data_7079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific assignment of a hypothetical protein RP2812 (NESG ID: RPT4) from Rhodopseudomonas palustris ; _BMRB_accession_number 7079 _BMRB_flat_file_name bmr7079.str _Entry_type original _Submission_date 2006-04-20 _Accession_date 2006-04-20 _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 Srisailam Sampath . . 2 Lukin Jonathan A. . 3 Yee Adelinda . . 4 Lemak Alexander . . 5 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 685 "13C chemical shifts" 497 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-06 original author . stop_ _Original_release_date 2006-11-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence specific assignment of a hypothetical protein RP2812 (NESG ID: RPT4) from Rhodopseudomonas palustris ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Srisailam Sampath . . 2 Lukin Jonathan A. . 3 Yee Adelinda . . 4 Lemak Alexander . . 5 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RP2812 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RP2812 $RP2812 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not available' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RP2812 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'conserved unknown protein RPA2825 from Rhodopseudomonas palustris' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MSIFGKIMSAIFGDSAAASP GGAQAPATTGAAGTAPTAPQ PTAAPSIDVAPILDKAVKAK GEKLEWRTSIVDLMKALDID SSLSARKELAKELGYSGDMN DSASMNIWLHKQVMSKLVAN GGKLPPEIKH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ILE 4 PHE 5 GLY 6 LYS 7 ILE 8 MET 9 SER 10 ALA 11 ILE 12 PHE 13 GLY 14 ASP 15 SER 16 ALA 17 ALA 18 ALA 19 SER 20 PRO 21 GLY 22 GLY 23 ALA 24 GLN 25 ALA 26 PRO 27 ALA 28 THR 29 THR 30 GLY 31 ALA 32 ALA 33 GLY 34 THR 35 ALA 36 PRO 37 THR 38 ALA 39 PRO 40 GLN 41 PRO 42 THR 43 ALA 44 ALA 45 PRO 46 SER 47 ILE 48 ASP 49 VAL 50 ALA 51 PRO 52 ILE 53 LEU 54 ASP 55 LYS 56 ALA 57 VAL 58 LYS 59 ALA 60 LYS 61 GLY 62 GLU 63 LYS 64 LEU 65 GLU 66 TRP 67 ARG 68 THR 69 SER 70 ILE 71 VAL 72 ASP 73 LEU 74 MET 75 LYS 76 ALA 77 LEU 78 ASP 79 ILE 80 ASP 81 SER 82 SER 83 LEU 84 SER 85 ALA 86 ARG 87 LYS 88 GLU 89 LEU 90 ALA 91 LYS 92 GLU 93 LEU 94 GLY 95 TYR 96 SER 97 GLY 98 ASP 99 MET 100 ASN 101 ASP 102 SER 103 ALA 104 SER 105 MET 106 ASN 107 ILE 108 TRP 109 LEU 110 HIS 111 LYS 112 GLN 113 VAL 114 MET 115 SER 116 LYS 117 LEU 118 VAL 119 ALA 120 ASN 121 GLY 122 GLY 123 LYS 124 LEU 125 PRO 126 PRO 127 GLU 128 ILE 129 LYS 130 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 2GQB "Solution Structure Of A Conserved Unknown Protein Rpa2825 From Rhodopseudomonas Palustris; (Northeast Structural Genomics Conso" 100.00 130 100.00 100.00 5.86e-86 EMBL CAE28267 "conserved unknown protein [Rhodopseudomonas palustris CGA009]" 100.00 130 100.00 100.00 5.86e-86 GB ACF01669 "conserved hypothetical protein [Rhodopseudomonas palustris TIE-1]" 100.00 130 100.00 100.00 5.86e-86 REF NP_948168 "hypothetical protein RPA2825 [Rhodopseudomonas palustris CGA009]" 100.00 130 100.00 100.00 5.86e-86 REF WP_011158376 "hypothetical protein [Rhodopseudomonas palustris]" 100.00 130 100.00 100.00 5.86e-86 REF YP_001992144 "hypothetical protein Rpal_3165 [Rhodopseudomonas palustris TIE-1]" 100.00 130 100.00 100.00 5.86e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RP2812 'Rhodopseudomonas palustris' 1076 Eubacteria . Rhodopseudomonas palustris 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 $RP2812 'recombinant technology' . . . . . 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 $RP2812 1 mM '[U-15N; U-13C]' MOPS 10 mM . 'Sodium Chloride' 450 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.95 _Details 'Used for Analysis and Assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CCTOCSY_NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCTOCSY NH' _Sample_label $sample_1 save_ save_HCCTOCSY_NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCTOCSY NH' _Sample_label $sample_1 save_ save_HC(C)H-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label $sample_1 save_ save_HCC(H)-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(H)-TOCSY _Sample_label $sample_1 save_ save_15N-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label $sample_1 save_ save_13C-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.3 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 carbons' ppm 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl carbons' ppm 0.0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name RP2812 _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 H H 8.006 0.020 1 2 1 1 MET HA H 4.475 0.020 1 3 1 1 MET HB2 H 2.009 0.020 2 4 1 1 MET HB3 H 2.087 0.020 2 5 1 1 MET HG2 H 2.530 0.020 2 6 1 1 MET HG3 H 2.569 0.020 2 7 1 1 MET C C 175.815 0.400 1 8 1 1 MET CA C 55.526 0.400 1 9 1 1 MET CB C 33.750 0.400 1 10 1 1 MET CG C 32.110 0.400 1 11 1 1 MET N N 120.020 0.400 1 12 2 2 SER H H 8.268 0.020 1 13 2 2 SER HA H 4.482 0.020 1 14 2 2 SER HB2 H 3.910 0.020 2 15 2 2 SER HB3 H 4.274 0.020 2 16 2 2 SER C C 175.156 0.400 1 17 2 2 SER CA C 58.627 0.400 1 18 2 2 SER CB C 64.000 0.400 1 19 2 2 SER N N 118.476 0.400 1 20 3 3 ILE H H 10.275 0.020 1 21 3 3 ILE HA H 3.747 0.020 1 22 3 3 ILE HB H 2.020 0.020 1 23 3 3 ILE HG12 H 1.364 0.020 2 24 3 3 ILE HG13 H 1.770 0.020 2 25 3 3 ILE HG2 H 0.930 0.020 1 26 3 3 ILE HD1 H 0.887 0.020 1 27 3 3 ILE C C 178.751 0.400 1 28 3 3 ILE CA C 64.761 0.400 1 29 3 3 ILE CB C 36.325 0.400 1 30 3 3 ILE CG1 C 28.260 0.400 1 31 3 3 ILE CG2 C 18.790 0.400 1 32 3 3 ILE CD1 C 12.270 0.400 1 33 3 3 ILE N N 127.514 0.400 1 34 4 4 PHE H H 9.984 0.020 1 35 4 4 PHE HA H 4.019 0.020 1 36 4 4 PHE HB2 H 2.930 0.020 2 37 4 4 PHE HB3 H 3.062 0.020 2 38 4 4 PHE HD1 H 7.065 0.020 1 39 4 4 PHE HD2 H 7.065 0.020 1 40 4 4 PHE HE1 H 7.182 0.020 1 41 4 4 PHE HE2 H 7.182 0.020 1 42 4 4 PHE C C 177.504 0.400 1 43 4 4 PHE CA C 62.100 0.400 1 44 4 4 PHE CB C 38.620 0.400 1 45 4 4 PHE CD1 C 131.132 0.400 1 46 4 4 PHE CD2 C 131.132 0.400 1 47 4 4 PHE N N 122.354 0.400 1 48 5 5 GLY H H 8.479 0.020 1 49 5 5 GLY HA2 H 3.454 0.020 2 50 5 5 GLY HA3 H 3.809 0.020 2 51 5 5 GLY C C 176.787 0.400 1 52 5 5 GLY CA C 47.000 0.400 1 53 5 5 GLY N N 105.925 0.400 1 54 6 6 LYS H H 7.987 0.020 1 55 6 6 LYS HA H 3.957 0.020 1 56 6 6 LYS HB2 H 1.860 0.020 1 57 6 6 LYS HB3 H 1.860 0.020 1 58 6 6 LYS HG2 H 1.353 0.020 2 59 6 6 LYS HG3 H 1.726 0.020 2 60 6 6 LYS HD2 H 1.601 0.020 2 61 6 6 LYS HD3 H 1.691 0.020 2 62 6 6 LYS HE2 H 2.961 0.020 1 63 6 6 LYS HE3 H 2.961 0.020 1 64 6 6 LYS C C 179.345 0.400 1 65 6 6 LYS CA C 59.860 0.400 1 66 6 6 LYS CB C 32.490 0.400 1 67 6 6 LYS CG C 25.760 0.400 1 68 6 6 LYS CD C 29.800 0.400 1 69 6 6 LYS CE C 41.580 0.400 1 70 6 6 LYS N N 123.176 0.400 1 71 7 7 ILE H H 7.732 0.020 1 72 7 7 ILE HA H 3.295 0.020 1 73 7 7 ILE HB H 1.823 0.020 1 74 7 7 ILE HG12 H 1.495 0.020 2 75 7 7 ILE HG13 H 0.780 0.020 2 76 7 7 ILE HG2 H 0.637 0.020 1 77 7 7 ILE HD1 H 0.538 0.020 1 78 7 7 ILE C C 176.718 0.400 1 79 7 7 ILE CA C 65.930 0.400 1 80 7 7 ILE CB C 37.770 0.400 1 81 7 7 ILE CG1 C 29.550 0.400 1 82 7 7 ILE CG2 C 15.070 0.400 1 83 7 7 ILE CD1 C 16.280 0.400 1 84 7 7 ILE N N 121.397 0.400 1 85 8 8 MET H H 7.845 0.020 1 86 8 8 MET HA H 4.012 0.020 1 87 8 8 MET HB2 H 1.533 0.020 1 88 8 8 MET HB3 H 1.533 0.020 1 89 8 8 MET HG2 H 1.756 0.020 1 90 8 8 MET HG3 H 1.756 0.020 1 91 8 8 MET C C 179.386 0.400 1 92 8 8 MET CA C 57.550 0.400 1 93 8 8 MET CB C 32.730 0.400 1 94 8 8 MET CG C 31.440 0.400 1 95 8 8 MET N N 115.257 0.400 1 96 9 9 SER H H 8.462 0.020 1 97 9 9 SER HA H 4.122 0.020 1 98 9 9 SER HB2 H 3.852 0.020 1 99 9 9 SER HB3 H 3.852 0.020 1 100 9 9 SER C C 176.924 0.400 1 101 9 9 SER CA C 61.490 0.400 1 102 9 9 SER CB C 63.200 0.400 1 103 9 9 SER N N 114.631 0.400 1 104 10 10 ALA H H 7.707 0.020 1 105 10 10 ALA HA H 4.088 0.020 1 106 10 10 ALA HB H 1.515 0.020 1 107 10 10 ALA C C 178.373 0.400 1 108 10 10 ALA CA C 54.620 0.400 1 109 10 10 ALA CB C 19.700 0.400 1 110 10 10 ALA N N 122.924 0.400 1 111 11 11 ILE H H 7.279 0.020 1 112 11 11 ILE HA H 3.658 0.020 1 113 11 11 ILE HB H 1.333 0.020 1 114 11 11 ILE HG12 H 0.661 0.020 2 115 11 11 ILE HG13 H 1.568 0.020 2 116 11 11 ILE HG2 H -0.021 0.020 1 117 11 11 ILE HD1 H 0.466 0.020 1 118 11 11 ILE C C 175.505 0.400 1 119 11 11 ILE CA C 63.330 0.400 1 120 11 11 ILE CB C 38.950 0.400 1 121 11 11 ILE CG1 C 28.580 0.400 1 122 11 11 ILE CG2 C 16.810 0.400 1 123 11 11 ILE CD1 C 13.470 0.400 1 124 11 11 ILE N N 115.285 0.400 1 125 12 12 PHE H H 8.471 0.020 1 126 12 12 PHE HA H 4.374 0.020 1 127 12 12 PHE HB2 H 2.883 0.020 2 128 12 12 PHE HB3 H 3.188 0.020 2 129 12 12 PHE HD1 H 7.377 0.020 1 130 12 12 PHE HD2 H 7.377 0.020 1 131 12 12 PHE HE1 H 7.122 0.020 1 132 12 12 PHE HE2 H 7.122 0.020 1 133 12 12 PHE C C 177.420 0.400 1 134 12 12 PHE CA C 58.883 0.400 1 135 12 12 PHE CB C 39.450 0.400 1 136 12 12 PHE CD1 C 131.998 0.400 1 137 12 12 PHE CD2 C 131.998 0.400 1 138 12 12 PHE CE1 C 131.247 0.400 1 139 12 12 PHE CE2 C 131.247 0.400 1 140 12 12 PHE N N 114.000 0.400 1 141 13 13 GLY H H 7.811 0.020 1 142 13 13 GLY HA2 H 3.967 0.020 2 143 13 13 GLY HA3 H 4.180 0.020 2 144 13 13 GLY C C 174.078 0.400 1 145 13 13 GLY CA C 45.740 0.400 1 146 13 13 GLY N N 109.000 0.400 1 147 14 14 ASP H H 8.278 0.020 1 148 14 14 ASP HA H 4.634 0.020 1 149 14 14 ASP HB2 H 2.645 0.020 2 150 14 14 ASP HB3 H 2.697 0.020 2 151 14 14 ASP C C 176.963 0.400 1 152 14 14 ASP CA C 54.660 0.400 1 153 14 14 ASP CB C 41.520 0.400 1 154 14 14 ASP N N 120.600 0.400 1 155 15 15 SER H H 8.312 0.020 1 156 15 15 SER HA H 4.368 0.020 1 157 15 15 SER HB2 H 3.928 0.020 2 158 15 15 SER HB3 H 3.877 0.020 2 159 15 15 SER C C 174.758 0.400 1 160 15 15 SER CA C 59.170 0.400 1 161 15 15 SER CB C 63.750 0.400 1 162 15 15 SER N N 116.400 0.400 1 163 16 16 ALA H H 8.229 0.020 1 164 16 16 ALA HA H 4.235 0.020 1 165 16 16 ALA HB H 1.359 0.020 1 166 16 16 ALA C C 177.527 0.400 1 167 16 16 ALA CA C 52.670 0.400 1 168 16 16 ALA CB C 19.308 0.400 1 169 16 16 ALA N N 125.200 0.400 1 170 17 17 ALA H H 7.995 0.020 1 171 17 17 ALA HA H 4.317 0.020 1 172 17 17 ALA HB H 1.360 0.020 1 173 17 17 ALA C C 177.275 0.400 1 174 17 17 ALA CA C 52.590 0.400 1 175 17 17 ALA CB C 19.260 0.400 1 176 17 17 ALA N N 122.100 0.400 1 177 18 18 ALA H H 7.995 0.020 1 178 18 18 ALA HA H 4.317 0.020 1 179 18 18 ALA HB H 1.360 0.020 1 180 18 18 ALA C C 177.373 0.400 1 181 18 18 ALA CA C 52.590 0.400 1 182 18 18 ALA CB C 19.260 0.400 1 183 18 18 ALA N N 122.100 0.400 1 184 19 19 SER H H 8.163 0.020 1 185 19 19 SER HA H 4.753 0.020 1 186 19 19 SER HB2 H 3.842 0.020 1 187 19 19 SER HB3 H 3.842 0.020 1 188 19 19 SER C C 172.878 0.400 1 189 19 19 SER CA C 56.287 0.400 1 190 19 19 SER CB C 63.506 0.400 1 191 19 19 SER N N 115.900 0.400 1 192 20 20 PRO HA H 4.775 0.020 1 193 20 20 PRO HB2 H 2.187 0.020 2 194 20 20 PRO HB3 H 2.332 0.020 2 195 20 20 PRO HG2 H 1.855 0.020 2 196 20 20 PRO HG3 H 1.963 0.020 2 197 20 20 PRO HD2 H 3.662 0.020 2 198 20 20 PRO HD3 H 3.800 0.020 2 199 20 20 PRO C C 178.195 0.400 1 200 20 20 PRO CA C 62.820 0.400 1 201 20 20 PRO CB C 34.300 0.400 1 202 20 20 PRO CG C 24.700 0.400 1 203 20 20 PRO CD C 50.200 0.400 1 204 21 21 GLY H H 8.591 0.020 1 205 21 21 GLY HA2 H 3.966 0.020 2 206 21 21 GLY HA3 H 4.000 0.020 2 207 21 21 GLY C C 174.756 0.400 1 208 21 21 GLY CA C 45.280 0.400 1 209 21 21 GLY N N 110.952 0.400 1 210 22 22 GLY H H 8.200 0.020 1 211 22 22 GLY HA2 H 3.966 0.020 1 212 22 22 GLY HA3 H 3.966 0.020 1 213 22 22 GLY C C 173.999 0.400 1 214 22 22 GLY CA C 45.280 0.400 1 215 22 22 GLY N N 108.800 0.400 1 216 23 23 ALA H H 8.229 0.020 1 217 23 23 ALA HA H 4.313 0.020 1 218 23 23 ALA HB H 1.419 0.020 1 219 23 23 ALA C C 177.673 0.400 1 220 23 23 ALA CA C 52.593 0.400 1 221 23 23 ALA CB C 19.180 0.400 1 222 23 23 ALA N N 123.700 0.400 1 223 24 24 GLN H H 8.325 0.020 1 224 24 24 GLN HA H 4.319 0.020 1 225 24 24 GLN HB2 H 1.955 0.020 2 226 24 24 GLN HB3 H 2.099 0.020 2 227 24 24 GLN HG2 H 2.367 0.020 1 228 24 24 GLN HG3 H 2.367 0.020 1 229 24 24 GLN C C 175.365 0.400 1 230 24 24 GLN CA C 55.460 0.400 1 231 24 24 GLN CB C 29.650 0.400 1 232 24 24 GLN CG C 33.920 0.400 1 233 24 24 GLN N N 119.300 0.400 1 234 25 25 ALA H H 8.290 0.020 1 235 25 25 ALA HA H 4.566 0.020 1 236 25 25 ALA HB H 1.364 0.020 1 237 25 25 ALA CA C 50.510 0.400 1 238 25 25 ALA CB C 18.306 0.400 1 239 25 25 ALA N N 126.800 0.400 1 240 26 26 PRO HA H 4.428 0.020 1 241 26 26 PRO HB2 H 2.288 0.020 2 242 26 26 PRO HB3 H 1.920 0.020 2 243 26 26 PRO HG2 H 2.033 0.020 1 244 26 26 PRO HG3 H 2.033 0.020 1 245 26 26 PRO HD2 H 3.670 0.020 2 246 26 26 PRO HD3 H 3.800 0.020 2 247 26 26 PRO C C 176.727 0.400 1 248 26 26 PRO CA C 63.079 0.400 1 249 26 26 PRO CB C 32.150 0.400 1 250 26 26 PRO CG C 27.449 0.400 1 251 26 26 PRO CD C 50.583 0.400 1 252 27 27 ALA H H 8.465 0.020 1 253 27 27 ALA HA H 4.373 0.020 1 254 27 27 ALA HB H 1.420 0.020 1 255 27 27 ALA C C 178.129 0.400 1 256 27 27 ALA CA C 52.628 0.400 1 257 27 27 ALA CB C 19.200 0.400 1 258 27 27 ALA N N 124.200 0.400 1 259 28 28 THR H H 8.177 0.020 1 260 28 28 THR HA H 4.433 0.020 1 261 28 28 THR HB H 4.284 0.020 1 262 28 28 THR HG2 H 1.199 0.020 1 263 28 28 THR C C 174.846 0.400 1 264 28 28 THR CA C 61.600 0.400 1 265 28 28 THR CB C 69.919 0.400 1 266 28 28 THR CG2 C 20.470 0.400 1 267 28 28 THR N N 112.900 0.400 1 268 29 29 THR H H 8.149 0.020 1 269 29 29 THR HA H 4.363 0.020 1 270 29 29 THR HB H 4.210 0.020 1 271 29 29 THR HG2 H 1.229 0.020 1 272 29 29 THR C C 175.122 0.400 1 273 29 29 THR CA C 61.741 0.400 1 274 29 29 THR CB C 69.991 0.400 1 275 29 29 THR CG2 C 21.732 0.400 1 276 29 29 THR N N 115.500 0.400 1 277 30 30 GLY H H 8.420 0.020 1 278 30 30 GLY HA2 H 3.979 0.020 1 279 30 30 GLY HA3 H 3.979 0.020 1 280 30 30 GLY C C 173.981 0.400 1 281 30 30 GLY CA C 45.340 0.400 1 282 30 30 GLY N N 111.300 0.400 1 283 31 31 ALA H H 8.196 0.020 1 284 31 31 ALA HA H 4.313 0.020 1 285 31 31 ALA HB H 1.419 0.020 1 286 31 31 ALA C C 177.724 0.400 1 287 31 31 ALA CA C 52.593 0.400 1 288 31 31 ALA CB C 19.190 0.400 1 289 31 31 ALA N N 124.000 0.400 1 290 32 32 ALA H H 8.383 0.020 1 291 32 32 ALA HA H 4.323 0.020 1 292 32 32 ALA HB H 1.420 0.020 1 293 32 32 ALA C C 178.397 0.400 1 294 32 32 ALA CA C 52.930 0.400 1 295 32 32 ALA CB C 19.100 0.400 1 296 32 32 ALA N N 123.300 0.400 1 297 33 33 GLY H H 8.358 0.020 1 298 33 33 GLY HA2 H 3.950 0.020 2 299 33 33 GLY HA3 H 4.020 0.020 2 300 33 33 GLY C C 174.373 0.400 1 301 33 33 GLY CA C 45.392 0.400 1 302 33 33 GLY N N 108.200 0.400 1 303 34 34 THR H H 7.961 0.020 1 304 34 34 THR HA H 4.383 0.020 1 305 34 34 THR HB H 4.211 0.020 1 306 34 34 THR HG2 H 1.196 0.020 1 307 34 34 THR C C 174.097 0.400 1 308 34 34 THR CA C 62.200 0.400 1 309 34 34 THR CB C 70.022 0.400 1 310 34 34 THR CG2 C 21.413 0.400 1 311 34 34 THR N N 113.200 0.400 1 312 35 35 ALA H H 8.340 0.020 1 313 35 35 ALA HA H 4.630 0.020 1 314 35 35 ALA HB H 1.379 0.020 1 315 35 35 ALA C C 175.620 0.400 1 316 35 35 ALA CA C 50.690 0.400 1 317 35 35 ALA CB C 18.375 0.400 1 318 35 35 ALA N N 127.800 0.400 1 319 36 36 PRO HA H 4.501 0.020 1 320 36 36 PRO HB2 H 1.945 0.020 2 321 36 36 PRO HB3 H 2.319 0.020 2 322 36 36 PRO HG2 H 2.033 0.020 2 323 36 36 PRO HG3 H 2.292 0.020 2 324 36 36 PRO HD2 H 3.680 0.020 2 325 36 36 PRO HD3 H 3.801 0.020 2 326 36 36 PRO C C 177.113 0.400 1 327 36 36 PRO CA C 63.324 0.400 1 328 36 36 PRO CB C 32.167 0.400 1 329 36 36 PRO CG C 27.450 0.400 1 330 36 36 PRO CD C 50.600 0.400 1 331 37 37 THR H H 8.134 0.020 1 332 37 37 THR HA H 4.295 0.020 1 333 37 37 THR HB H 4.210 0.020 1 334 37 37 THR HG2 H 1.227 0.020 1 335 37 37 THR C C 174.005 0.400 1 336 37 37 THR CA C 61.727 0.400 1 337 37 37 THR CB C 70.020 0.400 1 338 37 37 THR CG2 C 21.700 0.400 1 339 37 37 THR N N 113.600 0.400 1 340 38 38 ALA H H 8.213 0.020 1 341 38 38 ALA HA H 4.620 0.020 1 342 38 38 ALA HB H 1.360 0.020 1 343 38 38 ALA C C 175.287 0.400 1 344 38 38 ALA CA C 50.420 0.400 1 345 38 38 ALA CB C 18.140 0.400 1 346 38 38 ALA N N 127.700 0.400 1 347 41 41 PRO HA H 4.497 0.020 1 348 41 41 PRO HB2 H 1.900 0.020 2 349 41 41 PRO HB3 H 2.290 0.020 2 350 41 41 PRO HG2 H 2.033 0.020 2 351 41 41 PRO HG3 H 2.292 0.020 2 352 41 41 PRO HD2 H 3.680 0.020 2 353 41 41 PRO HD3 H 3.801 0.020 2 354 41 41 PRO C C 177.018 0.400 1 355 41 41 PRO CA C 63.320 0.400 1 356 41 41 PRO CB C 32.100 0.400 1 357 41 41 PRO CG C 27.450 0.400 1 358 41 41 PRO CD C 50.600 0.400 1 359 42 42 THR H H 8.211 0.020 1 360 42 42 THR HA H 4.295 0.020 1 361 42 42 THR HB H 4.220 0.020 1 362 42 42 THR HG2 H 1.229 0.020 1 363 42 42 THR C C 174.097 0.400 1 364 42 42 THR CA C 61.700 0.400 1 365 42 42 THR CB C 69.690 0.400 1 366 42 42 THR CG2 C 21.730 0.400 1 367 42 42 THR N N 114.500 0.400 1 368 43 43 ALA H H 8.255 0.020 1 369 43 43 ALA HA H 4.342 0.020 1 370 43 43 ALA HB H 1.360 0.020 1 371 43 43 ALA C C 176.844 0.400 1 372 43 43 ALA CA C 52.070 0.400 1 373 43 43 ALA CB C 19.260 0.400 1 374 43 43 ALA N N 126.600 0.400 1 375 44 44 ALA H H 8.307 0.020 1 376 44 44 ALA HA H 4.565 0.020 1 377 44 44 ALA HB H 1.350 0.020 1 378 44 44 ALA C C 175.392 0.400 1 379 44 44 ALA CA C 50.550 0.400 1 380 44 44 ALA CB C 18.140 0.400 1 381 44 44 ALA N N 125.400 0.400 1 382 45 45 PRO HA H 4.431 0.020 1 383 45 45 PRO HB2 H 1.945 0.020 2 384 45 45 PRO HB3 H 2.039 0.020 2 385 45 45 PRO HG2 H 2.033 0.020 2 386 45 45 PRO HG3 H 2.292 0.020 2 387 45 45 PRO HD2 H 3.680 0.020 2 388 45 45 PRO HD3 H 3.801 0.020 2 389 45 45 PRO C C 176.520 0.400 1 390 45 45 PRO CA C 63.080 0.400 1 391 45 45 PRO CB C 32.200 0.400 1 392 45 45 PRO CG C 27.450 0.400 1 393 45 45 PRO CD C 50.600 0.400 1 394 46 46 SER H H 8.372 0.020 1 395 46 46 SER HA H 4.838 0.020 1 396 46 46 SER HB2 H 3.771 0.020 1 397 46 46 SER HB3 H 3.771 0.020 1 398 46 46 SER C C 174.123 0.400 1 399 46 46 SER CA C 58.000 0.400 1 400 46 46 SER CB C 64.480 0.400 1 401 46 46 SER N N 116.100 0.400 1 402 47 47 ILE H H 8.189 0.020 1 403 47 47 ILE HA H 4.371 0.020 1 404 47 47 ILE HB H 1.684 0.020 1 405 47 47 ILE HG12 H 1.406 0.020 2 406 47 47 ILE HG13 H 1.194 0.020 2 407 47 47 ILE HG2 H 0.685 0.020 1 408 47 47 ILE HD1 H 0.732 0.020 1 409 47 47 ILE C C 174.693 0.400 1 410 47 47 ILE CA C 59.170 0.400 1 411 47 47 ILE CB C 40.450 0.400 1 412 47 47 ILE CG1 C 27.350 0.400 1 413 47 47 ILE CG2 C 17.510 0.400 1 414 47 47 ILE CD1 C 12.920 0.400 1 415 47 47 ILE N N 123.200 0.400 1 416 48 48 ASP H H 8.633 0.020 1 417 48 48 ASP HA H 4.810 0.020 1 418 48 48 ASP HB2 H 2.564 0.020 2 419 48 48 ASP HB3 H 2.729 0.020 2 420 48 48 ASP C C 175.995 0.400 1 421 48 48 ASP CA C 54.290 0.400 1 422 48 48 ASP CB C 40.410 0.400 1 423 48 48 ASP N N 127.300 0.400 1 424 49 49 VAL H H 8.125 0.020 1 425 49 49 VAL HA H 3.569 0.020 1 426 49 49 VAL HB H 1.905 0.020 1 427 49 49 VAL HG1 H 0.568 0.020 2 428 49 49 VAL HG2 H 0.821 0.020 2 429 49 49 VAL C C 176.697 0.400 1 430 49 49 VAL CA C 64.850 0.400 1 431 49 49 VAL CB C 32.670 0.400 1 432 49 49 VAL CG1 C 21.900 0.400 1 433 49 49 VAL CG2 C 21.600 0.400 1 434 49 49 VAL N N 124.400 0.400 1 435 50 50 ALA H H 9.424 0.020 1 436 50 50 ALA HA H 4.383 0.020 1 437 50 50 ALA HB H 1.716 0.020 1 438 50 50 ALA C C 175.273 0.400 1 439 50 50 ALA CA C 56.820 0.400 1 440 50 50 ALA CB C 15.900 0.400 1 441 50 50 ALA N N 121.900 0.400 1 442 51 51 PRO HA H 4.428 0.020 1 443 51 51 PRO HB2 H 1.816 0.020 2 444 51 51 PRO HB3 H 2.378 0.020 2 445 51 51 PRO HG2 H 1.994 0.020 2 446 51 51 PRO HG3 H 2.072 0.020 2 447 51 51 PRO HD2 H 3.497 0.020 2 448 51 51 PRO HD3 H 3.600 0.020 2 449 51 51 PRO C C 179.640 0.400 1 450 51 51 PRO CA C 65.860 0.400 1 451 51 51 PRO CB C 31.300 0.400 1 452 51 51 PRO CG C 28.500 0.400 1 453 51 51 PRO CD C 50.160 0.400 1 454 52 52 ILE H H 6.712 0.020 1 455 52 52 ILE HA H 3.583 0.020 1 456 52 52 ILE HB H 1.783 0.020 1 457 52 52 ILE HG12 H 1.029 0.020 2 458 52 52 ILE HG13 H 1.667 0.020 2 459 52 52 ILE HG2 H 0.796 0.020 1 460 52 52 ILE HD1 H 0.821 0.020 1 461 52 52 ILE C C 178.877 0.400 1 462 52 52 ILE CA C 65.328 0.400 1 463 52 52 ILE CB C 38.830 0.400 1 464 52 52 ILE CG1 C 28.420 0.400 1 465 52 52 ILE CG2 C 16.790 0.400 1 466 52 52 ILE CD1 C 14.290 0.400 1 467 52 52 ILE N N 116.700 0.400 1 468 53 53 LEU H H 7.256 0.020 1 469 53 53 LEU HA H 3.654 0.020 1 470 53 53 LEU HB2 H -0.603 0.020 2 471 53 53 LEU HB3 H 0.335 0.020 2 472 53 53 LEU HG H 0.706 0.020 1 473 53 53 LEU HD1 H -0.393 0.020 2 474 53 53 LEU HD2 H 0.253 0.020 2 475 53 53 LEU C C 178.571 0.400 1 476 53 53 LEU CA C 57.270 0.400 1 477 53 53 LEU CB C 38.760 0.400 1 478 53 53 LEU CG C 27.200 0.400 1 479 53 53 LEU CD1 C 24.500 0.400 1 480 53 53 LEU CD2 C 23.290 0.400 1 481 53 53 LEU N N 121.700 0.400 1 482 54 54 ASP H H 9.372 0.020 1 483 54 54 ASP HA H 4.778 0.020 1 484 54 54 ASP HB2 H 2.750 0.020 2 485 54 54 ASP HB3 H 2.812 0.020 2 486 54 54 ASP C C 179.746 0.400 1 487 54 54 ASP CA C 57.860 0.400 1 488 54 54 ASP CB C 39.300 0.400 1 489 54 54 ASP N N 119.200 0.400 1 490 55 55 LYS H H 7.761 0.020 1 491 55 55 LYS HA H 4.101 0.020 1 492 55 55 LYS HB2 H 1.997 0.020 1 493 55 55 LYS HB3 H 1.997 0.020 1 494 55 55 LYS HG2 H 1.423 0.020 2 495 55 55 LYS HG3 H 1.614 0.020 2 496 55 55 LYS HD2 H 1.692 0.020 2 497 55 55 LYS HD3 H 1.744 0.020 2 498 55 55 LYS HE2 H 2.950 0.020 2 499 55 55 LYS HE3 H 3.000 0.020 2 500 55 55 LYS C C 178.703 0.400 1 501 55 55 LYS CA C 59.790 0.400 1 502 55 55 LYS CB C 32.320 0.400 1 503 55 55 LYS CG C 25.310 0.400 1 504 55 55 LYS CD C 29.550 0.400 1 505 55 55 LYS CE C 42.130 0.400 1 506 55 55 LYS N N 121.800 0.400 1 507 56 56 ALA H H 7.492 0.020 1 508 56 56 ALA HA H 4.223 0.020 1 509 56 56 ALA HB H 1.513 0.020 1 510 56 56 ALA C C 180.776 0.400 1 511 56 56 ALA CA C 55.020 0.400 1 512 56 56 ALA CB C 17.200 0.400 1 513 56 56 ALA N N 123.400 0.400 1 514 57 57 VAL H H 8.296 0.020 1 515 57 57 VAL HA H 3.620 0.020 1 516 57 57 VAL HB H 2.514 0.020 1 517 57 57 VAL HG1 H 1.318 0.020 2 518 57 57 VAL HG2 H 1.468 0.020 2 519 57 57 VAL C C 178.727 0.400 1 520 57 57 VAL CA C 67.570 0.400 1 521 57 57 VAL CB C 32.240 0.400 1 522 57 57 VAL CG1 C 22.410 0.400 1 523 57 57 VAL CG2 C 26.920 0.400 1 524 57 57 VAL N N 117.300 0.400 1 525 58 58 LYS H H 8.079 0.020 1 526 58 58 LYS HA H 4.125 0.020 1 527 58 58 LYS HB2 H 1.990 0.020 1 528 58 58 LYS HB3 H 1.990 0.020 1 529 58 58 LYS HG2 H 1.511 0.020 1 530 58 58 LYS HG3 H 1.511 0.020 1 531 58 58 LYS HD2 H 1.747 0.020 1 532 58 58 LYS HD3 H 1.747 0.020 1 533 58 58 LYS HE2 H 3.000 0.020 1 534 58 58 LYS HE3 H 3.000 0.020 1 535 58 58 LYS C C 179.148 0.400 1 536 58 58 LYS CA C 59.370 0.400 1 537 58 58 LYS CB C 32.280 0.400 1 538 58 58 LYS CG C 25.070 0.400 1 539 58 58 LYS CD C 29.380 0.400 1 540 58 58 LYS CE C 42.100 0.400 1 541 58 58 LYS N N 120.900 0.400 1 542 59 59 ALA H H 7.918 0.020 1 543 59 59 ALA HA H 4.207 0.020 1 544 59 59 ALA HB H 1.544 0.020 1 545 59 59 ALA C C 179.446 0.400 1 546 59 59 ALA CA C 54.240 0.400 1 547 59 59 ALA CB C 18.370 0.400 1 548 59 59 ALA N N 120.000 0.400 1 549 60 60 LYS H H 7.697 0.020 1 550 60 60 LYS HA H 4.282 0.020 1 551 60 60 LYS HB2 H 1.976 0.020 2 552 60 60 LYS HB3 H 2.110 0.020 2 553 60 60 LYS HG2 H 1.640 0.020 1 554 60 60 LYS HG3 H 1.640 0.020 1 555 60 60 LYS HD2 H 1.670 0.020 1 556 60 60 LYS HD3 H 1.670 0.020 1 557 60 60 LYS HE2 H 2.974 0.020 1 558 60 60 LYS HE3 H 2.974 0.020 1 559 60 60 LYS C C 178.329 0.400 1 560 60 60 LYS CA C 56.910 0.400 1 561 60 60 LYS CB C 33.130 0.400 1 562 60 60 LYS CG C 25.380 0.400 1 563 60 60 LYS CD C 29.150 0.400 1 564 60 60 LYS N N 116.600 0.400 1 565 61 61 GLY H H 8.035 0.020 1 566 61 61 GLY HA2 H 3.950 0.020 2 567 61 61 GLY HA3 H 3.980 0.020 2 568 61 61 GLY C C 173.719 0.400 1 569 61 61 GLY CA C 46.513 0.400 1 570 61 61 GLY N N 106.300 0.400 1 571 62 62 GLU H H 6.920 0.020 1 572 62 62 GLU HA H 4.575 0.020 1 573 62 62 GLU HB2 H 1.661 0.020 2 574 62 62 GLU HB3 H 1.969 0.020 2 575 62 62 GLU HG2 H 2.135 0.020 1 576 62 62 GLU HG3 H 2.135 0.020 1 577 62 62 GLU C C 175.315 0.400 1 578 62 62 GLU CA C 54.230 0.400 1 579 62 62 GLU CB C 36.040 0.400 1 580 62 62 GLU CG C 33.700 0.400 1 581 62 62 GLU N N 116.300 0.400 1 582 63 63 LYS H H 8.697 0.020 1 583 63 63 LYS HA H 4.298 0.020 1 584 63 63 LYS HB2 H 1.774 0.020 2 585 63 63 LYS HB3 H 1.817 0.020 2 586 63 63 LYS HG2 H 1.299 0.020 2 587 63 63 LYS HG3 H 1.435 0.020 2 588 63 63 LYS HD2 H 1.679 0.020 1 589 63 63 LYS HD3 H 1.679 0.020 1 590 63 63 LYS HE2 H 2.970 0.020 2 591 63 63 LYS HE3 H 3.148 0.020 2 592 63 63 LYS C C 175.461 0.400 1 593 63 63 LYS CA C 56.380 0.400 1 594 63 63 LYS CB C 32.620 0.400 1 595 63 63 LYS CG C 24.710 0.400 1 596 63 63 LYS CD C 28.860 0.400 1 597 63 63 LYS CE C 42.100 0.400 1 598 63 63 LYS N N 123.900 0.400 1 599 64 64 LEU H H 7.461 0.020 1 600 64 64 LEU HA H 4.576 0.020 1 601 64 64 LEU HB2 H 1.240 0.020 2 602 64 64 LEU HB3 H 2.021 0.020 2 603 64 64 LEU HG H 1.540 0.020 1 604 64 64 LEU HD1 H 0.898 0.020 2 605 64 64 LEU HD2 H 0.910 0.020 2 606 64 64 LEU C C 176.327 0.400 1 607 64 64 LEU CA C 53.460 0.400 1 608 64 64 LEU CB C 45.260 0.400 1 609 64 64 LEU CG C 26.658 0.400 1 610 64 64 LEU CD1 C 23.510 0.400 1 611 64 64 LEU CD2 C 25.530 0.400 1 612 64 64 LEU N N 126.800 0.400 1 613 65 65 GLU H H 10.933 0.020 1 614 65 65 GLU HA H 4.620 0.020 1 615 65 65 GLU HB2 H 1.828 0.020 2 616 65 65 GLU HB3 H 1.974 0.020 2 617 65 65 GLU HG2 H 2.107 0.020 2 618 65 65 GLU HG3 H 2.282 0.020 2 619 65 65 GLU C C 176.340 0.400 1 620 65 65 GLU CA C 54.330 0.400 1 621 65 65 GLU CB C 28.660 0.400 1 622 65 65 GLU CG C 35.970 0.400 1 623 65 65 GLU N N 128.541 0.400 1 624 66 66 TRP H H 7.269 0.020 1 625 66 66 TRP HA H 4.439 0.020 1 626 66 66 TRP HB2 H 2.614 0.020 2 627 66 66 TRP HB3 H 3.506 0.020 2 628 66 66 TRP HD1 H 7.275 0.020 1 629 66 66 TRP HE1 H 10.630 0.020 1 630 66 66 TRP HE3 H 7.291 0.020 1 631 66 66 TRP HZ2 H 7.425 0.020 1 632 66 66 TRP HZ3 H 6.711 0.020 1 633 66 66 TRP HH2 H 6.719 0.020 1 634 66 66 TRP C C 177.035 0.400 1 635 66 66 TRP CA C 59.220 0.400 1 636 66 66 TRP CB C 29.000 0.400 1 637 66 66 TRP CD1 C 127.109 0.400 1 638 66 66 TRP CE3 C 121.198 0.400 1 639 66 66 TRP CZ2 C 115.345 0.400 1 640 66 66 TRP CZ3 C 121.654 0.400 1 641 66 66 TRP CH2 C 122.570 0.400 1 642 66 66 TRP N N 121.700 0.400 1 643 66 66 TRP NE1 N 131.900 0.400 1 644 67 67 ARG H H 7.799 0.020 1 645 67 67 ARG HA H 3.385 0.020 1 646 67 67 ARG HB2 H 1.030 0.020 2 647 67 67 ARG HB3 H 1.419 0.020 2 648 67 67 ARG HE H 7.194 0.020 1 649 67 67 ARG C C 176.215 0.400 1 650 67 67 ARG CA C 59.380 0.400 1 651 67 67 ARG CB C 30.095 0.400 1 652 67 67 ARG N N 119.700 0.400 1 653 67 67 ARG NE N 117.300 0.400 1 654 68 68 THR H H 6.915 0.020 1 655 68 68 THR HA H 4.054 0.020 1 656 68 68 THR HB H 4.189 0.020 1 657 68 68 THR HG2 H 0.894 0.020 1 658 68 68 THR C C 173.627 0.400 1 659 68 68 THR CA C 60.380 0.400 1 660 68 68 THR CB C 70.470 0.400 1 661 68 68 THR CG2 C 21.590 0.400 1 662 69 69 SER H H 7.257 0.020 1 663 69 69 SER HA H 4.922 0.020 1 664 69 69 SER HB2 H 3.687 0.020 2 665 69 69 SER HB3 H 3.926 0.020 2 666 69 69 SER C C 175.521 0.400 1 667 69 69 SER CA C 55.360 0.400 1 668 69 69 SER CB C 64.200 0.400 1 669 69 69 SER N N 114.800 0.400 1 670 70 70 ILE H H 9.482 0.020 1 671 70 70 ILE HA H 4.468 0.020 1 672 70 70 ILE HB H 1.945 0.020 1 673 70 70 ILE HG12 H 1.735 0.020 1 674 70 70 ILE HG13 H 1.735 0.020 1 675 70 70 ILE HG2 H 1.185 0.020 1 676 70 70 ILE HD1 H 0.970 0.020 1 677 70 70 ILE C C 175.186 0.400 1 678 70 70 ILE CA C 59.850 0.400 1 679 70 70 ILE CB C 38.324 0.400 1 680 70 70 ILE CG1 C 29.600 0.400 1 681 70 70 ILE CG2 C 20.430 0.400 1 682 70 70 ILE CD1 C 14.320 0.400 1 683 70 70 ILE N N 129.600 0.400 1 684 71 71 VAL H H 7.536 0.020 1 685 71 71 VAL HA H 3.510 0.020 1 686 71 71 VAL HB H 1.863 0.020 1 687 71 71 VAL HG1 H 1.000 0.020 2 688 71 71 VAL HG2 H 1.037 0.020 2 689 71 71 VAL C C 177.082 0.400 1 690 71 71 VAL CA C 67.010 0.400 1 691 71 71 VAL CB C 32.250 0.400 1 692 71 71 VAL CG1 C 20.670 0.400 1 693 71 71 VAL CG2 C 22.780 0.400 1 694 71 71 VAL N N 124.900 0.400 1 695 72 72 ASP H H 7.725 0.020 1 696 72 72 ASP HA H 4.265 0.020 1 697 72 72 ASP HB2 H 2.380 0.020 2 698 72 72 ASP HB3 H 2.482 0.020 2 699 72 72 ASP C C 178.158 0.400 1 700 72 72 ASP CA C 56.780 0.400 1 701 72 72 ASP CB C 39.150 0.400 1 702 72 72 ASP N N 120.400 0.400 1 703 73 73 LEU H H 8.002 0.020 1 704 73 73 LEU HA H 3.972 0.020 1 705 73 73 LEU HB2 H 2.145 0.020 2 706 73 73 LEU HB3 H 2.185 0.020 2 707 73 73 LEU HG H 1.581 0.020 1 708 73 73 LEU HD1 H 0.745 0.020 2 709 73 73 LEU HD2 H 0.868 0.020 2 710 73 73 LEU C C 176.926 0.400 1 711 73 73 LEU CA C 59.860 0.400 1 712 73 73 LEU CB C 42.190 0.400 1 713 73 73 LEU CG C 27.960 0.400 1 714 73 73 LEU CD1 C 25.400 0.400 1 715 73 73 LEU CD2 C 26.990 0.400 1 716 73 73 LEU N N 120.900 0.400 1 717 74 74 MET H H 7.924 0.020 1 718 74 74 MET HA H 3.493 0.020 1 719 74 74 MET HB2 H 1.722 0.020 2 720 74 74 MET HB3 H 3.096 0.020 2 721 74 74 MET HG2 H 2.034 0.020 2 722 74 74 MET HG3 H 2.143 0.020 2 723 74 74 MET HE H 0.950 0.020 1 724 74 74 MET C C 178.115 0.400 1 725 74 74 MET CA C 61.050 0.400 1 726 74 74 MET CB C 34.570 0.400 1 727 74 74 MET CE C 17.175 0.400 1 728 74 74 MET N N 116.800 0.400 1 729 75 75 LYS H H 8.716 0.020 1 730 75 75 LYS HA H 4.100 0.020 1 731 75 75 LYS HB2 H 1.760 0.020 2 732 75 75 LYS HB3 H 1.850 0.020 2 733 75 75 LYS HG2 H 1.427 0.020 2 734 75 75 LYS HG3 H 1.839 0.020 2 735 75 75 LYS HD2 H 1.615 0.020 1 736 75 75 LYS HD3 H 1.615 0.020 1 737 75 75 LYS HE2 H 2.840 0.020 2 738 75 75 LYS HE3 H 2.970 0.020 2 739 75 75 LYS C C 181.131 0.400 1 740 75 75 LYS CA C 60.300 0.400 1 741 75 75 LYS CG C 26.560 0.400 1 742 75 75 LYS CE C 42.000 0.400 1 743 75 75 LYS N N 118.200 0.400 1 744 76 76 ALA H H 8.414 0.020 1 745 76 76 ALA HA H 3.642 0.020 1 746 76 76 ALA HB H 1.408 0.020 1 747 76 76 ALA C C 176.652 0.400 1 748 76 76 ALA CA C 55.210 0.400 1 749 76 76 ALA CB C 17.098 0.400 1 750 76 76 ALA N N 121.614 0.400 1 751 77 77 LEU H H 6.950 0.020 1 752 77 77 LEU HA H 4.256 0.020 1 753 77 77 LEU HB2 H 1.524 0.020 1 754 77 77 LEU HB3 H 1.524 0.020 1 755 77 77 LEU HG H 0.668 0.020 1 756 77 77 LEU HD1 H 0.488 0.020 2 757 77 77 LEU C C 175.284 0.400 1 758 77 77 LEU CA C 53.030 0.400 1 759 77 77 LEU CB C 41.760 0.400 1 760 77 77 LEU CG C 26.670 0.400 1 761 77 77 LEU CD1 C 20.770 0.400 1 762 77 77 LEU N N 113.300 0.400 1 763 78 78 ASP H H 8.130 0.020 1 764 78 78 ASP HA H 4.213 0.020 1 765 78 78 ASP HB2 H 2.732 0.020 2 766 78 78 ASP HB3 H 2.961 0.020 2 767 78 78 ASP C C 174.412 0.400 1 768 78 78 ASP CA C 56.170 0.400 1 769 78 78 ASP CB C 39.140 0.400 1 770 78 78 ASP N N 115.600 0.400 1 771 79 79 ILE H H 8.101 0.020 1 772 79 79 ILE HA H 4.099 0.020 1 773 79 79 ILE HB H 1.443 0.020 1 774 79 79 ILE HG12 H 0.835 0.020 2 775 79 79 ILE HG13 H 0.950 0.020 2 776 79 79 ILE HG2 H 0.634 0.020 1 777 79 79 ILE HD1 H 0.953 0.020 1 778 79 79 ILE C C 175.471 0.400 1 779 79 79 ILE CA C 59.790 0.400 1 780 79 79 ILE CB C 39.990 0.400 1 781 79 79 ILE CG1 C 27.520 0.400 1 782 79 79 ILE CG2 C 15.070 0.400 1 783 79 79 ILE CD1 C 17.190 0.400 1 784 79 79 ILE N N 119.500 0.400 1 785 80 80 ASP H H 8.213 0.020 1 786 80 80 ASP HA H 4.150 0.020 1 787 80 80 ASP HB2 H 2.735 0.020 1 788 80 80 ASP HB3 H 2.735 0.020 1 789 80 80 ASP C C 173.644 0.400 1 790 80 80 ASP CA C 56.120 0.400 1 791 80 80 ASP CB C 41.130 0.400 1 792 80 80 ASP N N 127.500 0.400 1 793 81 81 SER H H 7.715 0.020 1 794 81 81 SER HA H 4.925 0.020 1 795 81 81 SER HB2 H 3.741 0.020 2 796 81 81 SER HB3 H 4.389 0.020 2 797 81 81 SER C C 176.081 0.400 1 798 81 81 SER CA C 56.930 0.400 1 799 81 81 SER CB C 65.470 0.400 1 800 81 81 SER N N 117.100 0.400 1 801 82 82 SER H H 8.464 0.020 1 802 82 82 SER HA H 4.334 0.020 1 803 82 82 SER HB2 H 3.930 0.020 1 804 82 82 SER HB3 H 3.930 0.020 1 805 82 82 SER C C 174.020 0.400 1 806 82 82 SER CA C 58.840 0.400 1 807 82 82 SER N N 120.900 0.400 1 808 83 83 LEU H H 8.936 0.020 1 809 83 83 LEU HA H 3.993 0.020 1 810 83 83 LEU HB2 H 1.660 0.020 2 811 83 83 LEU HB3 H 1.900 0.020 2 812 83 83 LEU HG H 1.557 0.020 1 813 83 83 LEU HD1 H 1.023 0.020 2 814 83 83 LEU HD2 H 1.026 0.020 2 815 83 83 LEU C C 178.619 0.400 1 816 83 83 LEU CA C 58.690 0.400 1 817 83 83 LEU CB C 41.300 0.400 1 818 83 83 LEU CG C 27.160 0.400 1 819 83 83 LEU CD1 C 25.420 0.400 1 820 83 83 LEU CD2 C 22.960 0.400 1 821 83 83 LEU N N 123.500 0.400 1 822 84 84 SER H H 8.433 0.020 1 823 84 84 SER HA H 3.906 0.020 1 824 84 84 SER HB2 H 4.038 0.020 1 825 84 84 SER HB3 H 4.038 0.020 1 826 84 84 SER C C 176.696 0.400 1 827 84 84 SER CA C 62.530 0.400 1 828 84 84 SER CB C 62.280 0.400 1 829 84 84 SER N N 112.400 0.400 1 830 85 85 ALA H H 7.460 0.020 1 831 85 85 ALA HA H 4.095 0.020 1 832 85 85 ALA HB H 1.331 0.020 1 833 85 85 ALA C C 180.052 0.400 1 834 85 85 ALA CA C 55.330 0.400 1 835 85 85 ALA CB C 18.630 0.400 1 836 85 85 ALA N N 126.300 0.400 1 837 86 86 ARG H H 8.308 0.020 1 838 86 86 ARG HA H 3.838 0.020 1 839 86 86 ARG HB2 H 1.598 0.020 1 840 86 86 ARG HB3 H 1.598 0.020 1 841 86 86 ARG HE H 6.908 0.020 1 842 86 86 ARG C C 178.145 0.400 1 843 86 86 ARG CA C 60.950 0.400 1 844 86 86 ARG CB C 30.490 0.400 1 845 86 86 ARG N N 117.200 0.400 1 846 86 86 ARG NE N 119.400 0.400 1 847 87 87 LYS H H 8.784 0.020 1 848 87 87 LYS HA H 4.119 0.020 1 849 87 87 LYS HB2 H 1.827 0.020 2 850 87 87 LYS HB3 H 1.971 0.020 2 851 87 87 LYS HG2 H 1.313 0.020 2 852 87 87 LYS HG3 H 1.777 0.020 2 853 87 87 LYS HD2 H 1.652 0.020 1 854 87 87 LYS HD3 H 1.652 0.020 1 855 87 87 LYS HE2 H 2.780 0.020 2 856 87 87 LYS HE3 H 2.980 0.020 2 857 87 87 LYS C C 179.183 0.400 1 858 87 87 LYS CA C 60.520 0.400 1 859 87 87 LYS CB C 32.910 0.400 1 860 87 87 LYS CG C 27.190 0.400 1 861 87 87 LYS CD C 30.070 0.400 1 862 87 87 LYS CE C 41.910 0.400 1 863 87 87 LYS N N 119.400 0.400 1 864 88 88 GLU H H 7.830 0.020 1 865 88 88 GLU HA H 4.097 0.020 1 866 88 88 GLU HB2 H 2.228 0.020 1 867 88 88 GLU HB3 H 2.228 0.020 1 868 88 88 GLU HG2 H 2.423 0.020 1 869 88 88 GLU HG3 H 2.423 0.020 1 870 88 88 GLU C C 179.452 0.400 1 871 88 88 GLU CA C 59.620 0.400 1 872 88 88 GLU CB C 28.670 0.400 1 873 88 88 GLU CG C 35.880 0.400 1 874 88 88 GLU N N 120.600 0.400 1 875 89 89 LEU H H 8.502 0.020 1 876 89 89 LEU HA H 4.271 0.020 1 877 89 89 LEU HB2 H 1.490 0.020 2 878 89 89 LEU HB3 H 2.220 0.020 2 879 89 89 LEU HG H 0.889 0.020 1 880 89 89 LEU HD1 H 0.754 0.020 2 881 89 89 LEU HD2 H 1.070 0.020 2 882 89 89 LEU C C 177.613 0.400 1 883 89 89 LEU CA C 57.660 0.400 1 884 89 89 LEU CB C 41.160 0.400 1 885 89 89 LEU CG C 26.180 0.400 1 886 89 89 LEU CD1 C 25.590 0.400 1 887 89 89 LEU CD2 C 23.060 0.400 1 888 89 89 LEU N N 122.600 0.400 1 889 90 90 ALA H H 8.825 0.020 1 890 90 90 ALA HA H 4.008 0.020 1 891 90 90 ALA HB H 1.473 0.020 1 892 90 90 ALA C C 179.535 0.400 1 893 90 90 ALA CA C 56.120 0.400 1 894 90 90 ALA CB C 17.520 0.400 1 895 90 90 ALA N N 121.400 0.400 1 896 91 91 LYS H H 8.287 0.020 1 897 91 91 LYS HA H 4.257 0.020 1 898 91 91 LYS HB2 H 2.032 0.020 1 899 91 91 LYS HB3 H 2.032 0.020 1 900 91 91 LYS HG2 H 1.469 0.020 2 901 91 91 LYS HG3 H 1.691 0.020 2 902 91 91 LYS HD2 H 1.689 0.020 2 903 91 91 LYS HD3 H 1.710 0.020 2 904 91 91 LYS HE2 H 2.968 0.020 1 905 91 91 LYS HE3 H 2.968 0.020 1 906 91 91 LYS C C 180.891 0.400 1 907 91 91 LYS CA C 59.500 0.400 1 908 91 91 LYS CG C 25.140 0.400 1 909 91 91 LYS CD C 29.340 0.400 1 910 91 91 LYS CE C 41.980 0.400 1 911 91 91 LYS N N 119.500 0.400 1 912 92 92 GLU H H 8.531 0.020 1 913 92 92 GLU HA H 4.033 0.020 1 914 92 92 GLU HB2 H 2.237 0.020 2 915 92 92 GLU HB3 H 2.455 0.020 2 916 92 92 GLU HG2 H 2.649 0.020 1 917 92 92 GLU HG3 H 2.649 0.020 1 918 92 92 GLU C C 178.902 0.400 1 919 92 92 GLU CA C 59.630 0.400 1 920 92 92 GLU CB C 29.640 0.400 1 921 92 92 GLU CG C 36.090 0.400 1 922 92 92 GLU N N 122.500 0.400 1 923 93 93 LEU H H 7.979 0.020 1 924 93 93 LEU HA H 4.335 0.020 1 925 93 93 LEU HB2 H 1.848 0.020 2 926 93 93 LEU HB3 H 2.059 0.020 2 927 93 93 LEU HG H 1.843 0.020 1 928 93 93 LEU HD1 H 0.346 0.020 2 929 93 93 LEU HD2 H 0.663 0.020 2 930 93 93 LEU C C 177.144 0.400 1 931 93 93 LEU CA C 54.760 0.400 1 932 93 93 LEU CB C 42.680 0.400 1 933 93 93 LEU CG C 26.590 0.400 1 934 93 93 LEU CD1 C 21.520 0.400 1 935 93 93 LEU CD2 C 26.060 0.400 1 936 93 93 LEU N N 115.000 0.400 1 937 94 94 GLY H H 7.957 0.020 1 938 94 94 GLY HA2 H 4.159 0.020 2 939 94 94 GLY HA3 H 3.902 0.020 2 940 94 94 GLY C C 174.898 0.400 1 941 94 94 GLY CA C 46.300 0.400 1 942 94 94 GLY N N 108.800 0.400 1 943 95 95 TYR H H 8.355 0.020 1 944 95 95 TYR HA H 3.350 0.020 1 945 95 95 TYR HB2 H 2.137 0.020 2 946 95 95 TYR HB3 H 2.454 0.020 2 947 95 95 TYR HD1 H 6.966 0.020 1 948 95 95 TYR HD2 H 6.966 0.020 1 949 95 95 TYR HE1 H 6.750 0.020 1 950 95 95 TYR HE2 H 6.750 0.020 1 951 95 95 TYR C C 176.497 0.400 1 952 95 95 TYR CA C 58.490 0.400 1 953 95 95 TYR CB C 39.240 0.400 1 954 95 95 TYR N N 121.700 0.400 1 955 97 97 GLY HA2 H 2.776 0.020 2 956 97 97 GLY HA3 H 3.923 0.020 2 957 97 97 GLY C C 171.457 0.400 1 958 97 97 GLY CA C 44.080 0.400 1 959 98 98 ASP H H 8.232 0.020 1 960 98 98 ASP HA H 4.475 0.020 1 961 98 98 ASP HB2 H 2.653 0.020 2 962 98 98 ASP HB3 H 2.910 0.020 2 963 98 98 ASP C C 179.314 0.400 1 964 98 98 ASP CA C 53.850 0.400 1 965 98 98 ASP CB C 41.200 0.400 1 966 98 98 ASP N N 117.200 0.400 1 967 99 99 MET H H 9.224 0.020 1 968 99 99 MET HA H 4.429 0.020 1 969 99 99 MET HB2 H 2.091 0.020 1 970 99 99 MET HB3 H 2.091 0.020 1 971 99 99 MET HG2 H 2.080 0.020 1 972 99 99 MET HG3 H 2.080 0.020 1 973 99 99 MET C C 175.441 0.400 1 974 99 99 MET CA C 57.110 0.400 1 975 99 99 MET CG C 31.960 0.400 1 976 99 99 MET N N 129.400 0.400 1 977 100 100 ASN H H 8.638 0.020 1 978 100 100 ASN HA H 4.764 0.020 1 979 100 100 ASN HB2 H 2.874 0.020 1 980 100 100 ASN HB3 H 2.874 0.020 1 981 100 100 ASN HD21 H 7.017 0.020 2 982 100 100 ASN HD22 H 7.986 0.020 2 983 100 100 ASN C C 175.385 0.400 1 984 100 100 ASN CA C 53.620 0.400 1 985 100 100 ASN CB C 38.910 0.400 1 986 100 100 ASN N N 114.100 0.400 1 987 100 100 ASN ND2 N 115.600 0.400 1 988 101 101 ASP H H 7.322 0.020 1 989 101 101 ASP HA H 4.929 0.020 1 990 101 101 ASP HB2 H 3.011 0.020 2 991 101 101 ASP HB3 H 3.142 0.020 2 992 101 101 ASP C C 174.335 0.400 1 993 101 101 ASP CA C 51.870 0.400 1 994 101 101 ASP CB C 39.450 0.400 1 995 101 101 ASP N N 119.800 0.400 1 996 102 102 SER H H 8.182 0.020 1 997 102 102 SER HA H 3.944 0.020 1 998 102 102 SER HB2 H 3.917 0.020 1 999 102 102 SER HB3 H 3.917 0.020 1 1000 102 102 SER C C 175.410 0.400 1 1001 102 102 SER CA C 61.810 0.400 1 1002 102 102 SER CB C 62.800 0.400 1 1003 102 102 SER N N 119.900 0.400 1 1004 103 103 ALA H H 8.436 0.020 1 1005 103 103 ALA HA H 4.268 0.020 1 1006 103 103 ALA HB H 1.565 0.020 1 1007 103 103 ALA C C 181.049 0.400 1 1008 103 103 ALA CA C 55.750 0.400 1 1009 103 103 ALA CB C 18.150 0.400 1 1010 103 103 ALA N N 124.000 0.400 1 1011 104 104 SER H H 7.723 0.020 1 1012 104 104 SER HA H 4.321 0.020 1 1013 104 104 SER HB2 H 3.900 0.020 1 1014 104 104 SER HB3 H 3.900 0.020 1 1015 104 104 SER C C 177.521 0.400 1 1016 104 104 SER CA C 61.440 0.400 1 1017 104 104 SER N N 113.400 0.400 1 1018 105 105 MET H H 8.204 0.020 1 1019 105 105 MET HA H 3.689 0.020 1 1020 105 105 MET HB2 H 1.921 0.020 2 1021 105 105 MET HB3 H 2.125 0.020 2 1022 105 105 MET HG2 H 1.975 0.020 1 1023 105 105 MET HG3 H 1.975 0.020 1 1024 105 105 MET C C 177.542 0.400 1 1025 105 105 MET CA C 59.540 0.400 1 1026 105 105 MET N N 124.200 0.400 1 1027 106 106 ASN H H 8.904 0.020 1 1028 106 106 ASN HA H 4.535 0.020 1 1029 106 106 ASN HB2 H 3.084 0.020 1 1030 106 106 ASN HB3 H 3.084 0.020 1 1031 106 106 ASN C C 179.548 0.400 1 1032 106 106 ASN CA C 58.120 0.400 1 1033 106 106 ASN CB C 37.500 0.400 1 1034 106 106 ASN N N 118.300 0.400 1 1035 107 107 ILE H H 7.598 0.020 1 1036 107 107 ILE HA H 3.904 0.020 1 1037 107 107 ILE HB H 2.037 0.020 1 1038 107 107 ILE HG12 H 1.329 0.020 2 1039 107 107 ILE HG13 H 1.880 0.020 2 1040 107 107 ILE HG2 H 1.115 0.020 1 1041 107 107 ILE HD1 H 0.991 0.020 1 1042 107 107 ILE C C 177.858 0.400 1 1043 107 107 ILE CA C 65.330 0.400 1 1044 107 107 ILE CB C 39.050 0.400 1 1045 107 107 ILE CG1 C 29.430 0.400 1 1046 107 107 ILE CG2 C 17.150 0.400 1 1047 107 107 ILE CD1 C 13.260 0.400 1 1048 107 107 ILE N N 122.700 0.400 1 1049 108 108 TRP H H 7.902 0.020 1 1050 108 108 TRP HA H 4.168 0.020 1 1051 108 108 TRP HB2 H 3.338 0.020 2 1052 108 108 TRP HB3 H 3.480 0.020 2 1053 108 108 TRP HD1 H 7.596 0.020 1 1054 108 108 TRP HE1 H 10.452 0.020 1 1055 108 108 TRP HE3 H 7.270 0.020 1 1056 108 108 TRP HZ2 H 7.544 0.020 1 1057 108 108 TRP HZ3 H 6.874 0.020 1 1058 108 108 TRP HH2 H 7.026 0.020 1 1059 108 108 TRP C C 178.596 0.400 1 1060 108 108 TRP CA C 62.630 0.400 1 1061 108 108 TRP CB C 29.340 0.400 1 1062 108 108 TRP CD1 C 128.300 0.400 1 1063 108 108 TRP CZ2 C 115.500 0.400 1 1064 108 108 TRP N N 122.200 0.400 1 1065 108 108 TRP NE1 N 130.800 0.400 1 1066 109 109 LEU H H 9.372 0.020 1 1067 109 109 LEU HA H 3.812 0.020 1 1068 109 109 LEU HB2 H 1.245 0.020 2 1069 109 109 LEU HB3 H 2.356 0.020 2 1070 109 109 LEU HG H 1.060 0.020 1 1071 109 109 LEU HD1 H 1.011 0.020 2 1072 109 109 LEU HD2 H 1.011 0.020 2 1073 109 109 LEU C C 178.254 0.400 1 1074 109 109 LEU CA C 57.920 0.400 1 1075 109 109 LEU CB C 44.850 0.400 1 1076 109 109 LEU CG C 26.170 0.400 1 1077 109 109 LEU CD1 C 23.460 0.400 1 1078 109 109 LEU CD2 C 23.460 0.400 1 1079 109 109 LEU N N 117.000 0.400 1 1080 110 110 HIS H H 7.922 0.020 1 1081 110 110 HIS HA H 3.781 0.020 1 1082 110 110 HIS HB2 H 3.152 0.020 2 1083 110 110 HIS HB3 H 3.281 0.020 2 1084 110 110 HIS HD2 H 6.392 0.020 1 1085 110 110 HIS C C 176.530 0.400 1 1086 110 110 HIS CA C 63.660 0.400 1 1087 110 110 HIS CB C 31.750 0.400 1 1088 110 110 HIS CD2 C 115.057 0.400 1 1089 110 110 HIS N N 117.700 0.400 1 1090 111 111 LYS H H 7.578 0.020 1 1091 111 111 LYS HA H 3.969 0.020 1 1092 111 111 LYS HB2 H 1.857 0.020 1 1093 111 111 LYS HB3 H 1.857 0.020 1 1094 111 111 LYS HG2 H 1.424 0.020 2 1095 111 111 LYS HG3 H 1.500 0.020 2 1096 111 111 LYS HD2 H 1.687 0.020 1 1097 111 111 LYS HD3 H 1.687 0.020 1 1098 111 111 LYS HE2 H 2.964 0.020 1 1099 111 111 LYS HE3 H 2.964 0.020 1 1100 111 111 LYS C C 179.356 0.400 1 1101 111 111 LYS CA C 59.860 0.400 1 1102 111 111 LYS CB C 32.490 0.400 1 1103 111 111 LYS CG C 25.450 0.400 1 1104 111 111 LYS CD C 29.680 0.400 1 1105 111 111 LYS CE C 42.050 0.400 1 1106 111 111 LYS N N 116.500 0.400 1 1107 112 112 GLN H H 8.375 0.020 1 1108 112 112 GLN HA H 3.713 0.020 1 1109 112 112 GLN HB2 H 1.060 0.020 2 1110 112 112 GLN HB3 H 1.445 0.020 2 1111 112 112 GLN HG3 H 1.412 0.020 2 1112 112 112 GLN HE21 H 6.505 0.020 2 1113 112 112 GLN HE22 H 6.830 0.020 2 1114 112 112 GLN C C 179.206 0.400 1 1115 112 112 GLN CA C 57.910 0.400 1 1116 112 112 GLN CB C 27.780 0.400 1 1117 112 112 GLN CG C 31.960 0.400 1 1118 112 112 GLN N N 118.200 0.400 1 1119 112 112 GLN NE2 N 111.696 0.400 1 1120 113 113 VAL H H 8.600 0.020 1 1121 113 113 VAL HA H 3.445 0.020 1 1122 113 113 VAL HB H 2.053 0.020 1 1123 113 113 VAL HG1 H 0.821 0.020 2 1124 113 113 VAL HG2 H 1.053 0.020 2 1125 113 113 VAL C C 177.635 0.400 1 1126 113 113 VAL CA C 67.810 0.400 1 1127 113 113 VAL CB C 31.130 0.400 1 1128 113 113 VAL CG1 C 21.330 0.400 1 1129 113 113 VAL CG2 C 24.520 0.400 1 1130 113 113 VAL N N 119.400 0.400 1 1131 114 114 MET H H 8.218 0.020 1 1132 114 114 MET HA H 4.319 0.020 1 1133 114 114 MET HB2 H 1.590 0.020 2 1134 114 114 MET HB3 H 2.307 0.020 2 1135 114 114 MET C C 178.523 0.400 1 1136 114 114 MET CA C 57.590 0.400 1 1137 114 114 MET CB C 32.070 0.400 1 1138 114 114 MET N N 117.300 0.400 1 1139 115 115 SER H H 8.244 0.020 1 1140 115 115 SER HA H 4.010 0.020 1 1141 115 115 SER HB2 H 4.003 0.020 1 1142 115 115 SER HB3 H 4.003 0.020 1 1143 115 115 SER C C 177.856 0.400 1 1144 115 115 SER CA C 62.000 0.400 1 1145 115 115 SER CB C 63.000 0.400 1 1146 115 115 SER N N 113.700 0.400 1 1147 116 116 LYS H H 8.252 0.020 1 1148 116 116 LYS HA H 4.154 0.020 1 1149 116 116 LYS HB2 H 1.835 0.020 2 1150 116 116 LYS HB3 H 2.093 0.020 2 1151 116 116 LYS HG2 H 1.335 0.020 1 1152 116 116 LYS HG3 H 1.335 0.020 1 1153 116 116 LYS HD2 H 1.973 0.020 2 1154 116 116 LYS HD3 H 2.096 0.020 2 1155 116 116 LYS HE2 H 2.633 0.020 2 1156 116 116 LYS HE3 H 2.942 0.020 2 1157 116 116 LYS C C 179.790 0.400 1 1158 116 116 LYS CA C 56.580 0.400 1 1159 116 116 LYS CB C 32.470 0.400 1 1160 116 116 LYS CD C 29.100 0.400 1 1161 116 116 LYS CE C 41.920 0.400 1 1162 116 116 LYS N N 122.300 0.400 1 1163 117 117 LEU H H 8.651 0.020 1 1164 117 117 LEU HA H 4.252 0.020 1 1165 117 117 LEU HB2 H 1.236 0.020 2 1166 117 117 LEU HB3 H 2.369 0.020 2 1167 117 117 LEU HG H 0.780 0.020 1 1168 117 117 LEU HD1 H 0.772 0.020 2 1169 117 117 LEU HD2 H 0.816 0.020 2 1170 117 117 LEU C C 180.339 0.400 1 1171 117 117 LEU CA C 59.020 0.400 1 1172 117 117 LEU CB C 41.800 0.400 1 1173 117 117 LEU CD1 C 25.620 0.400 1 1174 117 117 LEU CD2 C 23.860 0.400 1 1175 117 117 LEU N N 121.000 0.400 1 1176 118 118 VAL H H 7.857 0.020 1 1177 118 118 VAL HA H 4.370 0.020 1 1178 118 118 VAL HB H 2.152 0.020 1 1179 118 118 VAL HG1 H 0.979 0.020 2 1180 118 118 VAL HG2 H 1.021 0.020 2 1181 118 118 VAL C C 180.264 0.400 1 1182 118 118 VAL CA C 65.090 0.400 1 1183 118 118 VAL CB C 31.970 0.400 1 1184 118 118 VAL CG1 C 22.740 0.400 1 1185 118 118 VAL CG2 C 21.160 0.400 1 1186 118 118 VAL N N 120.400 0.400 1 1187 119 119 ALA H H 8.118 0.020 1 1188 119 119 ALA HA H 4.246 0.020 1 1189 119 119 ALA HB H 1.551 0.020 1 1190 119 119 ALA C C 178.194 0.400 1 1191 119 119 ALA CB C 18.820 0.400 1 1192 119 119 ALA N N 123.100 0.400 1 1193 120 120 ASN H H 7.434 0.020 1 1194 120 120 ASN HA H 4.726 0.020 1 1195 120 120 ASN HB2 H 2.421 0.020 2 1196 120 120 ASN HB3 H 2.505 0.020 2 1197 120 120 ASN HD21 H 6.646 0.020 2 1198 120 120 ASN HD22 H 7.208 0.020 2 1199 120 120 ASN C C 173.586 0.400 1 1200 120 120 ASN CA C 53.230 0.400 1 1201 120 120 ASN CB C 40.430 0.400 1 1202 120 120 ASN N N 114.500 0.400 1 1203 120 120 ASN ND2 N 112.905 0.400 1 1204 121 121 GLY H H 7.801 0.020 1 1205 121 121 GLY HA2 H 4.410 0.020 2 1206 121 121 GLY HA3 H 3.763 0.020 2 1207 121 121 GLY C C 174.561 0.400 1 1208 121 121 GLY CA C 45.650 0.400 1 1209 121 121 GLY N N 105.300 0.400 1 1210 122 122 GLY H H 8.840 0.020 1 1211 122 122 GLY HA2 H 3.060 0.020 2 1212 122 122 GLY HA3 H 4.712 0.020 2 1213 122 122 GLY C C 171.890 0.400 1 1214 122 122 GLY CA C 44.850 0.400 1 1215 122 122 GLY N N 109.400 0.400 1 1216 123 123 LYS H H 8.895 0.020 1 1217 123 123 LYS HA H 4.705 0.020 1 1218 123 123 LYS HB2 H 1.757 0.020 2 1219 123 123 LYS HB3 H 1.839 0.020 2 1220 123 123 LYS HG2 H 1.343 0.020 2 1221 123 123 LYS HG3 H 1.440 0.020 2 1222 123 123 LYS HD2 H 1.665 0.020 1 1223 123 123 LYS HD3 H 1.665 0.020 1 1224 123 123 LYS HE2 H 2.965 0.020 1 1225 123 123 LYS HE3 H 2.965 0.020 1 1226 123 123 LYS C C 176.310 0.400 1 1227 123 123 LYS CA C 54.940 0.400 1 1228 123 123 LYS CB C 33.920 0.400 1 1229 123 123 LYS CG C 24.632 0.400 1 1230 123 123 LYS CD C 29.200 0.400 1 1231 123 123 LYS CE C 41.740 0.400 1 1232 123 123 LYS N N 123.200 0.400 1 1233 124 124 LEU H H 8.905 0.020 1 1234 124 124 LEU HA H 4.875 0.020 1 1235 124 124 LEU HB2 H 1.509 0.020 2 1236 124 124 LEU HB3 H 1.655 0.020 2 1237 124 124 LEU HG H 0.870 0.020 1 1238 124 124 LEU HD1 H 0.955 0.020 2 1239 124 124 LEU HD2 H 0.955 0.020 2 1240 124 124 LEU C C 174.221 0.400 1 1241 124 124 LEU CA C 51.810 0.400 1 1242 124 124 LEU CB C 42.980 0.400 1 1243 124 124 LEU N N 126.800 0.400 1 1244 125 125 PRO HD2 H 3.722 0.020 1 1245 125 125 PRO HD3 H 3.722 0.020 1 1246 126 126 PRO HA H 4.390 0.020 1 1247 126 126 PRO HB2 H 1.996 0.020 2 1248 126 126 PRO HB3 H 2.379 0.020 2 1249 126 126 PRO HG2 H 2.103 0.020 1 1250 126 126 PRO HG3 H 2.103 0.020 1 1251 126 126 PRO HD2 H 3.827 0.020 1 1252 126 126 PRO HD3 H 3.827 0.020 1 1253 126 126 PRO C C 177.230 0.400 1 1254 126 126 PRO CA C 64.370 0.400 1 1255 126 126 PRO CB C 32.100 0.400 1 1256 126 126 PRO CG C 27.490 0.400 1 1257 126 126 PRO CD C 50.680 0.400 1 1258 127 127 GLU H H 9.313 0.020 1 1259 127 127 GLU HA H 4.190 0.020 1 1260 127 127 GLU HB2 H 2.095 0.020 2 1261 127 127 GLU HB3 H 2.283 0.020 2 1262 127 127 GLU HG2 H 2.037 0.020 1 1263 127 127 GLU HG3 H 2.037 0.020 1 1264 127 127 GLU C C 176.800 0.400 1 1265 127 127 GLU CA C 57.840 0.400 1 1266 127 127 GLU CB C 35.950 0.400 1 1267 127 127 GLU N N 116.700 0.400 1 1268 128 128 ILE H H 7.518 0.020 1 1269 128 128 ILE HA H 4.160 0.020 1 1270 128 128 ILE HB H 1.997 0.020 1 1271 128 128 ILE HG12 H 1.370 0.020 2 1272 128 128 ILE HG13 H 1.517 0.020 2 1273 128 128 ILE HG2 H 1.029 0.020 1 1274 128 128 ILE HD1 H 1.005 0.020 1 1275 128 128 ILE C C 175.272 0.400 1 1276 128 128 ILE CA C 60.940 0.400 1 1277 128 128 ILE CB C 37.440 0.400 1 1278 128 128 ILE CG1 C 27.700 0.400 1 1279 128 128 ILE CG2 C 17.540 0.400 1 1280 128 128 ILE CD1 C 13.950 0.400 1 1281 128 128 ILE N N 120.800 0.400 1 1282 129 129 LYS H H 8.430 0.020 1 1283 129 129 LYS HA H 4.336 0.020 1 1284 129 129 LYS HB2 H 1.721 0.020 2 1285 129 129 LYS HB3 H 1.854 0.020 2 1286 129 129 LYS HG2 H 1.425 0.020 1 1287 129 129 LYS HG3 H 1.425 0.020 1 1288 129 129 LYS HD2 H 1.583 0.020 1 1289 129 129 LYS HD3 H 1.583 0.020 1 1290 129 129 LYS HE2 H 3.150 0.020 1 1291 129 129 LYS HE3 H 3.150 0.020 1 1292 129 129 LYS C C 175.203 0.400 1 1293 129 129 LYS CA C 56.260 0.400 1 1294 129 129 LYS CB C 30.810 0.400 1 1295 129 129 LYS CD C 27.170 0.400 1 1296 129 129 LYS CE C 43.380 0.400 1 1297 129 129 LYS N N 128.600 0.400 1 1298 130 130 HIS H H 7.999 0.020 1 1299 130 130 HIS HA H 4.453 0.020 1 1300 130 130 HIS HB2 H 3.000 0.020 2 1301 130 130 HIS HB3 H 3.050 0.020 2 1302 130 130 HIS HE1 H 6.962 0.020 1 1303 130 130 HIS C C 178.584 0.400 1 1304 130 130 HIS CA C 56.830 0.400 1 1305 130 130 HIS CB C 30.320 0.400 1 1306 130 130 HIS N N 125.300 0.400 1 stop_ save_