 0.3 1 1278 112 112 ILE N N 128.4420 0.2 1 1279 113 113 PRO HA H 4.7450 0.02 1 1280 113 113 PRO HB2 H 2.2800 0.02 2 1281 113 113 PRO HB3 H 2.1570 0.02 2 1282 113 113 PRO HG2 H 2.2820 0.02 2 1283 113 113 PRO HG3 H 1.8790 0.02 2 1284 113 113 PRO HD2 H 3.8960 0.02 2 1285 113 113 PRO HD3 H 3.8960 0.02 2 1286 113 113 PRO C C 174.8840 0.3 1 1287 113 113 PRO CA C 62.6110 0.3 1 1288 113 113 PRO CB C 32.2790 0.3 1 1289 113 113 PRO CG C 27.6700 0.3 1 1290 113 113 PRO CD C 51.4200 0.3 1 1291 114 114 SER H H 8.8310 0.02 1 1292 114 114 SER HA H 5.0280 0.02 1 1293 114 114 SER HB2 H 3.8160 0.02 2 1294 114 114 SER HB3 H 3.5890 0.02 2 1295 114 114 SER C C 174.3960 0.3 1 1296 114 114 SER CA C 55.8500 0.3 1 1297 114 114 SER CB C 65.5440 0.3 1 1298 114 114 SER N N 118.1160 0.2 1 1299 115 115 THR H H 9.0860 0.02 1 1300 115 115 THR HA H 4.8880 0.02 1 1301 115 115 THR HB H 4.7030 0.02 1 1302 115 115 THR HG2 H 1.3660 0.02 1 1303 115 115 THR C C 174.8330 0.3 1 1304 115 115 THR CA C 60.4620 0.3 1 1305 115 115 THR CB C 72.9450 0.3 1 1306 115 115 THR CG2 C 22.1500 0.3 1 1307 115 115 THR N N 114.0030 0.2 1 1308 116 116 GLU H H 8.9830 0.02 1 1309 116 116 GLU HA H 4.2000 0.02 1 1310 116 116 GLU HB2 H 2.1800 0.02 2 1311 116 116 GLU HB3 H 1.9460 0.02 2 1312 116 116 GLU HG2 H 2.3440 0.02 2 1313 116 116 GLU HG3 H 2.3440 0.02 2 1314 116 116 GLU C C 178.2290 0.3 1 1315 116 116 GLU CA C 58.6660 0.3 1 1316 116 116 GLU CB C 29.4990 0.3 1 1317 116 116 GLU CG C 36.2300 0.3 1 1318 116 116 GLU N N 122.1010 0.2 1 1319 117 117 GLU H H 8.5560 0.02 1 1320 117 117 GLU HA H 3.9780 0.02 1 1321 117 117 GLU HB2 H 2.0650 0.02 2 1322 117 117 GLU HB3 H 1.9140 0.02 2 1323 117 117 GLU HG2 H 2.2980 0.02 2 1324 117 117 GLU HG3 H 2.2980 0.02 2 1325 117 117 GLU C C 178.8160 0.3 1 1326 117 117 GLU CA C 59.8980 0.3 1 1327 117 117 GLU CB C 29.2270 0.3 1 1328 117 117 GLU CG C 36.9700 0.3 1 1329 117 117 GLU N N 119.2550 0.2 1 1330 118 118 ASP H H 7.7370 0.02 1 1331 118 118 ASP HA H 4.4150 0.02 1 1332 118 118 ASP HB2 H 2.8390 0.02 2 1333 118 118 ASP HB3 H 2.8390 0.02 2 1334 118 118 ASP C C 176.8440 0.3 1 1335 118 118 ASP CA C 57.2820 0.3 1 1336 118 118 ASP CB C 40.1670 0.3 1 1337 118 118 ASP N N 120.5630 0.2 1 1338 119 119 ARG H H 8.5550 0.02 1 1339 119 119 ARG HA H 3.6010 0.02 1 1340 119 119 ARG HB2 H 1.8880 0.02 2 1341 119 119 ARG HB3 H 1.7150 0.02 2 1342 119 119 ARG HG2 H 1.4280 0.02 2 1343 119 119 ARG HG3 H 1.0380 0.02 2 1344 119 119 ARG HD2 H 2.4820 0.02 2 1345 119 119 ARG HD3 H 2.8490 0.02 2 1346 119 119 ARG HE H 7.8080 0.02 1 1347 119 119 ARG C C 177.4240 0.3 1 1348 119 119 ARG CA C 60.2800 0.3 1 1349 119 119 ARG CB C 29.9500 0.3 1 1350 119 119 ARG CG C 27.8600 0.3 1 1351 119 119 ARG CD C 43.0500 0.3 1 1352 119 119 ARG N N 121.6250 0.2 1 1353 119 119 ARG NE N 85.2270 0.2 1 1354 120 120 GLN H H 7.6480 0.02 1 1355 120 120 GLN HA H 3.7420 0.02 1 1356 120 120 GLN HB2 H 2.0820 0.02 2 1357 120 120 GLN HB3 H 2.0380 0.02 2 1358 120 120 GLN HG2 H 2.3630 0.02 2 1359 120 120 GLN HG3 H 2.3630 0.02 2 1360 120 120 GLN HE21 H 7.5620 0.02 2 1361 120 120 GLN HE22 H 6.6550 0.02 2 1362 120 120 GLN C C 177.8380 0.3 1 1363 120 120 GLN CA C 58.4720 0.3 1 1364 120 120 GLN CB C 27.8730 0.3 1 1365 120 120 GLN CG C 33.6460 0.3 1 1366 120 120 GLN N N 115.6180 0.2 1 1367 120 120 GLN NE2 N 114.2400 0.2 1 1368 121 121 LYS H H 7.2260 0.02 1 1369 121 121 LYS HA H 3.8590 0.02 1 1370 121 121 LYS HB2 H 1.6140 0.02 2 1371 121 121 LYS HB3 H 1.5130 0.02 2 1372 121 121 LYS HG2 H 1.4090 0.02 2 1373 121 121 LYS HG3 H 1.6140 0.02 2 1374 121 121 LYS HD2 H 1.8010 0.02 2 1375 121 121 LYS HD3 H 1.8010 0.02 2 1376 121 121 LYS HE2 H 3.0740 0.02 2 1377 121 121 LYS HE3 H 3.0740 0.02 2 1378 121 121 LYS C C 178.2690 0.3 1 1379 121 121 LYS CA C 59.4520 0.3 1 1380 121 121 LYS CB C 32.4150 0.3 1 1381 121 121 LYS CG C 26.0600 0.3 1 1382 121 121 LYS CD C 29.4300 0.3 1 1383 121 121 LYS CE C 42.4500 0.3 1 1384 121 121 LYS N N 119.1160 0.2 1 1385 122 122 ALA H H 8.0550 0.02 1 1386 122 122 ALA HA H 3.2220 0.02 1 1387 122 122 ALA HB H 1.1530 0.02 1 1388 122 122 ALA C C 179.9570 0.3 1 1389 122 122 ALA CA C 55.5550 0.3 1 1390 122 122 ALA CB C 17.0130 0.3 1 1391 122 122 ALA N N 123.6100 0.2 1 1392 123 123 LEU H H 8.2810 0.02 1 1393 123 123 LEU HA H 3.9690 0.02 1 1394 123 123 LEU HB2 H 1.7950 0.02 2 1395 123 123 LEU HB3 H 1.3890 0.02 2 1396 123 123 LEU HG H 1.7240 0.02 1 1397 123 123 LEU HD1 H 0.6940 0.02 2 1398 123 123 LEU HD2 H 0.7490 0.02 2 1399 123 123 LEU C C 181.6370 0.3 1 1400 123 123 LEU CA C 58.0970 0.3 1 1401 123 123 LEU CB C 41.8180 0.3 1 1402 123 123 LEU CG C 26.5700 0.3 1 1403 123 123 LEU CD1 C 25.5400 0.3 2 1404 123 123 LEU CD2 C 23.5900 0.3 2 1405 123 123 LEU N N 119.5880 0.2 1 1406 124 124 ASP H H 7.8510 0.02 1 1407 124 124 ASP HA H 4.3630 0.02 1 1408 124 124 ASP HB2 H 2.7850 0.02 2 1409 124 124 ASP HB3 H 2.6330 0.02 2 1410 124 124 ASP C C 177.0120 0.3 1 1411 124 124 ASP CA C 56.8550 0.3 1 1412 124 124 ASP CB C 40.4610 0.3 1 1413 124 124 ASP N N 120.5440 0.2 1 1414 125 125 GLN H H 7.3600 0.02 1 1415 125 125 GLN HA H 4.4550 0.02 1 1416 125 125 GLN HB2 H 2.3990 0.02 2 1417 125 125 GLN HB3 H 1.6170 0.02 2 1418 125 125 GLN HG2 H 2.2390 0.02 2 1419 125 125 GLN HG3 H 2.4290 0.02 2 1420 125 125 GLN HE21 H 7.3510 0.02 2 1421 125 125 GLN HE22 H 6.6080 0.02 2 1422 125 125 GLN C C 174.2000 0.3 1 1423 125 125 GLN CA C 54.0220 0.3 1 1424 125 125 GLN CB C 28.6430 0.3 1 1425 125 125 GLN CG C 32.9400 0.3 1 1426 125 125 GLN N N 115.5240 0.2 1 1427 125 125 GLN NE2 N 111.0000 0.2 1 1428 126 126 ASN H H 8.1590 0.02 1 1429 126 126 ASN HA H 4.2950 0.02 1 1430 126 126 ASN HB2 H 3.0640 0.02 2 1431 126 126 ASN HB3 H 2.6130 0.02 2 1432 126 126 ASN HD21 H 7.4440 0.02 2 1433 126 126 ASN HD22 H 6.8060 0.02 2 1434 126 126 ASN C C 173.2580 0.3 1 1435 126 126 ASN CA C 54.1080 0.3 1 1436 126 126 ASN CB C 37.1210 0.3 1 1437 126 126 ASN N N 117.3760 0.2 1 1438 126 126 ASN ND2 N 111.3600 0.2 1 1439 127 127 LEU H H 8.0790 0.02 1 1440 127 127 LEU HA H 4.6960 0.02 1 1441 127 127 LEU HB2 H 1.5600 0.02 2 1442 127 127 LEU HB3 H 1.5030 0.02 2 1443 127 127 LEU HG H 1.6520 0.02 1 1444 127 127 LEU HD1 H 0.6580 0.02 2 1445 127 127 LEU HD2 H 0.7430 0.02 2 1446 127 127 LEU C C 175.3210 0.3 1 1447 127 127 LEU CA C 53.1810 0.3 1 1448 127 127 LEU CB C 47.5280 0.3 1 1449 127 127 LEU CG C 26.2900 0.3 1 1450 127 127 LEU CD1 C 26.2900 0.3 2 1451 127 127 LEU CD2 C 23.7200 0.3 2 1452 127 127 LEU N N 119.0170 0.2 1 1453 128 128 SER H H 7.3970 0.02 1 1454 128 128 SER HA H 4.2900 0.02 1 1455 128 128 SER HB2 H 4.1630 0.02 2 1456 128 128 SER HB3 H 3.8870 0.02 2 1457 128 128 SER C C 174.9950 0.3 1 1458 128 128 SER CA C 56.6250 0.3 1 1459 128 128 SER CB C 64.6050 0.3 1 1460 128 128 SER N N 113.8070 0.2 1 1461 129 129 MET H H 11.1340 0.02 1 1462 129 129 MET HA H 3.7120 0.02 1 1463 129 129 MET HB2 H 2.8440 0.02 2 1464 129 129 MET HB3 H 2.3000 0.02 2 1465 129 129 MET HG2 H 2.0290 0.02 2 1466 129 129 MET HG3 H 1.9800 0.02 2 1467 129 129 MET HE H 1.9210 0.02 1 1468 129 129 MET C C 179.6170 0.3 1 1469 129 129 MET CA C 60.4880 0.3 1 1470 129 129 MET CB C 33.2520 0.3 1 1471 129 129 MET CG C 33.2520 0.3 1 1472 129 129 MET CE C 16.0700 0.3 1 1473 129 129 MET N N 121.5250 0.2 1 1474 130 130 GLY H H 7.6530 0.02 1 1475 130 130 GLY HA2 H 3.7520 0.02 2 1476 130 130 GLY HA3 H 3.7520 0.02 1 1477 130 130 GLY C C 173.9020 0.3 1 1478 130 130 GLY CA C 47.3250 0.3 1 1479 130 130 GLY N N 104.5690 0.2 1 1480 131 131 ARG H H 7.8290 0.02 1 1481 131 131 ARG HA H 3.7270 0.02 1 1482 131 131 ARG HB2 H 1.7130 0.02 2 1483 131 131 ARG HB3 H 1.5480 0.02 2 1484 131 131 ARG HG2 H 1.3880 0.02 2 1485 131 131 ARG HG3 H 1.3880 0.02 2 1486 131 131 ARG HD2 H 3.3310 0.02 2 1487 131 131 ARG HD3 H 3.3310 0.02 2 1488 131 131 ARG HE H 6.5330 0.02 1 1489 131 131 ARG C C 177.9950 0.3 1 1490 131 131 ARG CA C 60.3440 0.3 1 1491 131 131 ARG CB C 29.7800 0.3 1 1492 131 131 ARG CG C 24.9900 0.3 1 1493 131 131 ARG CD C 42.5900 0.3 1 1494 131 131 ARG N N 121.1100 0.2 1 1495 131 131 ARG NE N 84.2100 0.2 1 1496 132 132 TYR H H 8.5780 0.02 1 1497 132 132 TYR HA H 4.0400 0.02 1 1498 132 132 TYR HB2 H 2.8980 0.02 2 1499 132 132 TYR HB3 H 2.8980 0.02 2 1500 132 132 TYR HD1 H 6.9500 0.02 3 1501 132 132 TYR HD2 H 6.9500 0.02 3 1502 132 132 TYR HE1 H 6.6430 0.02 3 1503 132 132 TYR HE2 H 6.6430 0.02 3 1504 132 132 TYR C C 175.6300 0.3 1 1505 132 132 TYR CA C 62.0480 0.3 1 1506 132 132 TYR CB C 39.0640 0.3 1 1507 132 132 TYR CD1 C 132.3400 0.3 3 1508 132 132 TYR CD2 C 132.3400 0.3 3 1509 132 132 TYR CE1 C 118.2800 0.3 3 1510 132 132 TYR CE2 C 118.2800 0.3 3 1511 132 132 TYR N N 118.8150 0.2 1 1512 133 133 ALA H H 7.9150 0.02 1 1513 133 133 ALA HA H 3.9340 0.02 1 1514 133 133 ALA HB H 1.5850 0.02 1 1515 133 133 ALA C C 180.8390 0.3 1 1516 133 133 ALA CA C 54.9360 0.3 1 1517 133 133 ALA CB C 18.9800 0.3 1 1518 133 133 ALA N N 119.5760 0.2 1 1519 134 134 ILE H H 7.7320 0.02 1 1520 134 134 ILE HA H 3.5920 0.02 1 1521 134 134 ILE HB H 1.8020 0.02 1 1522 134 134 ILE HG12 H 1.2100 0.02 2 1523 134 134 ILE HG13 H 1.5810 0.02 2 1524 134 134 ILE HG2 H 0.7290 0.02 1 1525 134 134 ILE HD1 H 0.6510 0.02 1 1526 134 134 ILE C C 175.8500 0.3 1 1527 134 134 ILE CA C 64.4100 0.3 1 1528 134 134 ILE CB C 36.9050 0.3 1 1529 134 134 ILE CG1 C 28.6100 0.3 1 1530 134 134 ILE CG2 C 17.5600 0.3 1 1531 134 134 ILE CD1 C 13.5300 0.3 1 1532 134 134 ILE N N 117.7210 0.2 1 1533 135 135 TYR H H 8.0190 0.02 1 1534 135 135 TYR HA H 3.9980 0.02 1 1535 135 135 TYR HB2 H 3.1120 0.02 2 1536 135 135 TYR HB3 H 2.8210 0.02 2 1537 135 135 TYR HD1 H 6.6790 0.02 3 1538 135 135 TYR HD2 H 6.6790 0.02 3 1539 135 135 TYR HE1 H 6.7080 0.02 3 1540 135 135 TYR HE2 H 6.7080 0.02 3 1541 135 135 TYR C C 175.5850 0.3 1 1542 135 135 TYR CA C 61.4900 0.3 1 1543 135 135 TYR CB C 37.6940 0.3 1 1544 135 135 TYR CD1 C 132.6500 0.3 3 1545 135 135 TYR CD2 C 132.6500 0.3 3 1546 135 135 TYR CE1 C 118.0900 0.3 3 1547 135 135 TYR CE2 C 118.0900 0.3 3 1548 135 135 TYR N N 121.9330 0.2 1 1549 136 136 VAL H H 8.2490 0.02 1 1550 136 136 VAL HA H 3.0740 0.02 1 1551 136 136 VAL HB H 1.7490 0.02 1 1552 136 136 VAL HG1 H 0.5230 0.02 2 1553 136 136 VAL HG2 H 0.7030 0.02 2 1554 136 136 VAL C C 178.5640 0.3 1 1555 136 136 VAL CA C 66.3270 0.3 1 1556 136 136 VAL CB C 31.3970 0.3 1 1557 136 136 VAL CG1 C 22.2300 0.3 2 1558 136 136 VAL CG2 C 21.6370 0.3 2 1559 136 136 VAL N N 117.0460 0.2 1 1560 137 137 LYS H H 7.5950 0.02 1 1561 137 137 LYS HA H 4.0070 0.02 1 1562 137 137 LYS HB2 H 1.8300 0.02 2 1563 137 137 LYS HB3 H 1.8300 0.02 2 1564 137 137 LYS HG2 H 1.4790 0.02 2 1565 137 137 LYS HG3 H 1.3810 0.02 2 1566 137 137 LYS HD2 H 1.6610 0.02 2 1567 137 137 LYS HD3 H 1.6610 0.02 2 1568 137 137 LYS HE2 H 2.9360 0.02 2 1569 137 137 LYS HE3 H 2.9360 0.02 2 1570 137 137 LYS C C 177.4430 0.3 1 1571 137 137 LYS CA C 58.6380 0.3 1 1572 137 137 LYS CB C 32.1200 0.3 1 1573 137 137 LYS CG C 24.8400 0.3 1 1574 137 137 LYS CD C 29.4500 0.3 1 1575 137 137 LYS CE C 42.3200 0.3 1 1576 137 137 LYS N N 120.7350 0.2 1 1577 138 138 ALA H H 8.5710 0.02 1 1578 138 138 ALA HA H 3.7110 0.02 1 1579 138 138 ALA HB H 1.3800 0.02 1 1580 138 138 ALA C C 179.1950 0.3 1 1581 138 138 ALA CA C 55.4300 0.3 1 1582 138 138 ALA CB C 18.0220 0.3 1 1583 138 138 ALA N N 121.5520 0.2 1 1584 139 139 VAL H H 8.0410 0.02 1 1585 139 139 VAL HA H 3.6320 0.02 1 1586 139 139 VAL HB H 1.8570 0.02 1 1587 139 139 VAL HG1 H 0.6000 0.02 2 1588 139 139 VAL HG2 H 0.8080 0.02 2 1589 139 139 VAL C C 180.3600 0.3 1 1590 139 139 VAL CA C 66.1690 0.3 1 1591 139 139 VAL CB C 31.3840 0.3 1 1592 139 139 VAL CG1 C 22.3570 0.3 2 1593 139 139 VAL CG2 C 21.4190 0.3 2 1594 139 139 VAL N N 118.3330 0.2 1 1595 140 140 GLU H H 7.9760 0.02 1 1596 140 140 GLU HA H 3.9500 0.02 1 1597 140 140 GLU HB2 H 2.2130 0.02 2 1598 140 140 GLU HB3 H 2.1230 0.02 2 1599 140 140 GLU HG2 H 2.3920 0.02 2 1600 140 140 GLU HG3 H 2.3920 0.02 2 1601 140 140 GLU C C 178.2160 0.3 1 1602 140 140 GLU CA C 59.2490 0.3 1 1603 140 140 GLU CB C 29.3610 0.3 1 1604 140 140 GLU CG C 36.4100 0.3 1 1605 140 140 GLU N N 121.5440 0.2 1 1606 141 141 GLU H H 8.0390 0.02 1 1607 141 141 GLU HA H 4.2930 0.02 1 1608 141 141 GLU HB2 H 2.2200 0.02 2 1609 141 141 GLU HB3 H 1.9010 0.02 2 1610 141 141 GLU HG2 H 2.4660 0.02 2 1611 141 141 GLU HG3 H 2.2990 0.02 2 1612 141 141 GLU C C 176.1570 0.3 1 1613 141 141 GLU CA C 56.4740 0.3 1 1614 141 141 GLU CB C 30.1900 0.3 1 1615 141 141 GLU CG C 36.4800 0.3 1 1616 141 141 GLU N N 115.9290 0.2 1 1617 142 142 GLY H H 7.8140 0.02 1 1618 142 142 GLY HA2 H 3.7710 0.02 2 1619 142 142 GLY HA3 H 4.0640 0.02 1 1620 142 142 GLY C C 174.3090 0.3 1 1621 142 142 GLY CA C 45.9810 0.3 1 1622 142 142 GLY N N 108.2990 0.2 1 1623 143 143 VAL H H 8.2670 0.02 1 1624 143 143 VAL HA H 3.7310 0.02 1 1625 143 143 VAL HB H 1.7550 0.02 1 1626 143 143 VAL HG1 H 0.7580 0.02 2 1627 143 143 VAL HG2 H 0.7580 0.02 2 1628 143 143 VAL C C 175.3560 0.3 1 1629 143 143 VAL CA C 61.6260 0.3 1 1630 143 143 VAL CB C 32.3750 0.3 1 1631 143 143 VAL CG1 C 21.5800 0.3 2 1632 143 143 VAL CG2 C 21.5800 0.3 2 1633 143 143 VAL N N 121.6930 0.2 1 1634 144 144 ASN H H 8.7120 0.02 1 1635 144 144 ASN HA H 4.5560 0.02 1 1636 144 144 ASN HB2 H 2.8660 0.02 2 1637 144 144 ASN HB3 H 2.7210 0.02 2 1638 144 144 ASN HD21 H 7.5810 0.02 2 1639 144 144 ASN HD22 H 6.8930 0.02 2 1640 144 144 ASN C C 172.8920 0.3 1 1641 144 144 ASN CA C 53.1140 0.3 1 1642 144 144 ASN CB C 36.9490 0.3 1 1643 144 144 ASN N N 125.6900 0.2 1 1644 144 144 ASN ND2 N 112.0200 0.2 1 1645 145 145 LEU H H 7.6240 0.02 1 1646 145 145 LEU HA H 4.6760 0.02 1 1647 145 145 LEU HB2 H 1.6800 0.02 2 1648 145 145 LEU HB3 H 1.1100 0.02 2 1649 145 145 LEU HG H 0.8000 0.02 1 1650 145 145 LEU HD1 H 0.8000 0.02 2 1651 145 145 LEU HD2 H 0.8420 0.02 2 1652 145 145 LEU C C 174.0890 0.3 1 1653 145 145 LEU CA C 54.2240 0.3 1 1654 145 145 LEU CB C 44.1790 0.3 1 1655 145 145 LEU CG C 26.4100 0.3 1 1656 145 145 LEU CD1 C 26.4100 0.3 2 1657 145 145 LEU CD2 C 25.2400 0.3 2 1658 145 145 LEU N N 128.0040 0.2 1 1659 146 146 ASN H H 8.9650 0.02 1 1660 146 146 ASN HA H 5.0470 0.02 1 1661 146 146 ASN HB2 H 3.2390 0.02 2 1662 146 146 ASN HB3 H 2.8890 0.02 2 1663 146 146 ASN HD21 H 7.4640 0.02 2 1664 146 146 ASN HD22 H 6.8440 0.02 2 1665 146 146 ASN C C 174.8380 0.3 1 1666 146 146 ASN CA C 51.5310 0.3 1 1667 146 146 ASN CB C 39.2150 0.3 1 1668 146 146 ASN N N 124.3950 0.2 1 1669 146 146 ASN ND2 N 112.3400 0.2 1 1670 147 147 LEU H H 8.3050 0.02 1 1671 147 147 LEU HA H 3.4760 0.02 1 1672 147 147 LEU HB2 H 1.4500 0.02 2 1673 147 147 LEU HB3 H 1.4500 0.02 2 1674 147 147 LEU HG H 1.2800 0.02 1 1675 147 147 LEU HD1 H 0.5190 0.02 2 1676 147 147 LEU HD2 H 0.5990 0.02 2 1677 147 147 LEU C C 177.6540 0.3 1 1678 147 147 LEU CA C 58.2550 0.3 1 1679 147 147 LEU CB C 42.1440 0.3 1 1680 147 147 LEU CG C 27.3300 0.3 1 1681 147 147 LEU CD1 C 24.7500 0.3 2 1682 147 147 LEU CD2 C 24.0600 0.3 2 1683 147 147 LEU N N 120.7270 0.2 1 1684 148 148 GLU H H 7.9530 0.02 1 1685 148 148 GLU HA H 3.8850 0.02 1 1686 148 148 GLU HB2 H 1.9850 0.02 2 1687 148 148 GLU HB3 H 1.9850 0.02 2 1688 148 148 GLU HG2 H 2.2670 0.02 2 1689 148 148 GLU HG3 H 2.2670 0.02 2 1690 148 148 GLU C C 178.5170 0.3 1 1691 148 148 GLU CA C 59.6250 0.3 1 1692 148 148 GLU CB C 28.7420 0.3 1 1693 148 148 GLU CG C 36.7900 0.3 1 1694 148 148 GLU N N 116.9240 0.2 1 1695 149 149 ASP H H 8.2850 0.02 1 1696 149 149 ASP HA H 4.4350 0.02 1 1697 149 149 ASP HB2 H 2.4320 0.02 2 1698 149 149 ASP HB3 H 2.4300 0.02 2 1699 149 149 ASP C C 177.6570 0.3 1 1700 149 149 ASP CA C 56.9350 0.3 1 1701 149 149 ASP CB C 40.3170 0.3 1 1702 149 149 ASP N N 120.5420 0.2 1 1703 150 150 ALA H H 8.3140 0.02 1 1704 150 150 ALA HA H 3.8730 0.02 1 1705 150 150 ALA HB H 1.3380 0.02 1 1706 150 150 ALA C C 177.5440 0.3 1 1707 150 150 ALA CA C 54.5950 0.3 1 1708 150 150 ALA CB C 17.4990 0.3 1 1709 150 150 ALA N N 120.7270 0.2 1 1710 151 151 ARG H H 7.6930 0.02 1 1711 151 151 ARG HA H 3.8780 0.02 1 1712 151 151 ARG HB2 H 1.8400 0.02 2 1713 151 151 ARG HB3 H 1.8400 0.02 2 1714 151 151 ARG HG2 H 1.6390 0.02 2 1715 151 151 ARG HG3 H 1.7460 0.02 2 1716 151 151 ARG HD2 H 3.4360 0.02 2 1717 151 151 ARG HD3 H 3.4360 0.02 2 1718 151 151 ARG HE H 6.9340 0.02 1 1719 151 151 ARG C C 177.3390 0.3 1 1720 151 151 ARG CA C 59.1150 0.3 1 1721 151 151 ARG CB C 31.4220 0.3 1 1722 151 151 ARG CG C 28.8600 0.3 1 1723 151 151 ARG CD C 43.2800 0.3 1 1724 151 151 ARG N N 115.2020 0.2 1 1725 151 151 ARG NE N 83.3650 0.2 1 1726 152 152 ASN H H 8.0100 0.02 1 1727 152 152 ASN HA H 4.7390 0.02 1 1728 152 152 ASN HB2 H 2.9410 0.02 2 1729 152 152 ASN HB3 H 2.7790 0.02 2 1730 152 152 ASN HD21 H 7.6390 0.02 2 1731 152 152 ASN HD22 H 7.0180 0.02 2 1732 152 152 ASN C C 176.9120 0.3 1 1733 152 152 ASN CA C 54.8600 0.3 1 1734 152 152 ASN CB C 41.0830 0.3 1 1735 152 152 ASN N N 114.1610 0.2 1 1736 152 152 ASN ND2 N 113.8080 0.2 1 1737 153 153 LEU H H 8.6600 0.02 1 1738 153 153 LEU HA H 4.4260 0.02 1 1739 153 153 LEU HB2 H 1.7950 0.02 2 1740 153 153 LEU HB3 H 1.4410 0.02 2 1741 153 153 LEU HG H 1.9220 0.02 1 1742 153 153 LEU HD1 H 0.7200 0.02 2 1743 153 153 LEU HD2 H 0.8600 0.02 2 1744 153 153 LEU C C 176.8520 0.3 1 1745 153 153 LEU CA C 55.0290 0.3 1 1746 153 153 LEU CB C 42.0880 0.3 1 1747 153 153 LEU CG C 26.6600 0.3 1 1748 153 153 LEU CD1 C 25.6300 0.3 2 1749 153 153 LEU CD2 C 21.9500 0.3 2 1750 153 153 LEU N N 120.7790 0.2 1 1751 154 154 SER H H 9.0510 0.02 1 1752 154 154 SER HA H 4.4030 0.02 1 1753 154 154 SER HB2 H 4.1460 0.02 2 1754 154 154 SER HB3 H 3.9820 0.02 2 1755 154 154 SER C C 174.3990 0.3 1 1756 154 154 SER CA C 57.9980 0.3 1 1757 154 154 SER CB C 63.9720 0.3 1 1758 154 154 SER N N 116.6980 0.2 1 1759 155 155 VAL H H 7.7090 0.02 1 1760 155 155 VAL HA H 3.3990 0.02 1 1761 155 155 VAL HB H 2.0500 0.02 1 1762 155 155 VAL HG1 H 0.7760 0.02 2 1763 155 155 VAL HG2 H 1.0120 0.02 2 1764 155 155 VAL C C 177.0080 0.3 1 1765 155 155 VAL CA C 67.0110 0.3 1 1766 155 155 VAL CB C 31.9630 0.3 1 1767 155 155 VAL CG1 C 23.3780 0.3 2 1768 155 155 VAL CG2 C 22.7400 0.3 2 1769 155 155 VAL N N 120.9640 0.2 1 1770 156 156 SER H H 8.7150 0.02 1 1771 156 156 SER HA H 3.9150 0.02 1 1772 156 156 SER HB2 H 3.8710 0.02 2 1773 156 156 SER HB3 H 3.8710 0.02 2 1774 156 156 SER C C 177.2250 0.3 1 1775 156 156 SER CA C 62.3230 0.3 1 1776 156 156 SER CB C 62.5400 0.3 1 1777 156 156 SER N N 113.2340 0.2 1 1778 157 157 GLU H H 7.6580 0.02 1 1779 157 157 GLU HA H 4.0500 0.02 1 1780 157 157 GLU HB2 H 2.2550 0.02 2 1781 157 157 GLU HB3 H 1.9450 0.02 2 1782 157 157 GLU HG2 H 2.1590 0.02 2 1783 157 157 GLU HG3 H 2.3130 0.02 2 1784 157 157 GLU C C 179.2490 0.3 1 1785 157 157 GLU CA C 59.1700 0.3 1 1786 157 157 GLU CB C 30.1340 0.3 1 1787 157 157 GLU CG C 37.1800 0.3 1 1788 157 157 GLU N N 122.5040 0.2 1 1789 158 158 ILE H H 8.3610 0.02 1 1790 158 158 ILE HA H 3.7830 0.02 1 1791 158 158 ILE HB H 1.7840 0.02 1 1792 158 158 ILE HG12 H 1.5440 0.02 2 1793 158 158 ILE HG13 H 1.3400 0.02 2 1794 158 158 ILE HG2 H 0.8920 0.02 1 1795 158 158 ILE HD1 H 0.8130 0.02 1 1796 158 158 ILE C C 176.9100 0.3 1 1797 158 158 ILE CA C 66.1450 0.3 1 1798 158 158 ILE CB C 37.1770 0.3 1 1799 158 158 ILE CG1 C 27.8860 0.3 1 1800 158 158 ILE CG2 C 18.9300 0.3 1 1801 158 158 ILE CD1 C 14.0800 0.3 1 1802 158 158 ILE N N 117.6200 0.2 1 1803 159 159 LEU H H 8.2600 0.02 1 1804 159 159 LEU HA H 3.9880 0.02 1 1805 159 159 LEU HB2 H 1.7220 0.02 2 1806 159 159 LEU HB3 H 1.3940 0.02 2 1807 159 159 LEU HG H 1.7540 0.02 1 1808 159 159 LEU HD1 H 0.7320 0.02 2 1809 159 159 LEU HD2 H 0.7560 0.02 2 1810 159 159 LEU C C 180.2940 0.3 1 1811 159 159 LEU CA C 57.8350 0.3 1 1812 159 159 LEU CB C 40.6990 0.3 1 1813 159 159 LEU CG C 27.2400 0.3 1 1814 159 159 LEU CD1 C 26.4400 0.3 2 1815 159 159 LEU CD2 C 22.6110 0.3 2 1816 159 159 LEU N N 120.0030 0.2 1 1817 160 160 GLY H H 7.8140 0.02 1 1818 160 160 GLY HA2 H 3.8690 0.02 2 1819 160 160 GLY HA3 H 3.8690 0.02 1 1820 160 160 GLY C C 175.4170 0.3 1 1821 160 160 GLY CA C 46.5020 0.3 1 1822 160 160 GLY N N 106.1010 0.2 1 1823 161 161 LYS H H 7.5740 0.02 1 1824 161 161 LYS HA H 4.1350 0.02 1 1825 161 161 LYS HB2 H 1.9930 0.02 2 1826 161 161 LYS HB3 H 1.7100 0.02 2 1827 161 161 LYS HG2 H 1.5780 0.02 2 1828 161 161 LYS HG3 H 1.5780 0.02 2 1829 161 161 LYS HD2 H 1.7150 0.02 2 1830 161 161 LYS HD3 H 1.7150 0.02 2 1831 161 161 LYS HE2 H 2.9990 0.02 2 1832 161 161 LYS HE3 H 2.9900 0.02 2 1833 161 161 LYS C C 177.5430 0.3 1 1834 161 161 LYS CA C 57.9360 0.3 1 1835 161 161 LYS CB C 32.3890 0.3 1 1836 161 161 LYS CG C 25.4100 0.3 1 1837 161 161 LYS CD C 29.6100 0.3 1 1838 161 161 LYS CE C 42.1300 0.3 1 1839 161 161 LYS N N 119.9610 0.2 1 1840 162 162 LEU H H 7.2630 0.02 1 1841 162 162 LEU HA H 4.1790 0.02 1 1842 162 162 LEU HB2 H 1.7560 0.02 2 1843 162 162 LEU HB3 H 1.6470 0.02 2 1844 162 162 LEU HG H 1.7170 0.02 1 1845 162 162 LEU HD1 H 0.8790 0.02 2 1846 162 162 LEU HD2 H 0.7440 0.02 2 1847 162 162 LEU C C 177.2170 0.3 1 1848 162 162 LEU CA C 55.7510 0.3 1 1849 162 162 LEU CB C 41.8520 0.3 1 1850 162 162 LEU CG C 27.1300 0.3 1 1851 162 162 LEU CD1 C 25.3700 0.3 2 1852 162 162 LEU CD2 C 22.9600 0.3 2 1853 162 162 LEU N N 117.1550 0.2 1 1854 163 163 GLU H H 8.1370 0.02 1 1855 163 163 GLU HA H 4.0510 0.02 1 1856 163 163 GLU HB2 H 1.9250 0.02 2 1857 163 163 GLU HB3 H 1.9250 0.02 2 1858 163 163 GLU HG2 H 2.1170 0.02 2 1859 163 163 GLU HG3 H 2.2320 0.02 2 1860 163 163 GLU C C 176.9460 0.3 1 1861 163 163 GLU CA C 57.7310 0.3 1 1862 163 163 GLU CB C 29.7670 0.3 1 1863 163 163 GLU CG C 36.1000 0.3 1 1864 163 163 GLU N N 119.9040 0.2 1 1865 164 164 HIS H H 8.3120 0.02 1 1866 164 164 HIS HA H 4.4830 0.02 1 1867 164 164 HIS HB2 H 3.1310 0.02 2 1868 164 164 HIS HB3 H 3.1310 0.02 2 1869 164 164 HIS HD2 H 7.0570 0.02 1 1870 164 164 HIS C C 174.7290 0.3 1 1871 164 164 HIS CA C 56.6650 0.3 1 1872 164 164 HIS CB C 29.4460 0.3 1 1873 164 164 HIS CD2 C 119.8000 0.3 1 1874 164 164 HIS N N 117.8040 0.2 1 1875 165 165 HIS H H 8.0060 0.02 1 1876 165 165 HIS HA H 4.5070 0.02 1 1877 165 165 HIS HB2 H 3.0760 0.02 2 1878 165 165 HIS HB3 H 3.0760 0.02 2 1879 165 165 HIS C C 174.5330 0.3 1 1880 165 165 HIS CA C 56.6560 0.3 1 1881 165 165 HIS CB C 30.1140 0.3 1 1882 165 165 HIS N N 118.8450 0.2 1 1883 166 166 HIS H H 8.1800 0.02 1 1884 166 166 HIS HA H 4.5510 0.02 1 1885 166 166 HIS HB2 H 3.0590 0.02 2 1886 166 166 HIS HB3 H 3.0590 0.02 2 1887 166 166 HIS C C 174.2460 0.3 1 1888 166 166 HIS CA C 55.9350 0.3 1 1889 166 166 HIS CB C 29.7850 0.3 1 1890 166 166 HIS N N 118.9840 0.2 1 1891 167 167 HIS H H 8.3180 0.02 1 1892 167 167 HIS HA H 4.5820 0.02 1 1893 167 167 HIS HB2 H 3.0430 0.02 2 1894 167 167 HIS HB3 H 3.0430 0.02 2 1895 167 167 HIS C C 174.0570 0.3 1 1896 167 167 HIS CA C 55.8490 0.3 1 1897 167 167 HIS CB C 30.0560 0.3 1 1898 167 167 HIS N N 119.7230 0.2 1 1899 168 168 HIS H H 8.3610 0.02 1 1900 168 168 HIS HA H 4.5850 0.02 1 1901 168 168 HIS HB2 H 3.0930 0.02 2 1902 168 168 HIS HB3 H 3.0930 0.02 2 1903 168 168 HIS C C 173.3760 0.3 1 1904 168 168 HIS CA C 55.8520 0.3 1 1905 168 168 HIS CB C 29.8060 0.3 1 1906 168 168 HIS N N 120.5060 0.2 1 1907 169 169 HIS H H 8.1160 0.02 1 1908 169 169 HIS HA H 4.4140 0.02 1 1909 169 169 HIS HB2 H 3.1700 0.02 2 1910 169 169 HIS HB3 H 3.0590 0.02 2 1911 169 169 HIS C C 178.6030 0.3 1 1912 169 169 HIS CA C 57.2770 0.3 1 1913 169 169 HIS CB C 30.0240 0.3 1 1914 169 169 HIS N N 125.3120 0.2 1 stop_ save_