data_30397 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Zika virus capsid protein ; _BMRB_accession_number 30397 _BMRB_flat_file_name bmr30397.str _Entry_type original _Submission_date 2018-01-11 _Accession_date 2018-01-11 _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 Morando M. A. . 2 Barbosa G. M. . 3 Cruz-Oliveira C. . . 4 'Da Poian' A. T. . 5 Almeida F. C.L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 614 "13C chemical shifts" 459 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-11 original BMRB . stop_ _Original_release_date 2018-04-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Zika virus capsid protein ; _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 Morando M. A. . 2 Barbosa G. M. . 3 Cruz-Oliveira C. . . 4 'Da Poian' A. T. . 5 Almeida F. C.L. . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Capsid protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, chain 1' $entity_1 'entity_1, chain 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11676.451 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MKNPKKKSGGFRIVNMLKRG VARVSPFGGLKRLPAGLLLG HGPIRMVLAILAFLRFTAIK PSLGLINRWGSVGKKEAMEI IKKFKKDLAAMLRIINARKE KKRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ASN 4 PRO 5 LYS 6 LYS 7 LYS 8 SER 9 GLY 10 GLY 11 PHE 12 ARG 13 ILE 14 VAL 15 ASN 16 MET 17 LEU 18 LYS 19 ARG 20 GLY 21 VAL 22 ALA 23 ARG 24 VAL 25 SER 26 PRO 27 PHE 28 GLY 29 GLY 30 LEU 31 LYS 32 ARG 33 LEU 34 PRO 35 ALA 36 GLY 37 LEU 38 LEU 39 LEU 40 GLY 41 HIS 42 GLY 43 PRO 44 ILE 45 ARG 46 MET 47 VAL 48 LEU 49 ALA 50 ILE 51 LEU 52 ALA 53 PHE 54 LEU 55 ARG 56 PHE 57 THR 58 ALA 59 ILE 60 LYS 61 PRO 62 SER 63 LEU 64 GLY 65 LEU 66 ILE 67 ASN 68 ARG 69 TRP 70 GLY 71 SER 72 VAL 73 GLY 74 LYS 75 LYS 76 GLU 77 ALA 78 MET 79 GLU 80 ILE 81 ILE 82 LYS 83 LYS 84 PHE 85 LYS 86 LYS 87 ASP 88 LEU 89 ALA 90 ALA 91 MET 92 LEU 93 ARG 94 ILE 95 ILE 96 ASN 97 ALA 98 ARG 99 LYS 100 GLU 101 LYS 102 LYS 103 ARG 104 ARG 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 _Strain $entity_1 ZIKV 64320 Viruses . Flavivirus ZIKV 'Mr 766' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3)pLysS plasmid pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIIIHD _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2323 . M pH 6.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, chain 1' _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 HA H 4.330 0.004 1 2 1 1 MET HB2 H 1.822 0.001 1 3 1 1 MET HB3 H 1.822 0.001 1 4 1 1 MET HG2 H 1.648 0.001 1 5 1 1 MET HG3 H 1.648 0.001 1 6 1 1 MET HE H 1.756 0.001 1 7 1 1 MET C C 175.530 0.000 1 8 1 1 MET CA C 57.870 0.006 1 9 1 1 MET CB C 32.540 0.000 1 10 1 1 MET CG C 29.485 0.006 1 11 1 1 MET CE C 16.212 0.019 1 12 2 2 LYS H H 8.169 0.001 1 13 2 2 LYS HA H 4.416 0.002 1 14 2 2 LYS HB2 H 1.831 0.001 1 15 2 2 LYS HB3 H 1.831 0.001 1 16 2 2 LYS HG2 H 1.481 0.000 1 17 2 2 LYS HG3 H 1.481 0.000 1 18 2 2 LYS HD2 H 1.726 0.000 1 19 2 2 LYS HD3 H 1.726 0.000 1 20 2 2 LYS HE2 H 3.050 0.001 1 21 2 2 LYS HE3 H 3.050 0.001 1 22 2 2 LYS C C 175.608 0.000 1 23 2 2 LYS CA C 56.489 0.001 1 24 2 2 LYS CB C 32.842 0.002 1 25 2 2 LYS CG C 24.901 0.002 1 26 2 2 LYS CD C 29.329 0.002 1 27 2 2 LYS CE C 42.140 0.002 1 28 2 2 LYS N N 122.667 0.002 1 29 3 3 ASN H H 8.583 0.003 1 30 3 3 ASN HA H 5.019 0.002 1 31 3 3 ASN HB2 H 2.880 0.002 2 32 3 3 ASN HB3 H 2.745 0.000 2 33 3 3 ASN C C 173.334 0.000 1 34 3 3 ASN CA C 51.363 0.063 1 35 3 3 ASN CB C 39.156 0.025 1 36 3 3 ASN N N 121.313 0.005 1 37 4 4 PRO HA H 4.495 0.003 1 38 4 4 PRO HB2 H 2.347 0.006 2 39 4 4 PRO HB3 H 1.988 0.009 2 40 4 4 PRO HG2 H 2.068 0.010 1 41 4 4 PRO HG3 H 2.068 0.010 1 42 4 4 PRO HD2 H 3.841 0.015 2 43 4 4 PRO HD3 H 3.808 0.010 2 44 4 4 PRO C C 176.843 0.000 1 45 4 4 PRO CA C 63.475 0.002 1 46 4 4 PRO CB C 32.089 0.167 1 47 4 4 PRO CG C 27.413 0.134 1 48 4 4 PRO CD C 50.830 0.028 1 49 5 5 LYS H H 8.257 0.002 1 50 5 5 LYS HA H 4.330 0.000 1 51 5 5 LYS HB2 H 1.843 0.000 1 52 5 5 LYS HB3 H 1.843 0.000 1 53 5 5 LYS HG2 H 1.481 0.000 1 54 5 5 LYS HG3 H 1.481 0.000 1 55 5 5 LYS HD2 H 1.738 0.001 1 56 5 5 LYS HD3 H 1.738 0.001 1 57 5 5 LYS HE2 H 3.053 0.000 1 58 5 5 LYS HE3 H 3.053 0.000 1 59 5 5 LYS C C 176.612 0.000 1 60 5 5 LYS CA C 56.401 0.032 1 61 5 5 LYS CB C 32.527 0.009 1 62 5 5 LYS CG C 24.629 0.001 1 63 5 5 LYS CD C 29.031 0.001 1 64 5 5 LYS CE C 42.318 0.002 1 65 5 5 LYS N N 120.812 0.015 1 66 6 6 LYS H H 8.151 0.001 1 67 6 6 LYS HA H 4.329 0.001 1 68 6 6 LYS HB2 H 1.839 0.000 1 69 6 6 LYS HB3 H 1.839 0.000 1 70 6 6 LYS HG2 H 1.480 0.000 1 71 6 6 LYS HG3 H 1.480 0.000 1 72 6 6 LYS HD2 H 1.738 0.000 1 73 6 6 LYS HD3 H 1.738 0.000 1 74 6 6 LYS HE2 H 3.053 0.000 1 75 6 6 LYS HE3 H 3.053 0.000 1 76 6 6 LYS C C 176.599 0.000 1 77 6 6 LYS CA C 56.380 0.000 1 78 6 6 LYS CB C 32.537 0.004 1 79 6 6 LYS CG C 24.898 0.002 1 80 6 6 LYS CD C 29.292 0.002 1 81 6 6 LYS CE C 42.318 0.002 1 82 6 6 LYS N N 122.491 0.000 1 83 7 7 LYS H H 8.152 0.001 1 84 7 7 LYS HA H 4.392 0.001 1 85 7 7 LYS HB2 H 1.854 0.003 1 86 7 7 LYS HB3 H 1.854 0.003 1 87 7 7 LYS HG2 H 1.483 0.000 1 88 7 7 LYS HG3 H 1.483 0.000 1 89 7 7 LYS HD2 H 1.731 0.000 1 90 7 7 LYS HD3 H 1.731 0.000 1 91 7 7 LYS HE2 H 3.053 0.000 1 92 7 7 LYS HE3 H 3.053 0.000 1 93 7 7 LYS C C 176.582 0.000 1 94 7 7 LYS CA C 56.497 0.000 1 95 7 7 LYS CB C 32.771 0.001 1 96 7 7 LYS CG C 24.571 0.001 1 97 7 7 LYS CD C 29.255 0.005 1 98 7 7 LYS CE C 42.440 0.002 1 99 7 7 LYS N N 122.495 0.002 1 100 8 8 SER H H 8.348 0.001 1 101 8 8 SER HA H 4.535 0.005 1 102 8 8 SER HB2 H 3.947 0.001 1 103 8 8 SER HB3 H 3.947 0.001 1 104 8 8 SER C C 174.940 0.000 1 105 8 8 SER CA C 58.394 0.011 1 106 8 8 SER CB C 64.158 0.001 1 107 8 8 SER N N 117.231 0.002 1 108 9 9 GLY H H 8.425 0.001 1 109 9 9 GLY HA2 H 4.024 0.010 1 110 9 9 GLY HA3 H 4.026 0.010 1 111 9 9 GLY C C 174.494 0.000 1 112 9 9 GLY CA C 45.348 0.123 1 113 9 9 GLY N N 110.803 0.002 1 114 10 10 GLY H H 8.230 0.001 1 115 10 10 GLY HA2 H 3.955 0.007 1 116 10 10 GLY HA3 H 3.955 0.006 1 117 10 10 GLY C C 173.838 0.000 1 118 10 10 GLY CA C 45.334 0.112 1 119 10 10 GLY N N 108.573 0.003 1 120 11 11 PHE H H 8.062 0.006 1 121 11 11 PHE HA H 4.665 0.007 1 122 11 11 PHE HB2 H 3.124 0.002 1 123 11 11 PHE HB3 H 3.124 0.002 1 124 11 11 PHE C C 175.501 0.000 1 125 11 11 PHE CA C 57.867 0.034 1 126 11 11 PHE CB C 39.902 0.002 1 127 11 11 PHE N N 120.054 0.029 1 128 12 12 ARG H H 8.171 0.002 1 129 12 12 ARG HA H 4.329 0.005 1 130 12 12 ARG HB2 H 1.815 0.001 1 131 12 12 ARG HB3 H 1.815 0.001 1 132 12 12 ARG HG2 H 1.738 0.001 1 133 12 12 ARG HG3 H 1.738 0.001 1 134 12 12 ARG HD2 H 3.217 0.001 1 135 12 12 ARG HD3 H 3.217 0.001 1 136 12 12 ARG C C 175.669 0.000 1 137 12 12 ARG CA C 56.229 0.004 1 138 12 12 ARG CB C 31.067 0.000 1 139 12 12 ARG CG C 26.923 0.077 1 140 12 12 ARG CD C 43.640 0.000 1 141 12 12 ARG N N 123.059 0.186 1 142 13 13 ILE H H 8.145 0.001 1 143 13 13 ILE HA H 4.176 0.017 1 144 13 13 ILE HB H 1.904 0.007 1 145 13 13 ILE HG12 H 1.259 0.025 2 146 13 13 ILE HG13 H 1.538 0.004 2 147 13 13 ILE HG2 H 0.931 0.008 1 148 13 13 ILE HD1 H 0.878 0.015 1 149 13 13 ILE C C 176.222 0.000 1 150 13 13 ILE CA C 61.325 0.022 1 151 13 13 ILE CB C 38.578 0.027 1 152 13 13 ILE CG1 C 28.021 0.141 1 153 13 13 ILE CG2 C 17.761 0.015 1 154 13 13 ILE CD1 C 13.385 0.017 1 155 13 13 ILE N N 122.502 0.000 1 156 14 14 VAL H H 8.130 0.002 1 157 14 14 VAL HA H 4.121 0.006 1 158 14 14 VAL HB H 2.108 0.001 1 159 14 14 VAL HG1 H 0.963 0.001 1 160 14 14 VAL HG2 H 0.963 0.001 1 161 14 14 VAL C C 175.738 0.000 1 162 14 14 VAL CA C 62.568 0.072 1 163 14 14 VAL CB C 32.467 0.014 1 164 14 14 VAL CG1 C 20.769 0.001 1 165 14 14 VAL CG2 C 20.769 0.001 1 166 14 14 VAL N N 123.812 0.001 1 167 15 15 ASN H H 8.387 0.013 1 168 15 15 ASN HA H 4.743 0.015 1 169 15 15 ASN HB2 H 2.875 0.004 2 170 15 15 ASN HB3 H 2.817 0.047 2 171 15 15 ASN C C 175.269 0.000 1 172 15 15 ASN CA C 53.375 0.086 1 173 15 15 ASN CB C 38.874 0.175 1 174 15 15 ASN N N 122.027 0.117 1 175 16 16 MET H H 8.295 0.010 1 176 16 16 MET HA H 4.161 0.003 1 177 16 16 MET HB2 H 2.211 0.006 1 178 16 16 MET HB3 H 2.211 0.006 1 179 16 16 MET HG2 H 2.647 0.001 1 180 16 16 MET HG3 H 2.647 0.001 1 181 16 16 MET HE H 2.180 0.005 1 182 16 16 MET C C 176.205 0.000 1 183 16 16 MET CA C 56.024 0.105 1 184 16 16 MET CB C 32.838 0.003 1 185 16 16 MET CG C 31.017 0.117 1 186 16 16 MET CE C 17.097 0.001 1 187 16 16 MET N N 121.200 0.098 1 188 17 17 LEU H H 8.137 0.002 1 189 17 17 LEU HA H 4.340 0.001 1 190 17 17 LEU HB2 H 1.732 0.016 1 191 17 17 LEU HB3 H 1.732 0.016 1 192 17 17 LEU HG H 1.610 0.003 1 193 17 17 LEU HD1 H 0.964 0.000 2 194 17 17 LEU HD2 H 0.909 0.001 2 195 17 17 LEU C C 177.353 0.000 1 196 17 17 LEU CA C 55.437 0.002 1 197 17 17 LEU CB C 42.203 0.046 1 198 17 17 LEU CG C 27.091 0.066 1 199 17 17 LEU CD1 C 24.941 0.002 1 200 17 17 LEU CD2 C 24.941 0.002 1 201 17 17 LEU N N 122.490 0.000 1 202 18 18 LYS H H 8.125 0.001 1 203 18 18 LYS HA H 4.340 0.000 1 204 18 18 LYS HB2 H 1.847 0.000 1 205 18 18 LYS HB3 H 1.847 0.000 1 206 18 18 LYS HG2 H 1.483 0.000 1 207 18 18 LYS HG3 H 1.483 0.000 1 208 18 18 LYS HD2 H 1.605 0.004 1 209 18 18 LYS HD3 H 1.605 0.004 1 210 18 18 LYS HE2 H 3.052 0.000 1 211 18 18 LYS HE3 H 3.052 0.000 1 212 18 18 LYS C C 176.452 0.000 1 213 18 18 LYS CA C 56.400 0.000 1 214 18 18 LYS CB C 32.640 0.000 1 215 18 18 LYS CG C 24.731 0.001 1 216 18 18 LYS CD C 29.110 0.113 1 217 18 18 LYS CE C 42.301 0.001 1 218 18 18 LYS N N 121.649 0.002 1 219 19 19 ARG H H 8.239 0.010 1 220 19 19 ARG HA H 4.384 0.002 1 221 19 19 ARG HB2 H 1.889 0.001 1 222 19 19 ARG HB3 H 1.889 0.001 1 223 19 19 ARG HG2 H 1.731 0.003 1 224 19 19 ARG HG3 H 1.731 0.003 1 225 19 19 ARG HD2 H 3.266 0.003 1 226 19 19 ARG HD3 H 3.266 0.003 1 227 19 19 ARG C C 176.766 0.000 1 228 19 19 ARG CA C 56.435 0.002 1 229 19 19 ARG CB C 30.919 0.001 1 230 19 19 ARG CG C 28.258 0.009 1 231 19 19 ARG CD C 43.545 0.008 1 232 19 19 ARG N N 121.877 0.093 1 233 20 20 GLY H H 8.386 0.001 1 234 20 20 GLY HA2 H 4.030 0.011 1 235 20 20 GLY HA3 H 4.030 0.011 1 236 20 20 GLY C C 174.015 0.000 1 237 20 20 GLY CA C 45.404 0.105 1 238 20 20 GLY N N 110.025 0.009 1 239 21 21 VAL H H 7.907 0.002 1 240 21 21 VAL HA H 4.184 0.013 1 241 21 21 VAL HB H 2.136 0.001 1 242 21 21 VAL HG1 H 0.968 0.001 1 243 21 21 VAL HG2 H 0.968 0.001 1 244 21 21 VAL C C 175.765 0.000 1 245 21 21 VAL CA C 62.128 0.129 1 246 21 21 VAL CB C 32.605 0.005 1 247 21 21 VAL CG1 C 21.179 0.001 1 248 21 21 VAL CG2 C 21.179 0.001 1 249 21 21 VAL N N 118.963 0.028 1 250 22 22 ALA H H 8.318 0.002 1 251 22 22 ALA HA H 4.399 0.006 1 252 22 22 ALA HB H 1.436 0.002 1 253 22 22 ALA C C 177.387 0.000 1 254 22 22 ALA CA C 52.516 0.055 1 255 22 22 ALA CB C 19.316 0.066 1 256 22 22 ALA N N 127.437 0.007 1 257 23 23 ARG H H 8.256 0.002 1 258 23 23 ARG HA H 4.389 0.006 1 259 23 23 ARG HB2 H 1.826 0.001 1 260 23 23 ARG HB3 H 1.826 0.001 1 261 23 23 ARG HG2 H 1.619 0.004 1 262 23 23 ARG HG3 H 1.618 0.004 1 263 23 23 ARG HD2 H 3.263 0.001 1 264 23 23 ARG HD3 H 3.263 0.001 1 265 23 23 ARG C C 176.081 0.000 1 266 23 23 ARG CA C 56.082 0.009 1 267 23 23 ARG CB C 30.656 0.007 1 268 23 23 ARG CG C 27.109 0.075 1 269 23 23 ARG CD C 44.047 0.026 1 270 23 23 ARG N N 120.778 0.001 1 271 24 24 VAL H H 8.124 0.007 1 272 24 24 VAL HA H 4.216 0.005 1 273 24 24 VAL HB H 2.101 0.001 1 274 24 24 VAL HG1 H 0.963 0.000 1 275 24 24 VAL HG2 H 0.963 0.000 1 276 24 24 VAL C C 175.679 0.000 1 277 24 24 VAL CA C 61.975 0.133 1 278 24 24 VAL CB C 32.853 0.003 1 279 24 24 VAL CG1 C 21.142 0.002 1 280 24 24 VAL CG2 C 21.142 0.002 1 281 24 24 VAL N N 121.120 0.063 1 282 25 25 SER H H 8.427 0.004 1 283 25 25 SER HA H 4.831 0.002 1 284 25 25 SER HB2 H 3.950 0.006 2 285 25 25 SER HB3 H 3.885 0.014 2 286 25 25 SER C C 173.495 0.000 1 287 25 25 SER CA C 55.967 0.017 1 288 25 25 SER CB C 63.924 0.028 1 289 25 25 SER N N 120.452 0.001 1 290 26 26 PRO HA H 4.458 0.005 1 291 26 26 PRO HB2 H 1.692 0.001 2 292 26 26 PRO HB3 H 2.227 0.012 2 293 26 26 PRO HG2 H 2.065 0.010 1 294 26 26 PRO HG3 H 2.026 0.048 1 295 26 26 PRO HD2 H 3.843 0.012 2 296 26 26 PRO HD3 H 3.803 0.003 2 297 26 26 PRO CA C 63.636 0.070 1 298 26 26 PRO CB C 31.882 0.095 1 299 26 26 PRO CG C 27.374 0.079 1 300 26 26 PRO CD C 50.789 0.020 1 301 27 27 PHE H H 8.073 0.001 1 302 27 27 PHE HA H 4.648 0.010 1 303 27 27 PHE HB2 H 3.266 0.006 2 304 27 27 PHE HB3 H 3.060 0.002 2 305 27 27 PHE C C 176.368 0.000 1 306 27 27 PHE CA C 57.958 0.003 1 307 27 27 PHE CB C 39.625 0.147 1 308 27 27 PHE N N 118.782 0.000 1 309 28 28 GLY H H 8.182 0.001 1 310 28 28 GLY HA2 H 3.950 0.006 1 311 28 28 GLY HA3 H 3.950 0.006 1 312 28 28 GLY C C 174.330 0.000 1 313 28 28 GLY CA C 45.395 0.088 1 314 28 28 GLY N N 109.753 0.004 1 315 29 29 GLY H H 7.928 0.003 1 316 29 29 GLY HA2 H 3.845 0.004 1 317 29 29 GLY HA3 H 3.845 0.004 1 318 29 29 GLY C C 173.780 0.000 1 319 29 29 GLY CA C 44.975 0.042 1 320 29 29 GLY N N 107.860 0.004 1 321 30 30 LEU H H 7.968 0.001 1 322 30 30 LEU HA H 4.362 0.001 1 323 30 30 LEU HB2 H 1.814 0.007 1 324 30 30 LEU HB3 H 1.814 0.007 1 325 30 30 LEU HG H 1.482 0.000 1 326 30 30 LEU HD1 H 0.967 0.000 2 327 30 30 LEU HD2 H 0.904 0.000 2 328 30 30 LEU C C 176.993 0.000 1 329 30 30 LEU CA C 55.899 0.001 1 330 30 30 LEU CB C 42.943 0.055 1 331 30 30 LEU CG C 27.310 0.003 1 332 30 30 LEU CD1 C 24.691 0.001 1 333 30 30 LEU CD2 C 24.691 0.001 1 334 30 30 LEU N N 121.181 0.027 1 335 31 31 LYS H H 8.674 0.010 1 336 31 31 LYS HA H 4.330 0.009 1 337 31 31 LYS HB2 H 1.801 0.001 1 338 31 31 LYS HB3 H 1.801 0.001 1 339 31 31 LYS HG2 H 1.489 0.000 1 340 31 31 LYS HG3 H 1.489 0.000 1 341 31 31 LYS HD2 H 1.698 0.003 1 342 31 31 LYS HD3 H 1.698 0.003 1 343 31 31 LYS HE2 H 3.052 0.001 1 344 31 31 LYS HE3 H 3.052 0.001 1 345 31 31 LYS C C 176.201 0.000 1 346 31 31 LYS CA C 57.057 0.068 1 347 31 31 LYS CB C 33.188 0.002 1 348 31 31 LYS CG C 24.988 0.002 1 349 31 31 LYS CD C 29.124 0.108 1 350 31 31 LYS CE C 41.791 0.001 1 351 31 31 LYS N N 122.645 0.009 1 352 32 32 ARG H H 7.607 0.003 1 353 32 32 ARG HA H 4.261 0.002 1 354 32 32 ARG HB2 H 1.729 0.017 1 355 32 32 ARG HB3 H 1.729 0.017 1 356 32 32 ARG HG2 H 1.446 0.001 1 357 32 32 ARG HG3 H 1.446 0.001 1 358 32 32 ARG HD2 H 3.041 0.001 1 359 32 32 ARG HD3 H 3.041 0.001 1 360 32 32 ARG C C 175.146 0.000 1 361 32 32 ARG CA C 54.853 0.029 1 362 32 32 ARG CB C 32.196 0.022 1 363 32 32 ARG CG C 27.244 0.001 1 364 32 32 ARG CD C 42.412 0.002 1 365 32 32 ARG N N 116.258 0.001 1 366 33 33 LEU H H 8.547 0.004 1 367 33 33 LEU HA H 4.435 0.014 1 368 33 33 LEU HB2 H 1.795 0.010 1 369 33 33 LEU HB3 H 1.795 0.010 1 370 33 33 LEU HG H 1.333 0.000 1 371 33 33 LEU HD1 H 0.711 0.010 1 372 33 33 LEU HD2 H 0.707 0.013 1 373 33 33 LEU C C 176.501 0.000 1 374 33 33 LEU CA C 53.537 0.159 1 375 33 33 LEU CB C 41.434 0.055 1 376 33 33 LEU CD1 C 25.233 0.194 1 377 33 33 LEU CD2 C 25.233 0.194 1 378 33 33 LEU N N 122.179 0.026 1 379 34 34 PRO HA H 4.460 0.009 1 380 34 34 PRO HB2 H 2.342 0.006 1 381 34 34 PRO HB3 H 2.342 0.006 1 382 34 34 PRO HG2 H 2.046 0.043 1 383 34 34 PRO HG3 H 2.061 0.023 1 384 34 34 PRO HD2 H 3.832 0.040 2 385 34 34 PRO HD3 H 3.802 0.004 2 386 34 34 PRO C C 176.885 0.000 1 387 34 34 PRO CA C 63.031 0.030 1 388 34 34 PRO CB C 31.675 0.232 1 389 34 34 PRO CG C 27.356 0.206 1 390 34 34 PRO CD C 50.800 0.071 1 391 35 35 ALA H H 8.590 0.001 1 392 35 35 ALA HA H 4.180 0.016 1 393 35 35 ALA HB H 1.463 0.002 1 394 35 35 ALA C C 179.401 0.000 1 395 35 35 ALA CA C 54.067 0.087 1 396 35 35 ALA CB C 18.495 0.000 1 397 35 35 ALA N N 127.067 0.019 1 398 36 36 GLY H H 8.803 0.004 1 399 36 36 GLY HA2 H 4.000 0.029 1 400 36 36 GLY HA3 H 3.999 0.028 1 401 36 36 GLY C C 174.428 0.000 1 402 36 36 GLY CA C 46.280 0.127 1 403 36 36 GLY N N 109.230 0.039 1 404 37 37 LEU H H 7.634 0.003 1 405 37 37 LEU HA H 4.387 0.004 1 406 37 37 LEU HB2 H 1.854 0.000 1 407 37 37 LEU HB3 H 1.854 0.000 1 408 37 37 LEU HG H 1.549 0.001 1 409 37 37 LEU HD1 H 0.927 0.000 1 410 37 37 LEU HD2 H 0.927 0.000 1 411 37 37 LEU C C 179.692 0.000 1 412 37 37 LEU CA C 58.371 0.005 1 413 37 37 LEU CB C 38.913 0.000 1 414 37 37 LEU CG C 27.316 0.005 1 415 37 37 LEU CD1 C 24.809 0.000 1 416 37 37 LEU CD2 C 24.809 0.000 1 417 37 37 LEU N N 112.750 0.065 1 418 38 38 LEU H H 8.315 0.017 1 419 38 38 LEU HA H 4.070 0.022 1 420 38 38 LEU HB2 H 1.644 0.032 1 421 38 38 LEU HB3 H 1.644 0.032 1 422 38 38 LEU HD1 H 0.942 0.001 1 423 38 38 LEU HD2 H 0.942 0.001 1 424 38 38 LEU C C 177.405 0.000 1 425 38 38 LEU CA C 56.718 0.106 1 426 38 38 LEU CB C 41.643 0.125 1 427 38 38 LEU CD1 C 24.357 0.003 1 428 38 38 LEU CD2 C 24.358 0.003 1 429 38 38 LEU N N 114.580 0.046 1 430 39 39 LEU H H 7.467 0.005 1 431 39 39 LEU HA H 4.405 0.007 1 432 39 39 LEU HB2 H 1.674 0.013 1 433 39 39 LEU HB3 H 1.674 0.013 1 434 39 39 LEU HG H 1.541 0.010 1 435 39 39 LEU HD1 H 0.989 0.001 2 436 39 39 LEU HD2 H 0.922 0.005 2 437 39 39 LEU C C 176.324 0.000 1 438 39 39 LEU CA C 54.296 0.205 1 439 39 39 LEU CB C 41.669 0.123 1 440 39 39 LEU CG C 27.442 0.000 1 441 39 39 LEU CD1 C 25.032 0.001 1 442 39 39 LEU CD2 C 25.032 0.001 1 443 39 39 LEU N N 118.030 0.046 1 444 40 40 GLY H H 7.980 0.006 1 445 40 40 GLY HA2 H 3.763 0.027 1 446 40 40 GLY HA3 H 3.763 0.027 1 447 40 40 GLY C C 172.679 0.000 1 448 40 40 GLY CA C 45.288 0.000 1 449 40 40 GLY N N 105.043 0.044 1 450 41 41 HIS H H 7.914 0.004 1 451 41 41 HIS HA H 4.845 0.011 1 452 41 41 HIS HB2 H 3.098 0.013 2 453 41 41 HIS HB3 H 2.863 0.011 2 454 41 41 HIS HD2 H 6.837 0.005 1 455 41 41 HIS HE1 H 8.190 0.001 1 456 41 41 HIS C C 174.222 0.000 1 457 41 41 HIS CA C 54.622 0.064 1 458 41 41 HIS CB C 30.760 0.074 1 459 41 41 HIS CD2 C 118.368 0.003 1 460 41 41 HIS CE1 C 137.921 0.010 1 461 41 41 HIS N N 120.102 0.039 1 462 42 42 GLY H H 8.569 0.004 1 463 42 42 GLY HA2 H 3.929 0.020 1 464 42 42 GLY HA3 H 3.929 0.020 1 465 42 42 GLY CA C 43.800 0.000 1 466 42 42 GLY N N 109.143 0.042 1 467 43 43 PRO HA H 3.911 0.013 1 468 43 43 PRO HB2 H 1.887 0.014 1 469 43 43 PRO HB3 H 1.882 0.003 1 470 43 43 PRO HG2 H 1.715 0.009 1 471 43 43 PRO HG3 H 1.715 0.009 1 472 43 43 PRO C C 179.489 0.000 1 473 43 43 PRO CA C 61.211 0.096 1 474 43 43 PRO CB C 31.630 0.001 1 475 43 43 PRO CG C 27.204 0.001 1 476 44 44 ILE H H 7.347 0.010 1 477 44 44 ILE HA H 4.124 0.009 1 478 44 44 ILE HB H 1.397 0.010 1 479 44 44 ILE HG12 H 1.593 0.006 1 480 44 44 ILE HG13 H 1.593 0.006 1 481 44 44 ILE HG2 H 0.892 0.011 1 482 44 44 ILE HD1 H 0.769 0.009 1 483 44 44 ILE C C 179.116 0.000 1 484 44 44 ILE CA C 60.147 0.106 1 485 44 44 ILE CB C 39.583 0.074 1 486 44 44 ILE CG1 C 28.293 0.066 1 487 44 44 ILE CG2 C 18.837 0.055 1 488 44 44 ILE CD1 C 12.924 0.034 1 489 44 44 ILE N N 122.018 0.043 1 490 45 45 ARG H H 8.072 0.008 1 491 45 45 ARG HA H 4.417 0.005 1 492 45 45 ARG HB2 H 1.892 0.011 1 493 45 45 ARG HB3 H 1.892 0.011 1 494 45 45 ARG HG2 H 1.482 0.002 1 495 45 45 ARG HG3 H 1.482 0.002 1 496 45 45 ARG HD2 H 3.265 0.001 1 497 45 45 ARG HD3 H 3.265 0.001 1 498 45 45 ARG C C 178.980 0.000 1 499 45 45 ARG CA C 56.435 0.002 1 500 45 45 ARG CB C 32.354 0.082 1 501 45 45 ARG CG C 26.854 0.004 1 502 45 45 ARG CD C 43.031 0.000 1 503 45 45 ARG N N 120.088 0.024 1 504 46 46 MET H H 8.479 0.009 1 505 46 46 MET HA H 3.965 0.019 1 506 46 46 MET HB2 H 2.125 0.009 1 507 46 46 MET HB3 H 2.125 0.009 1 508 46 46 MET HG2 H 2.567 0.035 2 509 46 46 MET HG3 H 2.644 0.019 2 510 46 46 MET HE H 2.134 0.004 1 511 46 46 MET C C 179.650 0.000 1 512 46 46 MET CA C 61.307 0.003 1 513 46 46 MET CB C 32.196 0.005 1 514 46 46 MET CG C 32.237 0.160 1 515 46 46 MET CE C 16.769 0.037 1 516 46 46 MET N N 119.334 0.034 1 517 47 47 VAL H H 7.689 0.007 1 518 47 47 VAL HA H 4.264 0.017 1 519 47 47 VAL HB H 1.822 0.003 1 520 47 47 VAL HG1 H 1.077 0.008 1 521 47 47 VAL HG2 H 1.077 0.008 1 522 47 47 VAL C C 179.971 0.000 1 523 47 47 VAL CA C 59.772 0.043 1 524 47 47 VAL CB C 31.858 0.019 1 525 47 47 VAL CG1 C 19.630 0.068 1 526 47 47 VAL CG2 C 19.615 0.069 1 527 47 47 VAL N N 121.056 0.049 1 528 48 48 LEU H H 8.541 0.004 1 529 48 48 LEU HA H 4.389 0.012 1 530 48 48 LEU HB2 H 1.823 0.005 1 531 48 48 LEU HB3 H 1.823 0.005 1 532 48 48 LEU HG H 1.567 0.006 1 533 48 48 LEU HD1 H 1.247 0.001 1 534 48 48 LEU HD2 H 1.247 0.001 1 535 48 48 LEU C C 178.600 0.000 1 536 48 48 LEU CA C 58.380 0.010 1 537 48 48 LEU CB C 40.698 0.103 1 538 48 48 LEU CG C 27.980 0.000 1 539 48 48 LEU CD1 C 24.920 0.000 1 540 48 48 LEU CD2 C 24.920 0.000 1 541 48 48 LEU N N 123.214 0.014 1 542 49 49 ALA H H 8.187 0.017 1 543 49 49 ALA HA H 4.135 0.013 1 544 49 49 ALA HB H 1.631 0.013 1 545 49 49 ALA C C 179.649 0.000 1 546 49 49 ALA CA C 55.764 0.161 1 547 49 49 ALA CB C 20.046 0.005 1 548 49 49 ALA N N 120.736 0.045 1 549 50 50 ILE H H 8.679 0.010 1 550 50 50 ILE HA H 4.146 0.022 1 551 50 50 ILE HB H 1.869 0.029 1 552 50 50 ILE HG12 H 1.337 0.000 1 553 50 50 ILE HG13 H 1.337 0.000 1 554 50 50 ILE HG2 H 1.076 0.006 1 555 50 50 ILE HD1 H 0.059 0.005 1 556 50 50 ILE C C 177.044 0.000 1 557 50 50 ILE CA C 60.577 0.155 1 558 50 50 ILE CB C 37.480 0.000 1 559 50 50 ILE CG2 C 19.576 0.051 1 560 50 50 ILE CD1 C 13.452 0.025 1 561 50 50 ILE N N 120.251 0.031 1 562 51 51 LEU H H 8.187 0.009 1 563 51 51 LEU HA H 3.963 0.015 1 564 51 51 LEU HB2 H 1.797 0.011 1 565 51 51 LEU HB3 H 1.797 0.011 1 566 51 51 LEU HG H 1.478 0.002 1 567 51 51 LEU HD1 H 0.804 0.011 1 568 51 51 LEU HD2 H 0.453 0.013 1 569 51 51 LEU C C 178.877 0.000 1 570 51 51 LEU CA C 58.323 0.099 1 571 51 51 LEU CB C 41.794 0.027 1 572 51 51 LEU CG C 27.371 0.002 1 573 51 51 LEU CD1 C 25.007 0.000 1 574 51 51 LEU CD2 C 24.941 0.118 1 575 51 51 LEU N N 125.189 0.047 1 576 52 52 ALA H H 8.105 0.005 1 577 52 52 ALA HA H 3.619 0.020 1 578 52 52 ALA HB H 1.231 0.004 1 579 52 52 ALA C C 176.404 0.000 1 580 52 52 ALA CA C 55.413 0.052 1 581 52 52 ALA CB C 17.688 0.019 1 582 52 52 ALA N N 121.842 0.066 1 583 53 53 PHE H H 7.878 0.008 1 584 53 53 PHE HA H 4.402 0.022 1 585 53 53 PHE HB2 H 2.854 0.002 1 586 53 53 PHE HB3 H 2.854 0.002 1 587 53 53 PHE C C 177.041 0.000 1 588 53 53 PHE CA C 62.049 0.120 1 589 53 53 PHE CB C 39.500 0.001 1 590 53 53 PHE N N 115.933 0.029 1 591 54 54 LEU H H 8.294 0.011 1 592 54 54 LEU HA H 4.194 0.013 1 593 54 54 LEU HB2 H 1.884 0.000 1 594 54 54 LEU HB3 H 1.884 0.000 1 595 54 54 LEU HG H 1.645 0.001 1 596 54 54 LEU HD1 H 1.438 0.003 1 597 54 54 LEU HD2 H 1.439 0.000 1 598 54 54 LEU C C 178.090 0.000 1 599 54 54 LEU CA C 57.611 0.028 1 600 54 54 LEU CB C 39.042 0.015 1 601 54 54 LEU CG C 27.379 0.000 1 602 54 54 LEU CD1 C 24.977 0.000 1 603 54 54 LEU CD2 C 24.977 0.000 1 604 54 54 LEU N N 121.186 0.082 1 605 55 55 ARG H H 7.863 0.011 1 606 55 55 ARG HA H 4.042 0.020 1 607 55 55 ARG HB2 H 1.824 0.012 1 608 55 55 ARG HB3 H 1.824 0.012 1 609 55 55 ARG HG2 H 1.577 0.002 1 610 55 55 ARG HG3 H 1.577 0.002 1 611 55 55 ARG HD2 H 3.125 0.001 1 612 55 55 ARG HD3 H 3.125 0.001 1 613 55 55 ARG C C 180.214 0.000 1 614 55 55 ARG CA C 59.000 0.119 1 615 55 55 ARG CB C 28.900 0.005 1 616 55 55 ARG CG C 27.724 0.004 1 617 55 55 ARG CD C 42.560 0.000 1 618 55 55 ARG N N 120.198 0.002 1 619 56 56 PHE H H 8.949 0.016 1 620 56 56 PHE HA H 4.785 0.010 1 621 56 56 PHE HB2 H 3.050 0.003 1 622 56 56 PHE HB3 H 3.050 0.003 1 623 56 56 PHE C C 179.044 0.000 1 624 56 56 PHE CA C 56.164 0.197 1 625 56 56 PHE CB C 38.050 0.000 1 626 56 56 PHE N N 118.453 0.021 1 627 57 57 THR H H 7.262 0.008 1 628 57 57 THR HA H 4.035 0.039 1 629 57 57 THR HB H 4.079 0.026 1 630 57 57 THR HG2 H 0.715 0.012 1 631 57 57 THR C C 173.271 0.000 1 632 57 57 THR CA C 61.062 0.104 1 633 57 57 THR CB C 69.358 0.145 1 634 57 57 THR CG2 C 23.832 0.048 1 635 57 57 THR N N 105.406 0.049 1 636 58 58 ALA H H 7.733 0.007 1 637 58 58 ALA HA H 4.009 0.009 1 638 58 58 ALA HB H 1.465 0.007 1 639 58 58 ALA C C 175.664 0.000 1 640 58 58 ALA CA C 53.074 0.079 1 641 58 58 ALA CB C 16.691 0.139 1 642 58 58 ALA N N 123.927 0.006 1 643 59 59 ILE H H 8.241 0.007 1 644 59 59 ILE HA H 4.136 0.013 1 645 59 59 ILE HB H 1.885 0.003 1 646 59 59 ILE HG12 H 1.540 0.003 2 647 59 59 ILE HG13 H 1.252 0.008 2 648 59 59 ILE HG2 H 0.925 0.008 1 649 59 59 ILE HD1 H 0.886 0.004 1 650 59 59 ILE C C 175.335 0.000 1 651 59 59 ILE CA C 60.712 0.003 1 652 59 59 ILE CB C 38.004 0.005 1 653 59 59 ILE CG1 C 27.465 0.013 1 654 59 59 ILE CG2 C 17.501 0.001 1 655 59 59 ILE CD1 C 12.818 0.029 1 656 59 59 ILE N N 121.907 0.080 1 657 60 60 LYS H H 8.217 0.002 1 658 60 60 LYS HA H 4.437 0.003 1 659 60 60 LYS HB2 H 1.807 0.008 1 660 60 60 LYS HB3 H 1.807 0.008 1 661 60 60 LYS HG2 H 1.543 0.010 1 662 60 60 LYS HG3 H 1.543 0.010 1 663 60 60 LYS HD2 H 1.645 0.001 1 664 60 60 LYS HD3 H 1.645 0.001 1 665 60 60 LYS HE2 H 3.082 0.001 1 666 60 60 LYS HE3 H 3.082 0.001 1 667 60 60 LYS C C 174.737 0.000 1 668 60 60 LYS CA C 54.830 0.026 1 669 60 60 LYS CB C 31.562 0.002 1 670 60 60 LYS CG C 24.874 0.042 1 671 60 60 LYS CD C 27.721 0.001 1 672 60 60 LYS CE C 42.310 0.000 1 673 60 60 LYS N N 128.188 0.024 1 674 61 61 PRO HA H 4.210 0.022 1 675 61 61 PRO HB2 H 1.811 0.029 1 676 61 61 PRO HB3 H 1.811 0.029 1 677 61 61 PRO HG2 H 1.743 0.022 1 678 61 61 PRO HG3 H 1.743 0.022 1 679 61 61 PRO HD2 H 3.055 0.005 1 680 61 61 PRO HD3 H 3.055 0.005 1 681 61 61 PRO C C 176.032 0.000 1 682 61 61 PRO CA C 56.315 0.078 1 683 61 61 PRO CB C 32.952 0.008 1 684 61 61 PRO CG C 28.429 0.189 1 685 61 61 PRO CD C 49.498 0.176 1 686 62 62 SER H H 8.423 0.009 1 687 62 62 SER HA H 4.390 0.023 1 688 62 62 SER C C 174.302 0.000 1 689 62 62 SER CA C 57.156 0.156 1 690 62 62 SER CB C 64.944 0.000 1 691 62 62 SER N N 114.856 0.055 1 692 63 63 LEU H H 8.609 0.002 1 693 63 63 LEU HA H 4.086 0.019 1 694 63 63 LEU HB2 H 1.697 0.005 1 695 63 63 LEU HB3 H 1.697 0.005 1 696 63 63 LEU HG H 1.506 0.002 1 697 63 63 LEU HD1 H 0.968 0.000 1 698 63 63 LEU HD2 H 0.968 0.001 1 699 63 63 LEU C C 179.379 0.000 1 700 63 63 LEU CA C 57.918 0.151 1 701 63 63 LEU CB C 41.534 0.229 1 702 63 63 LEU CG C 27.530 0.000 1 703 63 63 LEU CD1 C 24.636 0.001 1 704 63 63 LEU CD2 C 24.636 0.001 1 705 63 63 LEU N N 121.952 0.024 1 706 64 64 GLY H H 8.616 0.010 1 707 64 64 GLY HA2 H 3.909 0.028 1 708 64 64 GLY HA3 H 3.909 0.028 1 709 64 64 GLY C C 177.502 0.000 1 710 64 64 GLY CA C 47.160 0.117 1 711 64 64 GLY N N 105.523 0.039 1 712 65 65 LEU H H 7.528 0.007 1 713 65 65 LEU HA H 4.226 0.017 1 714 65 65 LEU HB2 H 1.639 0.027 1 715 65 65 LEU HB3 H 1.639 0.027 1 716 65 65 LEU HG H 1.042 0.004 1 717 65 65 LEU HD1 H 0.907 0.000 1 718 65 65 LEU HD2 H 0.907 0.000 1 719 65 65 LEU C C 178.617 0.000 1 720 65 65 LEU CA C 57.964 0.132 1 721 65 65 LEU CB C 41.926 0.107 1 722 65 65 LEU CG C 26.941 0.007 1 723 65 65 LEU CD1 C 25.172 0.003 1 724 65 65 LEU CD2 C 25.172 0.003 1 725 65 65 LEU N N 122.440 0.015 1 726 66 66 ILE H H 8.132 0.011 1 727 66 66 ILE HA H 3.827 0.016 1 728 66 66 ILE HB H 2.131 0.009 1 729 66 66 ILE HG12 H 1.144 0.022 1 730 66 66 ILE HG13 H 1.167 0.000 1 731 66 66 ILE HG2 H 1.051 0.019 1 732 66 66 ILE HD1 H 0.781 0.009 1 733 66 66 ILE C C 179.563 0.000 1 734 66 66 ILE CA C 64.225 0.102 1 735 66 66 ILE CB C 36.984 0.110 1 736 66 66 ILE CG1 C 23.590 0.140 1 737 66 66 ILE CG2 C 18.096 0.097 1 738 66 66 ILE CD1 C 11.931 0.119 1 739 66 66 ILE N N 121.141 0.047 1 740 67 67 ASN H H 8.899 0.008 1 741 67 67 ASN HA H 4.608 0.017 1 742 67 67 ASN HB2 H 2.979 0.029 1 743 67 67 ASN HB3 H 2.914 0.021 1 744 67 67 ASN C C 178.901 0.000 1 745 67 67 ASN CA C 55.964 0.031 1 746 67 67 ASN CB C 37.940 0.057 1 747 67 67 ASN N N 120.696 0.026 1 748 68 68 ARG H H 7.806 0.007 1 749 68 68 ARG HA H 4.394 0.006 1 750 68 68 ARG HB2 H 1.899 0.035 1 751 68 68 ARG HB3 H 1.899 0.035 1 752 68 68 ARG HG2 H 1.487 0.001 1 753 68 68 ARG HG3 H 1.487 0.001 1 754 68 68 ARG HD2 H 3.053 0.002 1 755 68 68 ARG HD3 H 3.054 0.002 1 756 68 68 ARG C C 179.446 0.000 1 757 68 68 ARG CA C 57.069 0.045 1 758 68 68 ARG CB C 32.854 0.135 1 759 68 68 ARG CG C 27.071 0.001 1 760 68 68 ARG CD C 42.741 0.059 1 761 68 68 ARG N N 120.848 0.031 1 762 69 69 TRP H H 8.488 0.006 1 763 69 69 TRP HA H 4.495 0.014 1 764 69 69 TRP HB2 H 3.307 0.007 1 765 69 69 TRP HB3 H 3.307 0.007 1 766 69 69 TRP HD1 H 7.440 0.024 1 767 69 69 TRP HE1 H 10.085 0.003 1 768 69 69 TRP HE3 H 6.977 0.003 1 769 69 69 TRP HZ2 H 7.355 0.028 1 770 69 69 TRP HZ3 H 7.106 0.002 1 771 69 69 TRP HH2 H 7.254 0.036 1 772 69 69 TRP C C 177.522 0.000 1 773 69 69 TRP CA C 58.883 0.084 1 774 69 69 TRP CB C 30.080 0.000 1 775 69 69 TRP CD1 C 130.880 0.010 1 776 69 69 TRP CE3 C 119.407 0.005 1 777 69 69 TRP CZ2 C 113.755 0.028 1 778 69 69 TRP CZ3 C 124.346 0.002 1 779 69 69 TRP CH2 C 127.911 0.000 1 780 69 69 TRP N N 120.988 0.036 1 781 69 69 TRP NE1 N 128.697 0.023 1 782 70 70 GLY H H 8.283 0.004 1 783 70 70 GLY HA2 H 3.059 0.003 1 784 70 70 GLY HA3 H 3.059 0.003 1 785 70 70 GLY C C 176.227 0.000 1 786 70 70 GLY CA C 46.585 0.296 1 787 70 70 GLY N N 104.293 0.043 1 788 71 71 SER H H 7.612 0.003 1 789 71 71 SER HA H 4.629 0.030 1 790 71 71 SER HB2 H 4.087 0.001 2 791 71 71 SER HB3 H 3.959 0.014 2 792 71 71 SER C C 174.531 0.000 1 793 71 71 SER CA C 58.677 0.007 1 794 71 71 SER CB C 64.940 0.089 1 795 71 71 SER N N 125.460 0.035 1 796 72 72 VAL H H 7.134 0.006 1 797 72 72 VAL HA H 4.196 0.012 1 798 72 72 VAL HB H 2.202 0.020 1 799 72 72 VAL HG1 H 0.964 0.013 1 800 72 72 VAL HG2 H 0.962 0.011 1 801 72 72 VAL C C 174.412 0.000 1 802 72 72 VAL CA C 61.846 0.003 1 803 72 72 VAL CB C 31.900 0.060 1 804 72 72 VAL CG1 C 20.745 0.006 1 805 72 72 VAL CG2 C 20.738 0.000 1 806 72 72 VAL N N 121.707 0.028 1 807 73 73 GLY H H 8.815 0.014 1 808 73 73 GLY HA2 H 4.027 0.016 1 809 73 73 GLY HA3 H 4.027 0.015 1 810 73 73 GLY C C 174.082 0.000 1 811 73 73 GLY CA C 45.518 0.171 1 812 73 73 GLY N N 114.951 0.023 1 813 74 74 LYS H H 8.498 0.011 1 814 74 74 LYS HA H 3.747 0.012 1 815 74 74 LYS HB2 H 1.835 0.000 1 816 74 74 LYS HB3 H 1.835 0.000 1 817 74 74 LYS HG2 H 1.477 0.015 1 818 74 74 LYS HG3 H 1.477 0.015 1 819 74 74 LYS HD2 H 1.787 0.013 1 820 74 74 LYS HD3 H 1.787 0.013 1 821 74 74 LYS HE2 H 3.052 0.000 1 822 74 74 LYS HE3 H 3.050 0.004 1 823 74 74 LYS C C 177.685 0.000 1 824 74 74 LYS CA C 60.621 0.065 1 825 74 74 LYS CB C 32.845 0.055 1 826 74 74 LYS CG C 24.963 0.004 1 827 74 74 LYS CD C 29.064 0.005 1 828 74 74 LYS CE C 42.156 0.006 1 829 74 74 LYS N N 124.608 0.018 1 830 75 75 LYS H H 8.399 0.002 1 831 75 75 LYS HA H 3.960 0.018 1 832 75 75 LYS HB2 H 1.845 0.001 1 833 75 75 LYS HB3 H 1.845 0.001 1 834 75 75 LYS HG2 H 1.397 0.007 1 835 75 75 LYS HG3 H 1.397 0.007 1 836 75 75 LYS HD2 H 1.535 0.001 1 837 75 75 LYS HD3 H 1.535 0.001 1 838 75 75 LYS HE2 H 3.038 0.001 1 839 75 75 LYS HE3 H 3.038 0.001 1 840 75 75 LYS C C 179.004 0.000 1 841 75 75 LYS CA C 60.016 0.107 1 842 75 75 LYS CB C 31.901 0.001 1 843 75 75 LYS CG C 25.158 0.002 1 844 75 75 LYS CD C 27.802 0.003 1 845 75 75 LYS CE C 42.000 0.001 1 846 75 75 LYS N N 118.222 0.017 1 847 76 76 GLU H H 8.383 0.007 1 848 76 76 GLU HA H 4.043 0.013 1 849 76 76 GLU HB2 H 1.909 0.008 1 850 76 76 GLU HB3 H 1.909 0.008 1 851 76 76 GLU HG2 H 2.246 0.031 2 852 76 76 GLU HG3 H 2.312 0.029 2 853 76 76 GLU C C 178.576 0.000 1 854 76 76 GLU CA C 59.266 0.127 1 855 76 76 GLU CB C 29.366 0.060 1 856 76 76 GLU CG C 36.738 0.098 1 857 76 76 GLU N N 118.998 0.104 1 858 77 77 ALA H H 8.236 0.009 1 859 77 77 ALA HA H 3.899 0.010 1 860 77 77 ALA HB H 1.436 0.003 1 861 77 77 ALA C C 179.339 0.000 1 862 77 77 ALA CA C 55.137 0.064 1 863 77 77 ALA CB C 19.316 0.069 1 864 77 77 ALA N N 119.168 0.058 1 865 78 78 MET H H 8.491 0.021 1 866 78 78 MET HA H 3.842 0.006 1 867 78 78 MET HB2 H 2.401 0.008 2 868 78 78 MET HB3 H 2.278 0.004 2 869 78 78 MET HG2 H 2.889 0.008 1 870 78 78 MET HG3 H 2.889 0.008 1 871 78 78 MET HE H 2.243 0.004 1 872 78 78 MET C C 177.922 0.000 1 873 78 78 MET CA C 60.080 0.048 1 874 78 78 MET CB C 32.551 0.114 1 875 78 78 MET CG C 32.540 0.093 1 876 78 78 MET CE C 17.668 0.064 1 877 78 78 MET N N 115.896 0.026 1 878 79 79 GLU H H 7.856 0.004 1 879 79 79 GLU HA H 3.957 0.017 1 880 79 79 GLU HB2 H 2.092 0.020 1 881 79 79 GLU HB3 H 2.092 0.020 1 882 79 79 GLU HG2 H 2.425 0.015 2 883 79 79 GLU HG3 H 2.365 0.017 2 884 79 79 GLU C C 179.637 0.000 1 885 79 79 GLU CA C 59.366 0.088 1 886 79 79 GLU CB C 29.536 0.132 1 887 79 79 GLU CG C 36.399 0.125 1 888 79 79 GLU N N 117.335 0.040 1 889 80 80 ILE H H 7.645 0.009 1 890 80 80 ILE HA H 3.442 0.017 1 891 80 80 ILE HB H 1.571 0.010 1 892 80 80 ILE HG12 H 1.831 0.002 1 893 80 80 ILE HG13 H 1.831 0.002 1 894 80 80 ILE HG2 H 0.290 0.010 1 895 80 80 ILE HD1 H 0.763 0.007 1 896 80 80 ILE C C 176.867 0.000 1 897 80 80 ILE CA C 65.163 0.055 1 898 80 80 ILE CB C 37.595 0.074 1 899 80 80 ILE CG1 C 30.372 0.002 1 900 80 80 ILE CG2 C 19.984 0.076 1 901 80 80 ILE CD1 C 14.765 0.056 1 902 80 80 ILE N N 120.242 0.029 1 903 81 81 ILE H H 8.285 0.003 1 904 81 81 ILE HA H 3.214 0.009 1 905 81 81 ILE HB H 1.859 0.014 1 906 81 81 ILE HG12 H 1.061 0.025 1 907 81 81 ILE HG13 H 1.061 0.025 1 908 81 81 ILE HG2 H 0.953 0.033 1 909 81 81 ILE HD1 H 0.931 0.017 1 910 81 81 ILE C C 178.150 0.000 1 911 81 81 ILE CA C 65.070 0.064 1 912 81 81 ILE CB C 36.970 0.042 1 913 81 81 ILE CG1 C 24.891 0.164 1 914 81 81 ILE CG2 C 19.455 0.200 1 915 81 81 ILE CD1 C 12.916 0.009 1 916 81 81 ILE N N 118.564 0.086 1 917 82 82 LYS H H 8.247 0.011 1 918 82 82 LYS CA C 61.223 0.000 1 919 82 82 LYS N N 119.122 0.195 1 920 83 83 LYS C C 179.219 0.000 1 921 83 83 LYS CA C 62.717 0.000 1 922 83 83 LYS CB C 32.423 0.000 1 923 84 84 PHE H H 8.863 0.004 1 924 84 84 PHE HA H 4.060 0.009 1 925 84 84 PHE HB2 H 2.054 0.014 1 926 84 84 PHE HB3 H 2.054 0.014 1 927 84 84 PHE C C 176.072 0.000 1 928 84 84 PHE CA C 62.743 0.022 1 929 84 84 PHE CB C 37.504 0.093 1 930 84 84 PHE N N 124.247 0.002 1 931 85 85 LYS H H 9.023 0.001 1 932 85 85 LYS HA H 4.105 0.013 1 933 85 85 LYS HB2 H 2.031 0.010 1 934 85 85 LYS HB3 H 2.031 0.010 1 935 85 85 LYS HG2 H 1.396 0.001 1 936 85 85 LYS HG3 H 1.396 0.001 1 937 85 85 LYS HD2 H 1.662 0.002 1 938 85 85 LYS HD3 H 1.662 0.002 1 939 85 85 LYS HE2 H 3.046 0.001 2 940 85 85 LYS HE3 H 2.956 0.023 2 941 85 85 LYS C C 177.762 0.000 1 942 85 85 LYS CA C 61.137 0.039 1 943 85 85 LYS CB C 32.938 0.004 1 944 85 85 LYS CG C 25.328 0.002 1 945 85 85 LYS CD C 28.249 0.002 1 946 85 85 LYS CE C 42.150 0.035 1 947 85 85 LYS N N 121.962 0.002 1 948 86 86 LYS H H 6.994 0.007 1 949 86 86 LYS HA H 4.190 0.019 1 950 86 86 LYS HB2 H 1.891 0.001 1 951 86 86 LYS HB3 H 1.891 0.001 1 952 86 86 LYS HG2 H 1.480 0.000 1 953 86 86 LYS HG3 H 1.481 0.001 1 954 86 86 LYS HD2 H 1.754 0.001 1 955 86 86 LYS HD3 H 1.754 0.001 1 956 86 86 LYS C C 177.812 0.000 1 957 86 86 LYS CA C 58.601 0.117 1 958 86 86 LYS CB C 31.220 0.000 1 959 86 86 LYS CG C 25.361 0.002 1 960 86 86 LYS CD C 29.168 0.002 1 961 86 86 LYS N N 115.212 0.002 1 962 87 87 ASP H H 8.057 0.006 1 963 87 87 ASP HA H 4.410 0.009 1 964 87 87 ASP HB2 H 1.827 0.006 1 965 87 87 ASP HB3 H 1.827 0.006 1 966 87 87 ASP C C 179.758 0.000 1 967 87 87 ASP CA C 58.045 0.017 1 968 87 87 ASP CB C 40.747 0.081 1 969 87 87 ASP N N 120.038 0.053 1 970 88 88 LEU H H 8.581 0.002 1 971 88 88 LEU HA H 4.235 0.013 1 972 88 88 LEU HB2 H 1.852 0.004 1 973 88 88 LEU HB3 H 1.853 0.004 1 974 88 88 LEU HG H 1.477 0.001 1 975 88 88 LEU HD1 H 0.997 0.000 1 976 88 88 LEU HD2 H 0.996 0.001 1 977 88 88 LEU C C 179.370 0.000 1 978 88 88 LEU CA C 57.986 0.161 1 979 88 88 LEU CB C 41.750 0.173 1 980 88 88 LEU CG C 27.397 0.066 1 981 88 88 LEU CD1 C 25.014 0.000 1 982 88 88 LEU CD2 C 25.014 0.000 1 983 88 88 LEU N N 119.178 0.012 1 984 89 89 ALA H H 8.262 0.002 1 985 89 89 ALA HA H 4.160 0.022 1 986 89 89 ALA HB H 1.713 0.017 1 987 89 89 ALA C C 180.794 0.000 1 988 89 89 ALA CA C 55.412 0.090 1 989 89 89 ALA CB C 18.125 0.007 1 990 89 89 ALA N N 121.693 0.013 1 991 90 90 ALA H H 8.158 0.008 1 992 90 90 ALA HA H 4.261 0.014 1 993 90 90 ALA HB H 1.743 0.005 1 994 90 90 ALA C C 180.464 0.000 1 995 90 90 ALA CA C 55.416 0.023 1 996 90 90 ALA CB C 18.148 0.008 1 997 90 90 ALA N N 121.736 0.041 1 998 91 91 MET H H 7.907 0.009 1 999 91 91 MET HG2 H 2.743 0.000 1 1000 91 91 MET HG3 H 2.743 0.000 1 1001 91 91 MET C C 178.033 0.000 1 1002 91 91 MET CA C 60.681 0.000 1 1003 91 91 MET CB C 34.105 0.000 1 1004 91 91 MET CG C 34.585 0.000 1 1005 91 91 MET N N 117.571 0.027 1 1006 92 92 LEU H H 8.285 0.003 1 1007 92 92 LEU HA H 4.359 0.005 1 1008 92 92 LEU HB2 H 1.816 0.004 1 1009 92 92 LEU HB3 H 1.816 0.004 1 1010 92 92 LEU HG H 1.552 0.002 1 1011 92 92 LEU HD1 H 0.991 0.000 1 1012 92 92 LEU HD2 H 0.991 0.000 1 1013 92 92 LEU C C 178.304 0.000 1 1014 92 92 LEU CA C 58.057 0.009 1 1015 92 92 LEU CB C 41.351 0.005 1 1016 92 92 LEU CG C 27.363 0.065 1 1017 92 92 LEU CD1 C 25.030 0.000 1 1018 92 92 LEU CD2 C 25.030 0.000 1 1019 92 92 LEU N N 118.577 0.074 1 1020 93 93 ARG H H 8.128 0.007 1 1021 93 93 ARG HA H 4.162 0.022 1 1022 93 93 ARG HB2 H 2.071 0.010 1 1023 93 93 ARG HB3 H 2.071 0.010 1 1024 93 93 ARG HG2 H 1.699 0.002 1 1025 93 93 ARG HG3 H 1.699 0.002 1 1026 93 93 ARG HD2 H 3.363 0.005 1 1027 93 93 ARG HD3 H 3.363 0.005 1 1028 93 93 ARG C C 179.578 0.000 1 1029 93 93 ARG CA C 59.894 0.121 1 1030 93 93 ARG CB C 30.308 0.141 1 1031 93 93 ARG CG C 27.387 0.000 1 1032 93 93 ARG CD C 43.715 0.033 1 1033 93 93 ARG N N 119.262 0.006 1 1034 94 94 ILE H H 7.889 0.003 1 1035 94 94 ILE HA H 3.827 0.024 1 1036 94 94 ILE HB H 2.330 0.012 1 1037 94 94 ILE HG12 H 1.999 0.006 1 1038 94 94 ILE HG13 H 1.999 0.006 1 1039 94 94 ILE HG2 H 1.138 0.014 1 1040 94 94 ILE HD1 H 1.102 0.014 1 1041 94 94 ILE C C 178.893 0.000 1 1042 94 94 ILE CA C 65.043 0.107 1 1043 94 94 ILE CB C 38.361 0.069 1 1044 94 94 ILE CG1 C 29.339 0.047 1 1045 94 94 ILE CG2 C 17.945 0.097 1 1046 94 94 ILE CD1 C 13.806 0.029 1 1047 94 94 ILE N N 119.867 0.005 1 1048 95 95 ILE H H 7.825 0.003 1 1049 95 95 ILE HA H 3.563 0.006 1 1050 95 95 ILE HB H 2.028 0.015 1 1051 95 95 ILE HG12 H 1.290 0.015 1 1052 95 95 ILE HG13 H 1.291 0.014 1 1053 95 95 ILE HG2 H 0.940 0.008 1 1054 95 95 ILE HD1 H 0.222 0.009 1 1055 95 95 ILE C C 178.108 0.000 1 1056 95 95 ILE CA C 63.052 0.052 1 1057 95 95 ILE CB C 36.995 0.296 1 1058 95 95 ILE CG1 C 28.165 0.206 1 1059 95 95 ILE CG2 C 19.349 0.122 1 1060 95 95 ILE CD1 C 10.940 0.087 1 1061 95 95 ILE N N 119.546 0.002 1 1062 96 96 ASN H H 8.567 0.004 1 1063 96 96 ASN HA H 4.414 0.005 1 1064 96 96 ASN HB2 H 2.848 0.009 1 1065 96 96 ASN HB3 H 2.848 0.009 1 1066 96 96 ASN C C 176.207 0.000 1 1067 96 96 ASN CA C 56.102 0.002 1 1068 96 96 ASN CB C 39.087 0.102 1 1069 96 96 ASN N N 117.077 0.017 1 1070 97 97 ALA H H 7.423 0.009 1 1071 97 97 ALA HA H 4.346 0.008 1 1072 97 97 ALA HB H 1.560 0.008 1 1073 97 97 ALA C C 178.100 0.000 1 1074 97 97 ALA CA C 52.531 0.040 1 1075 97 97 ALA CB C 19.289 0.013 1 1076 97 97 ALA N N 118.369 0.005 1 1077 98 98 ARG H H 7.492 0.003 1 1078 98 98 ARG HA H 4.394 0.009 1 1079 98 98 ARG HB2 H 1.883 0.003 1 1080 98 98 ARG HB3 H 1.883 0.003 1 1081 98 98 ARG HG2 H 1.730 0.001 1 1082 98 98 ARG HG3 H 1.730 0.001 1 1083 98 98 ARG HD2 H 3.264 0.001 1 1084 98 98 ARG HD3 H 3.264 0.001 1 1085 98 98 ARG C C 176.267 0.000 1 1086 98 98 ARG CA C 57.162 0.121 1 1087 98 98 ARG CB C 30.587 0.004 1 1088 98 98 ARG CG C 27.377 0.020 1 1089 98 98 ARG CD C 43.851 0.000 1 1090 98 98 ARG N N 119.551 0.024 1 1091 99 99 LYS H H 8.506 0.002 1 1092 99 99 LYS HA H 4.478 0.016 1 1093 99 99 LYS HB2 H 1.869 0.039 1 1094 99 99 LYS HB3 H 1.869 0.039 1 1095 99 99 LYS C C 176.720 0.000 1 1096 99 99 LYS CA C 55.755 0.092 1 1097 99 99 LYS CB C 33.146 0.133 1 1098 99 99 LYS N N 123.455 0.003 1 1099 100 100 GLU H H 8.586 0.003 1 1100 100 100 GLU HA H 4.395 0.001 1 1101 100 100 GLU HB2 H 2.075 0.010 1 1102 100 100 GLU HB3 H 2.073 0.008 1 1103 100 100 GLU HG2 H 2.327 0.008 1 1104 100 100 GLU HG3 H 2.327 0.008 1 1105 100 100 GLU C C 176.180 0.000 1 1106 100 100 GLU CA C 56.375 0.000 1 1107 100 100 GLU CB C 30.492 0.003 1 1108 100 100 GLU CG C 36.727 0.079 1 1109 100 100 GLU N N 123.366 0.004 1 1110 101 101 LYS H H 8.482 0.001 1 1111 101 101 LYS HA H 4.360 0.013 1 1112 101 101 LYS HB2 H 1.833 0.000 1 1113 101 101 LYS HB3 H 1.833 0.000 1 1114 101 101 LYS HG2 H 1.482 0.001 1 1115 101 101 LYS HG3 H 1.482 0.001 1 1116 101 101 LYS HD2 H 1.733 0.000 1 1117 101 101 LYS HD3 H 1.733 0.000 1 1118 101 101 LYS HE2 H 3.053 0.000 1 1119 101 101 LYS HE3 H 3.053 0.000 1 1120 101 101 LYS C C 176.355 0.000 1 1121 101 101 LYS CA C 56.388 0.071 1 1122 101 101 LYS CB C 33.039 0.001 1 1123 101 101 LYS CG C 25.151 0.002 1 1124 101 101 LYS CD C 28.942 0.003 1 1125 101 101 LYS CE C 42.351 0.001 1 1126 101 101 LYS N N 123.995 0.006 1 1127 102 102 LYS H H 8.366 0.002 1 1128 102 102 LYS HA H 4.365 0.001 1 1129 102 102 LYS HB2 H 1.844 0.000 1 1130 102 102 LYS HB3 H 1.844 0.000 1 1131 102 102 LYS HG2 H 1.482 0.001 1 1132 102 102 LYS HG3 H 1.482 0.001 1 1133 102 102 LYS HD2 H 1.733 0.000 1 1134 102 102 LYS HD3 H 1.733 0.000 1 1135 102 102 LYS HE2 H 3.053 0.000 1 1136 102 102 LYS HE3 H 3.053 0.000 1 1137 102 102 LYS C C 176.327 0.000 1 1138 102 102 LYS CA C 56.426 0.001 1 1139 102 102 LYS CB C 32.951 0.002 1 1140 102 102 LYS CG C 25.350 0.000 1 1141 102 102 LYS CD C 29.440 0.000 1 1142 102 102 LYS CE C 42.263 0.004 1 1143 102 102 LYS N N 123.293 0.021 1 1144 103 103 ARG H H 8.408 0.001 1 1145 103 103 ARG HA H 4.390 0.000 1 1146 103 103 ARG HB2 H 1.883 0.000 1 1147 103 103 ARG HB3 H 1.883 0.000 1 1148 103 103 ARG HG2 H 1.699 0.001 1 1149 103 103 ARG HG3 H 1.699 0.001 1 1150 103 103 ARG HD2 H 3.264 0.000 1 1151 103 103 ARG HD3 H 3.264 0.000 1 1152 103 103 ARG C C 175.362 0.000 1 1153 103 103 ARG CA C 56.278 0.004 1 1154 103 103 ARG CB C 30.812 0.002 1 1155 103 103 ARG CG C 27.018 0.045 1 1156 103 103 ARG CD C 43.314 0.000 1 1157 103 103 ARG N N 123.520 0.007 1 1158 104 104 ARG H H 7.964 0.005 1 1159 104 104 ARG HA H 4.210 0.004 1 1160 104 104 ARG HB2 H 1.880 0.001 2 1161 104 104 ARG HB3 H 1.760 0.009 2 1162 104 104 ARG HG2 H 1.645 0.001 1 1163 104 104 ARG HG3 H 1.645 0.001 1 1164 104 104 ARG HD2 H 3.249 0.001 1 1165 104 104 ARG HD3 H 3.249 0.001 1 1166 104 104 ARG C C 180.869 0.000 1 1167 104 104 ARG CA C 57.615 0.026 1 1168 104 104 ARG CB C 31.357 0.011 1 1169 104 104 ARG CG C 27.193 0.001 1 1170 104 104 ARG CD C 43.389 0.000 1 1171 104 104 ARG N N 127.391 0.003 1 stop_ save_