data_17855 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for high mobility group protein-like protein NHP1 from Babesia bovis T2Bo. Seattle Structure Genomics Center for Infectious Disease (SSGCID) ; _BMRB_accession_number 17855 _BMRB_flat_file_name bmr17855.str _Entry_type new _Submission_date 2011-08-11 _Accession_date 2011-08-11 _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 Barnwal Ravi P. . 2 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 462 "13C chemical shifts" 386 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-31 original author . stop_ _Original_release_date 2011-08-31 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H and 15N Assigned Chemical Shifts for high mobility group protein-like protein NHP1 from Babesia bovis' _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 Barnwal 'Ravi Pratap' . . 2 Varani Gabriele . . stop_ _Journal_abbreviation 'Not known' _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 NHP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NHP1 $NHP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NHP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common high_mobility_group_protein-like_protein_NHP1 _Molecular_mass 11140.849 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MAGASDRTGVRRPRKAKKDP NAPKRALSSYMFFAKEKRVE IIAENPEIAKDVAAIGKMIG AAWNALSDEEKKPYERMSDE DRVRYEREKAEYAQRKV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 ALA 5 SER 6 ASP 7 ARG 8 THR 9 GLY 10 VAL 11 ARG 12 ARG 13 PRO 14 ARG 15 LYS 16 ALA 17 LYS 18 LYS 19 ASP 20 PRO 21 ASN 22 ALA 23 PRO 24 LYS 25 ARG 26 ALA 27 LEU 28 SER 29 SER 30 TYR 31 MET 32 PHE 33 PHE 34 ALA 35 LYS 36 GLU 37 LYS 38 ARG 39 VAL 40 GLU 41 ILE 42 ILE 43 ALA 44 GLU 45 ASN 46 PRO 47 GLU 48 ILE 49 ALA 50 LYS 51 ASP 52 VAL 53 ALA 54 ALA 55 ILE 56 GLY 57 LYS 58 MET 59 ILE 60 GLY 61 ALA 62 ALA 63 TRP 64 ASN 65 ALA 66 LEU 67 SER 68 ASP 69 GLU 70 GLU 71 LYS 72 LYS 73 PRO 74 TYR 75 GLU 76 ARG 77 MET 78 SER 79 ASP 80 GLU 81 ASP 82 ARG 83 VAL 84 ARG 85 TYR 86 GLU 87 ARG 88 GLU 89 LYS 90 ALA 91 GLU 92 TYR 93 ALA 94 GLN 95 ARG 96 LYS 97 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-18 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 2LHJ "Nmr Structure Of The High Mobility Group Protein-Like Protein Nhp1 From Babesia Bovis T2bo (Baboa.00841.A)" 100.00 97 100.00 100.00 7.42e-61 DBJ BAN64348 "high mobility group protein-like protein NHP1 [Babesia bovis]" 100.00 97 98.97 100.00 3.41e-60 DBJ BAN64485 "high mobility group protein-like protein NHP1 [Babesia bovis]" 100.00 97 100.00 100.00 7.42e-61 GB AAA27799 "non-histone protein [Babesia bovis]" 100.00 97 100.00 100.00 7.42e-61 GB EDO05788 "high mobility group protein-like protein NHP1 [Babesia bovis]" 100.00 97 100.00 100.00 7.42e-61 REF XP_001609356 "high mobility group protein-like protein NHP1 [Babesia bovis T2Bo]" 100.00 97 100.00 100.00 7.42e-61 SP P40632 "RecName: Full=High mobility group protein homolog NHP1 [Babesia bovis]" 100.00 97 100.00 100.00 7.42e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NHP1 'Babesia bovis' 5865 Eukaryota . Babesia bovis 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 $NHP1 'recombinant technology' . Escherichia coli . pET28-ava 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 $NHP1 1.2 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NHP1 _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 4.401 0.050 1 2 1 1 MET HB3 H 2.040 0.004 2 3 1 1 MET C C 176.029 0.150 1 4 1 1 MET CA C 55.140 0.150 1 5 1 1 MET CB C 32.479 0.150 1 6 1 1 MET CG C 31.551 0.150 1 7 1 1 MET CE C 20.984 0.150 1 8 2 2 ALA H H 8.260 0.013 1 9 2 2 ALA HA H 4.238 0.016 1 10 2 2 ALA HB H 1.318 0.006 1 11 2 2 ALA C C 178.146 0.150 1 12 2 2 ALA CA C 52.888 0.051 1 13 2 2 ALA CB C 18.962 0.031 1 14 2 2 ALA N N 125.361 0.089 1 15 3 3 GLY H H 8.374 0.007 1 16 3 3 GLY HA2 H 3.839 0.050 2 17 3 3 GLY HA3 H 3.898 0.018 2 18 3 3 GLY C C 174.006 0.150 1 19 3 3 GLY CA C 45.238 0.045 1 20 3 3 GLY N N 108.648 0.014 1 21 4 4 ALA H H 8.080 0.010 1 22 4 4 ALA HA H 4.283 0.006 1 23 4 4 ALA HB H 1.376 0.025 1 24 4 4 ALA C C 178.029 0.150 1 25 4 4 ALA CA C 52.750 0.150 1 26 4 4 ALA CB C 19.367 0.150 1 27 4 4 ALA N N 123.630 0.038 1 28 5 5 SER H H 8.320 0.024 1 29 5 5 SER HA H 4.327 0.050 1 30 5 5 SER HB2 H 3.794 0.050 2 31 5 5 SER C C 174.275 0.150 1 32 5 5 SER CA C 58.498 0.150 1 33 5 5 SER CB C 63.741 0.150 1 34 5 5 SER N N 114.802 0.025 1 35 6 6 ASP H H 8.227 0.006 1 36 6 6 ASP HA H 4.189 0.050 1 37 6 6 ASP HB3 H 2.623 0.050 2 38 6 6 ASP C C 176.279 0.150 1 39 6 6 ASP CA C 54.460 0.150 1 40 6 6 ASP CB C 41.050 0.150 1 41 6 6 ASP N N 122.135 0.152 1 42 7 7 ARG H H 8.295 0.007 1 43 7 7 ARG HA H 4.323 0.010 1 44 7 7 ARG HB2 H 1.775 0.050 2 45 7 7 ARG HB3 H 1.677 0.050 2 46 7 7 ARG HG2 H 1.578 0.014 2 47 7 7 ARG HG3 H 1.502 0.050 2 48 7 7 ARG HD2 H 3.007 0.050 2 49 7 7 ARG HD3 H 3.114 0.001 2 50 7 7 ARG C C 176.632 0.150 1 51 7 7 ARG CA C 56.025 0.053 1 52 7 7 ARG CB C 30.487 0.049 1 53 7 7 ARG CG C 26.875 0.044 1 54 7 7 ARG CD C 43.264 0.049 1 55 7 7 ARG N N 121.235 0.100 1 56 8 8 THR H H 8.145 0.008 1 57 8 8 THR HA H 4.230 0.003 1 58 8 8 THR HB H 4.160 0.001 1 59 8 8 THR HG2 H 1.130 0.001 1 60 8 8 THR C C 175.209 0.150 1 61 8 8 THR CA C 62.392 0.033 1 62 8 8 THR CB C 69.961 0.030 1 63 8 8 THR CG2 C 21.512 0.040 1 64 8 8 THR N N 113.963 0.168 1 65 9 9 GLY H H 8.355 0.012 1 66 9 9 GLY HA2 H 3.979 0.050 2 67 9 9 GLY HA3 H 3.907 0.050 2 68 9 9 GLY C C 173.964 0.150 1 69 9 9 GLY CA C 45.354 0.006 1 70 9 9 GLY N N 111.163 0.128 1 71 10 10 VAL H H 7.883 0.008 1 72 10 10 VAL HA H 4.002 0.010 1 73 10 10 VAL HB H 1.978 0.009 1 74 10 10 VAL HG1 H 0.819 0.050 2 75 10 10 VAL HG2 H 0.834 0.005 2 76 10 10 VAL C C 176.048 0.150 1 77 10 10 VAL CA C 62.386 0.090 1 78 10 10 VAL CB C 32.369 0.027 1 79 10 10 VAL CG1 C 20.281 0.045 2 80 10 10 VAL CG2 C 20.953 0.010 2 81 10 10 VAL N N 119.790 0.146 1 82 11 11 ARG H H 8.396 0.007 1 83 11 11 ARG HA H 4.261 0.005 1 84 11 11 ARG HB3 H 1.794 0.050 2 85 11 11 ARG HG2 H 1.544 0.050 2 86 11 11 ARG HG3 H 1.272 0.050 2 87 11 11 ARG HD2 H 2.952 0.050 2 88 11 11 ARG HD3 H 3.128 0.050 2 89 11 11 ARG C C 175.025 0.150 1 90 11 11 ARG CA C 55.896 0.078 1 91 11 11 ARG CB C 30.519 0.150 1 92 11 11 ARG CG C 26.870 0.150 1 93 11 11 ARG CD C 42.321 0.001 1 94 11 11 ARG N N 125.407 0.098 1 95 12 12 ARG H H 7.984 0.002 1 96 12 12 ARG HA H 4.087 0.013 1 97 12 12 ARG HB2 H 1.667 0.019 2 98 12 12 ARG HB3 H 1.732 0.050 2 99 12 12 ARG HG2 H 1.288 0.021 2 100 12 12 ARG HD2 H 2.881 0.016 2 101 12 12 ARG HD3 H 2.934 0.050 2 102 12 12 ARG C C 181.199 0.150 1 103 12 12 ARG CA C 57.761 0.077 1 104 12 12 ARG CB C 33.772 0.150 1 105 12 12 ARG CG C 24.462 0.035 1 106 12 12 ARG CD C 43.420 0.150 1 107 12 12 ARG N N 128.793 0.022 1 108 14 14 ARG HA H 4.473 0.050 1 109 14 14 ARG HB3 H 1.627 0.050 2 110 14 14 ARG C C 175.214 0.150 1 111 14 14 ARG CA C 57.175 0.150 1 112 14 14 ARG CB C 31.120 0.150 1 113 15 15 LYS H H 8.179 0.013 1 114 15 15 LYS HA H 4.185 0.004 1 115 15 15 LYS HB3 H 2.013 0.050 2 116 15 15 LYS HG2 H 1.323 0.050 2 117 15 15 LYS HG3 H 1.373 0.050 2 118 15 15 LYS HD2 H 1.635 0.050 2 119 15 15 LYS HD3 H 1.576 0.050 2 120 15 15 LYS HE2 H 2.960 0.050 2 121 15 15 LYS HE3 H 3.006 0.050 2 122 15 15 LYS C C 176.129 0.150 1 123 15 15 LYS CA C 56.783 0.037 1 124 15 15 LYS CB C 30.422 0.150 1 125 15 15 LYS CG C 24.522 0.002 1 126 15 15 LYS CD C 29.010 0.013 1 127 15 15 LYS CE C 42.260 0.025 1 128 15 15 LYS N N 121.693 0.045 1 129 16 16 ALA H H 7.983 0.006 1 130 16 16 ALA HA H 4.017 0.050 1 131 16 16 ALA HB H 1.272 0.050 1 132 16 16 ALA CA C 53.744 0.150 1 133 16 16 ALA CB C 19.891 0.150 1 134 16 16 ALA N N 131.808 0.086 1 135 17 17 LYS HA H 4.145 0.050 1 136 17 17 LYS HB3 H 1.899 0.001 2 137 17 17 LYS HG2 H 1.657 0.050 2 138 17 17 LYS HD3 H 1.488 0.050 2 139 17 17 LYS HE3 H 3.001 0.050 2 140 17 17 LYS C C 176.232 0.150 1 141 17 17 LYS CA C 57.035 0.014 1 142 17 17 LYS CB C 30.230 0.031 1 143 17 17 LYS CG C 24.751 0.002 1 144 17 17 LYS CD C 26.608 0.002 1 145 17 17 LYS CE C 43.372 0.022 1 146 18 18 LYS H H 8.367 0.018 1 147 18 18 LYS HA H 4.205 0.050 1 148 18 18 LYS HB3 H 1.620 0.002 2 149 18 18 LYS HG2 H 1.360 0.018 2 150 18 18 LYS HD3 H 1.930 0.050 2 151 18 18 LYS HE3 H 3.457 0.050 2 152 18 18 LYS C C 175.673 0.150 1 153 18 18 LYS CA C 56.050 0.150 1 154 18 18 LYS CB C 29.390 0.150 1 155 18 18 LYS CG C 23.737 0.006 1 156 18 18 LYS CD C 28.402 0.002 1 157 18 18 LYS CE C 42.161 0.150 1 158 18 18 LYS N N 121.461 0.164 1 159 19 19 ASP H H 8.489 0.010 1 160 19 19 ASP HA H 4.579 0.050 1 161 19 19 ASP HB2 H 2.334 0.050 2 162 19 19 ASP HB3 H 1.905 0.050 2 163 19 19 ASP C C 173.684 0.150 1 164 19 19 ASP CA C 51.385 0.150 1 165 19 19 ASP CB C 41.398 0.150 1 166 19 19 ASP N N 123.925 0.066 1 167 20 20 PRO HA H 4.348 0.002 1 168 20 20 PRO HB2 H 2.224 0.005 2 169 20 20 PRO HB3 H 1.904 0.003 2 170 20 20 PRO HG2 H 1.911 0.050 2 171 20 20 PRO HG3 H 1.949 0.050 2 172 20 20 PRO HD2 H 3.589 0.050 2 173 20 20 PRO HD3 H 3.694 0.002 2 174 20 20 PRO C C 176.691 0.150 1 175 20 20 PRO CA C 63.830 0.150 1 176 20 20 PRO CB C 31.821 0.055 1 177 20 20 PRO CG C 27.129 0.032 1 178 20 20 PRO CD C 50.676 0.043 1 179 21 21 ASN H H 8.336 0.010 1 180 21 21 ASN HA H 4.636 0.013 1 181 21 21 ASN HB3 H 2.721 0.050 2 182 21 21 ASN HD21 H 6.960 0.002 2 183 21 21 ASN HD22 H 7.754 0.004 2 184 21 21 ASN C C 173.911 0.150 1 185 21 21 ASN CA C 52.835 0.055 1 186 21 21 ASN CB C 38.651 0.150 1 187 21 21 ASN CG C 177.287 0.150 1 188 21 21 ASN N N 116.715 0.164 1 189 21 21 ASN ND2 N 114.304 0.073 1 190 22 22 ALA H H 7.367 0.005 1 191 22 22 ALA HA H 3.608 0.018 1 192 22 22 ALA HB H 1.148 0.007 1 193 22 22 ALA C C 174.881 0.150 1 194 22 22 ALA CA C 50.640 0.150 1 195 22 22 ALA CB C 17.450 0.150 1 196 22 22 ALA N N 123.293 0.105 1 197 23 23 PRO HA H 4.237 0.001 1 198 23 23 PRO HB3 H 2.227 0.050 2 199 23 23 PRO HG3 H 1.532 0.020 2 200 23 23 PRO HD2 H 3.505 0.050 2 201 23 23 PRO HD3 H 3.560 0.016 2 202 23 23 PRO C C 176.448 0.150 1 203 23 23 PRO CA C 62.503 0.015 1 204 23 23 PRO CB C 31.957 0.150 1 205 23 23 PRO CG C 27.678 0.072 1 206 23 23 PRO CD C 49.540 0.034 1 207 24 24 LYS H H 8.919 0.008 1 208 24 24 LYS HA H 4.150 0.050 1 209 24 24 LYS HB2 H 1.838 0.050 2 210 24 24 LYS HB3 H 1.774 0.006 2 211 24 24 LYS HG2 H 1.464 0.001 2 212 24 24 LYS HG3 H 1.337 0.050 2 213 24 24 LYS HD3 H 1.622 0.003 2 214 24 24 LYS HE3 H 2.897 0.009 2 215 24 24 LYS C C 177.303 0.150 1 216 24 24 LYS CA C 56.453 0.043 1 217 24 24 LYS CB C 32.500 0.150 1 218 24 24 LYS CG C 24.110 0.001 1 219 24 24 LYS CD C 29.149 0.001 1 220 24 24 LYS CE C 42.039 0.018 1 221 24 24 LYS N N 124.044 0.122 1 222 25 25 ARG H H 8.291 0.017 1 223 25 25 ARG HA H 3.276 0.017 1 224 25 25 ARG HB3 H 1.540 0.007 2 225 25 25 ARG HG2 H 1.608 0.009 2 226 25 25 ARG HD2 H 3.124 0.006 2 227 25 25 ARG HD3 H 3.026 0.020 2 228 25 25 ARG C C 175.405 0.150 1 229 25 25 ARG CA C 56.575 0.068 1 230 25 25 ARG CB C 30.420 0.150 1 231 25 25 ARG CG C 26.761 0.004 1 232 25 25 ARG CD C 43.350 0.150 1 233 25 25 ARG N N 122.470 0.082 1 234 26 26 ALA H H 7.288 0.004 1 235 26 26 ALA HA H 4.225 0.013 1 236 26 26 ALA HB H 1.181 0.005 1 237 26 26 ALA C C 177.979 0.150 1 238 26 26 ALA CA C 51.176 0.081 1 239 26 26 ALA CB C 18.815 0.030 1 240 26 26 ALA N N 123.120 0.197 1 241 27 27 LEU H H 9.112 0.016 1 242 27 27 LEU HA H 4.237 0.010 1 243 27 27 LEU HB2 H 1.613 0.031 2 244 27 27 LEU HB3 H 1.618 0.017 2 245 27 27 LEU HG H 1.403 0.010 1 246 27 27 LEU HD1 H 0.771 0.008 2 247 27 27 LEU HD2 H 0.850 0.012 2 248 27 27 LEU C C 177.852 0.150 1 249 27 27 LEU CA C 54.650 0.150 1 250 27 27 LEU CB C 43.055 0.057 1 251 27 27 LEU CG C 26.881 0.040 1 252 27 27 LEU CD1 C 23.524 0.055 2 253 27 27 LEU CD2 C 24.361 0.090 2 254 27 27 LEU N N 125.095 0.177 1 255 28 28 SER H H 7.729 0.011 1 256 28 28 SER HA H 4.574 0.021 1 257 28 28 SER HB2 H 4.078 0.050 2 258 28 28 SER C C 174.751 0.150 1 259 28 28 SER CA C 56.790 0.150 1 260 28 28 SER CB C 65.610 0.150 1 261 28 28 SER N N 117.672 0.124 1 262 29 29 SER H H 9.278 0.007 1 263 29 29 SER HB2 H 3.996 0.050 2 264 29 29 SER CA C 62.082 0.150 1 265 29 29 SER CB C 66.000 0.150 1 266 29 29 SER N N 117.082 0.038 1 267 30 30 TYR HB2 H 2.169 0.050 2 268 30 30 TYR HB3 H 2.412 0.050 2 269 30 30 TYR HD1 H 7.157 0.050 3 270 30 30 TYR HD2 H 7.157 0.050 3 271 30 30 TYR HE1 H 6.863 0.050 3 272 30 30 TYR HE2 H 6.863 0.050 3 273 30 30 TYR C C 176.242 0.150 1 274 30 30 TYR CA C 60.351 0.150 1 275 30 30 TYR CB C 38.014 0.007 1 276 31 31 MET H H 7.521 0.010 1 277 31 31 MET HA H 3.723 0.003 1 278 31 31 MET HB2 H 1.642 0.050 2 279 31 31 MET HB3 H 1.729 0.050 2 280 31 31 MET HG2 H 1.613 0.050 2 281 31 31 MET HE H 1.406 0.021 1 282 31 31 MET C C 180.030 0.150 1 283 31 31 MET CA C 58.301 0.017 1 284 31 31 MET CB C 32.319 0.001 1 285 31 31 MET CG C 29.302 0.002 1 286 31 31 MET CE C 24.141 0.022 1 287 31 31 MET N N 117.154 0.116 1 288 32 32 PHE H H 7.941 0.005 1 289 32 32 PHE HA H 4.152 0.050 1 290 32 32 PHE HB2 H 3.229 0.018 2 291 32 32 PHE HB3 H 3.558 0.009 2 292 32 32 PHE HD1 H 7.342 0.050 3 293 32 32 PHE HD2 H 7.342 0.050 3 294 32 32 PHE HE1 H 7.236 0.021 3 295 32 32 PHE HE2 H 7.236 0.021 3 296 32 32 PHE C C 178.376 0.150 1 297 32 32 PHE CA C 64.323 0.150 1 298 32 32 PHE CB C 39.891 0.054 1 299 32 32 PHE N N 119.460 0.010 1 300 33 33 PHE H H 7.720 0.009 1 301 33 33 PHE HA H 4.831 0.050 1 302 33 33 PHE HB2 H 3.667 0.050 2 303 33 33 PHE HB3 H 3.140 0.050 2 304 33 33 PHE HD1 H 7.392 0.050 3 305 33 33 PHE HD2 H 7.392 0.050 3 306 33 33 PHE HE1 H 7.284 0.011 3 307 33 33 PHE HE2 H 7.284 0.011 3 308 33 33 PHE C C 176.287 0.150 1 309 33 33 PHE CA C 61.411 0.150 1 310 33 33 PHE CB C 39.500 0.150 1 311 33 33 PHE N N 121.930 0.139 1 312 34 34 ALA H H 8.878 0.010 1 313 34 34 ALA HA H 3.350 0.002 1 314 34 34 ALA HB H 0.868 0.003 1 315 34 34 ALA C C 179.211 0.150 1 316 34 34 ALA CA C 54.866 0.009 1 317 34 34 ALA CB C 18.030 0.150 1 318 34 34 ALA N N 121.204 0.105 1 319 35 35 LYS H H 7.435 0.005 1 320 35 35 LYS HA H 3.768 0.007 1 321 35 35 LYS HB3 H 1.800 0.003 2 322 35 35 LYS HG2 H 1.382 0.050 2 323 35 35 LYS HG3 H 1.406 0.050 2 324 35 35 LYS HD3 H 1.500 0.050 2 325 35 35 LYS HE3 H 2.969 0.050 2 326 35 35 LYS C C 178.414 0.150 1 327 35 35 LYS CA C 59.329 0.004 1 328 35 35 LYS CB C 32.354 0.076 1 329 35 35 LYS CG C 24.242 0.022 1 330 35 35 LYS CD C 29.928 0.002 1 331 35 35 LYS CE C 41.728 0.002 1 332 35 35 LYS N N 116.328 0.103 1 333 36 36 GLU H H 6.968 0.007 1 334 36 36 GLU HA H 4.018 0.014 1 335 36 36 GLU HB3 H 2.084 0.006 2 336 36 36 GLU HG3 H 2.250 0.050 2 337 36 36 GLU C C 178.809 0.150 1 338 36 36 GLU CA C 58.501 0.002 1 339 36 36 GLU CB C 30.671 0.002 1 340 36 36 GLU CG C 36.463 0.150 1 341 36 36 GLU N N 118.139 0.163 1 342 37 37 LYS H H 8.609 0.008 1 343 37 37 LYS HA H 3.849 0.012 1 344 37 37 LYS HB3 H 1.717 0.050 2 345 37 37 LYS HG2 H 1.383 0.050 2 346 37 37 LYS HD3 H 1.576 0.050 2 347 37 37 LYS HE3 H 2.918 0.050 2 348 37 37 LYS C C 178.116 0.150 1 349 37 37 LYS CA C 56.310 0.017 1 350 37 37 LYS CB C 31.059 0.058 1 351 37 37 LYS CG C 23.695 0.005 1 352 37 37 LYS CE C 42.269 0.001 1 353 37 37 LYS N N 119.760 0.108 1 354 38 38 ARG H H 8.139 0.009 1 355 38 38 ARG HA H 3.534 0.012 1 356 38 38 ARG HB2 H 1.975 0.050 2 357 38 38 ARG HB3 H 1.687 0.050 2 358 38 38 ARG HG2 H 1.596 0.050 2 359 38 38 ARG HG3 H 1.576 0.050 2 360 38 38 ARG HD3 H 3.100 0.050 2 361 38 38 ARG C C 176.419 0.150 1 362 38 38 ARG CA C 60.423 0.081 1 363 38 38 ARG CB C 29.711 0.150 1 364 38 38 ARG CG C 27.631 0.002 1 365 38 38 ARG CD C 43.052 0.038 1 366 38 38 ARG N N 117.637 0.102 1 367 39 39 VAL H H 6.630 0.011 1 368 39 39 VAL HA H 3.452 0.010 1 369 39 39 VAL HB H 2.065 0.025 1 370 39 39 VAL HG1 H 0.904 0.007 2 371 39 39 VAL HG2 H 0.947 0.050 2 372 39 39 VAL C C 178.274 0.150 1 373 39 39 VAL CA C 65.864 0.073 1 374 39 39 VAL CB C 31.403 0.052 1 375 39 39 VAL CG1 C 21.580 0.018 2 376 39 39 VAL CG2 C 20.727 0.013 2 377 39 39 VAL N N 114.602 0.095 1 378 40 40 GLU H H 6.968 0.007 1 379 40 40 GLU HA H 4.098 0.050 1 380 40 40 GLU HB2 H 2.150 0.050 2 381 40 40 GLU HB3 H 1.944 0.003 2 382 40 40 GLU HG2 H 2.173 0.050 2 383 40 40 GLU HG3 H 2.123 0.050 2 384 40 40 GLU C C 178.557 0.150 1 385 40 40 GLU CA C 58.782 0.150 1 386 40 40 GLU CB C 30.347 0.013 1 387 40 40 GLU CG C 36.403 0.014 1 388 40 40 GLU N N 119.954 0.172 1 389 41 41 ILE H H 8.161 0.009 1 390 41 41 ILE HA H 3.608 0.007 1 391 41 41 ILE HB H 1.744 0.002 1 392 41 41 ILE HG13 H 1.116 0.002 2 393 41 41 ILE HG2 H 0.844 0.001 1 394 41 41 ILE HD1 H 0.687 0.017 1 395 41 41 ILE C C 178.759 0.150 1 396 41 41 ILE CA C 64.939 0.081 1 397 41 41 ILE CB C 38.181 0.021 1 398 41 41 ILE CG1 C 28.948 0.047 1 399 41 41 ILE CG2 C 17.510 0.038 1 400 41 41 ILE CD1 C 14.607 0.054 1 401 41 41 ILE N N 119.352 0.111 1 402 42 42 ILE H H 7.960 0.005 1 403 42 42 ILE HA H 3.526 0.013 1 404 42 42 ILE HB H 1.729 0.003 1 405 42 42 ILE HG13 H 0.867 0.009 2 406 42 42 ILE HG2 H 0.846 0.002 1 407 42 42 ILE HD1 H 0.717 0.006 1 408 42 42 ILE C C 177.379 0.150 1 409 42 42 ILE CA C 64.788 0.035 1 410 42 42 ILE CB C 37.791 0.051 1 411 42 42 ILE CG1 C 29.479 0.051 1 412 42 42 ILE CG2 C 17.190 0.038 1 413 42 42 ILE CD1 C 13.261 0.021 1 414 42 42 ILE N N 118.590 0.037 1 415 43 43 ALA H H 7.521 0.009 1 416 43 43 ALA HA H 4.011 0.005 1 417 43 43 ALA HB H 1.429 0.002 1 418 43 43 ALA C C 179.730 0.150 1 419 43 43 ALA CA C 54.679 0.046 1 420 43 43 ALA CB C 18.070 0.150 1 421 43 43 ALA N N 120.907 0.155 1 422 44 44 GLU H H 7.440 0.006 1 423 44 44 GLU HA H 4.130 0.050 1 424 44 44 GLU HB2 H 1.998 0.006 2 425 44 44 GLU HB3 H 2.048 0.050 2 426 44 44 GLU HG3 H 2.336 0.018 2 427 44 44 GLU C C 176.322 0.150 1 428 44 44 GLU CA C 57.190 0.150 1 429 44 44 GLU CB C 30.584 0.004 1 430 44 44 GLU CG C 36.610 0.150 1 431 44 44 GLU N N 114.602 0.174 1 432 45 45 ASN H H 7.660 0.006 1 433 45 45 ASN HA H 5.082 0.008 1 434 45 45 ASN HB3 H 2.639 0.004 2 435 45 45 ASN HD21 H 7.815 0.003 2 436 45 45 ASN HD22 H 7.154 0.004 2 437 45 45 ASN CA C 50.920 0.150 1 438 45 45 ASN CB C 39.370 0.150 1 439 45 45 ASN CG C 178.294 0.150 1 440 45 45 ASN N N 115.553 0.144 1 441 45 45 ASN ND2 N 114.018 0.083 1 442 46 46 PRO HA H 4.376 0.011 1 443 46 46 PRO HB2 H 2.331 0.003 2 444 46 46 PRO HB3 H 1.876 0.050 2 445 46 46 PRO HG2 H 1.896 0.050 2 446 46 46 PRO HG3 H 1.952 0.014 2 447 46 46 PRO HD3 H 3.564 0.012 2 448 46 46 PRO C C 179.393 0.150 1 449 46 46 PRO CA C 65.282 0.070 1 450 46 46 PRO CB C 31.499 0.001 1 451 46 46 PRO CG C 27.003 0.090 1 452 46 46 PRO CD C 50.470 0.150 1 453 47 47 GLU H H 8.683 0.010 1 454 47 47 GLU HA H 4.103 0.002 1 455 47 47 GLU HB2 H 2.001 0.014 2 456 47 47 GLU HB3 H 2.014 0.001 2 457 47 47 GLU HG3 H 2.502 0.007 2 458 47 47 GLU C C 178.445 0.150 1 459 47 47 GLU CA C 58.400 0.150 1 460 47 47 GLU CB C 28.749 0.024 1 461 47 47 GLU CG C 36.380 0.001 1 462 47 47 GLU N N 116.525 0.048 1 463 48 48 ILE H H 7.682 0.003 1 464 48 48 ILE HA H 4.294 0.002 1 465 48 48 ILE HB H 1.940 0.007 1 466 48 48 ILE HG12 H 1.398 0.010 2 467 48 48 ILE HG2 H 0.844 0.005 1 468 48 48 ILE HD1 H 0.713 0.007 1 469 48 48 ILE C C 176.077 0.150 1 470 48 48 ILE CA C 61.437 0.051 1 471 48 48 ILE CB C 38.990 0.065 1 472 48 48 ILE CG1 C 28.371 0.048 1 473 48 48 ILE CG2 C 17.451 0.013 1 474 48 48 ILE CD1 C 14.019 0.002 1 475 48 48 ILE N N 117.662 0.043 1 476 49 49 ALA H H 7.122 0.004 1 477 49 49 ALA HA H 3.784 0.002 1 478 49 49 ALA HB H 1.409 0.003 1 479 49 49 ALA C C 177.736 0.150 1 480 49 49 ALA CA C 54.854 0.041 1 481 49 49 ALA CB C 19.360 0.150 1 482 49 49 ALA N N 120.407 0.175 1 483 50 50 LYS H H 7.706 0.002 1 484 50 50 LYS HA H 4.242 0.014 1 485 50 50 LYS HB2 H 1.613 0.050 2 486 50 50 LYS HB3 H 1.936 0.003 2 487 50 50 LYS HG2 H 1.449 0.050 2 488 50 50 LYS HD3 H 1.614 0.016 2 489 50 50 LYS HE3 H 2.906 0.050 2 490 50 50 LYS C C 175.920 0.150 1 491 50 50 LYS CA C 56.177 0.029 1 492 50 50 LYS CB C 32.499 0.002 1 493 50 50 LYS CG C 24.543 0.007 1 494 50 50 LYS CD C 29.101 0.001 1 495 50 50 LYS CE C 42.138 0.002 1 496 50 50 LYS N N 112.612 0.086 1 497 51 51 ASP H H 8.055 0.003 1 498 51 51 ASP HA H 4.722 0.050 1 499 51 51 ASP HB2 H 3.113 0.050 2 500 51 51 ASP HB3 H 3.168 0.050 2 501 51 51 ASP C C 174.536 0.150 1 502 51 51 ASP CA C 52.355 0.150 1 503 51 51 ASP CB C 40.551 0.150 1 504 51 51 ASP N N 123.396 0.110 1 505 52 52 VAL H H 7.843 0.006 1 506 52 52 VAL HA H 3.615 0.015 1 507 52 52 VAL HB H 2.063 0.001 1 508 52 52 VAL HG1 H 0.980 0.009 2 509 52 52 VAL C C 178.950 0.150 1 510 52 52 VAL CA C 65.681 0.051 1 511 52 52 VAL CB C 31.770 0.150 1 512 52 52 VAL CG1 C 20.095 0.095 2 513 52 52 VAL CG2 C 20.990 0.150 2 514 52 52 VAL N N 120.835 0.100 1 515 53 53 ALA H H 8.372 0.005 1 516 53 53 ALA HA H 4.222 0.002 1 517 53 53 ALA HB H 1.372 0.050 1 518 53 53 ALA C C 180.394 0.150 1 519 53 53 ALA CA C 54.580 0.150 1 520 53 53 ALA CB C 18.043 0.150 1 521 53 53 ALA N N 124.132 0.149 1 522 54 54 ALA H H 7.791 0.007 1 523 54 54 ALA HA H 3.969 0.001 1 524 54 54 ALA HB H 1.383 0.004 1 525 54 54 ALA C C 181.062 0.150 1 526 54 54 ALA CA C 54.870 0.150 1 527 54 54 ALA CB C 18.112 0.150 1 528 54 54 ALA N N 123.013 0.136 1 529 55 55 ILE H H 8.136 0.004 1 530 55 55 ILE HA H 3.566 0.016 1 531 55 55 ILE HB H 1.759 0.003 1 532 55 55 ILE HG13 H 0.774 0.002 2 533 55 55 ILE HG2 H 0.808 0.003 1 534 55 55 ILE HD1 H 0.717 0.013 1 535 55 55 ILE C C 178.109 0.150 1 536 55 55 ILE CA C 65.708 0.038 1 537 55 55 ILE CB C 38.079 0.042 1 538 55 55 ILE CG1 C 29.382 0.115 1 539 55 55 ILE CG2 C 17.213 0.033 1 540 55 55 ILE CD1 C 13.591 0.025 1 541 55 55 ILE N N 118.818 0.190 1 542 56 56 GLY H H 8.053 0.009 1 543 56 56 GLY HA2 H 3.853 0.050 2 544 56 56 GLY HA3 H 3.725 0.001 2 545 56 56 GLY C C 177.118 0.150 1 546 56 56 GLY CA C 47.440 0.150 1 547 56 56 GLY N N 106.518 0.110 1 548 57 57 LYS H H 7.807 0.013 1 549 57 57 LYS HA H 4.125 0.005 1 550 57 57 LYS HB3 H 1.871 0.001 2 551 57 57 LYS HG2 H 1.388 0.050 2 552 57 57 LYS HG3 H 1.502 0.050 2 553 57 57 LYS HD2 H 1.606 0.050 2 554 57 57 LYS HD3 H 1.500 0.050 2 555 57 57 LYS HE3 H 2.877 0.014 2 556 57 57 LYS C C 179.705 0.150 1 557 57 57 LYS CA C 59.400 0.011 1 558 57 57 LYS CB C 32.426 0.029 1 559 57 57 LYS CG C 24.863 0.079 1 560 57 57 LYS CD C 29.237 0.024 1 561 57 57 LYS CE C 42.108 0.004 1 562 57 57 LYS N N 122.305 0.020 1 563 58 58 MET H H 7.854 0.018 1 564 58 58 MET HA H 4.218 0.002 1 565 58 58 MET HB2 H 2.238 0.010 2 566 58 58 MET HB3 H 2.089 0.014 2 567 58 58 MET HG2 H 1.997 0.001 2 568 58 58 MET C C 179.802 0.150 1 569 58 58 MET CA C 59.812 0.004 1 570 58 58 MET CB C 33.851 0.004 1 571 58 58 MET CG C 30.013 0.150 1 572 58 58 MET CE C 26.769 0.150 1 573 58 58 MET N N 119.935 0.108 1 574 59 59 ILE H H 8.632 0.007 1 575 59 59 ILE HA H 3.554 0.016 1 576 59 59 ILE HB H 1.909 0.016 1 577 59 59 ILE HG13 H 0.459 0.013 2 578 59 59 ILE HG2 H 0.806 0.002 1 579 59 59 ILE HD1 H 0.686 0.002 1 580 59 59 ILE C C 178.066 0.150 1 581 59 59 ILE CA C 66.680 0.033 1 582 59 59 ILE CB C 37.820 0.001 1 583 59 59 ILE CG1 C 29.530 0.031 1 584 59 59 ILE CG2 C 17.501 0.054 1 585 59 59 ILE CD1 C 13.741 0.026 1 586 59 59 ILE N N 122.122 0.044 1 587 60 60 GLY H H 8.380 0.005 1 588 60 60 GLY HA2 H 3.981 0.050 2 589 60 60 GLY C C 176.184 0.150 1 590 60 60 GLY CA C 47.970 0.150 1 591 60 60 GLY N N 107.925 0.039 1 592 61 61 ALA H H 7.935 0.007 1 593 61 61 ALA HA H 4.215 0.002 1 594 61 61 ALA HB H 1.454 0.001 1 595 61 61 ALA C C 180.488 0.150 1 596 61 61 ALA CA C 54.860 0.150 1 597 61 61 ALA CB C 18.090 0.150 1 598 61 61 ALA N N 123.271 0.148 1 599 62 62 ALA H H 7.904 0.005 1 600 62 62 ALA HA H 4.223 0.001 1 601 62 62 ALA HB H 1.789 0.004 1 602 62 62 ALA C C 180.177 0.150 1 603 62 62 ALA CA C 54.542 0.004 1 604 62 62 ALA CB C 17.550 0.150 1 605 62 62 ALA N N 121.397 0.064 1 606 63 63 TRP H H 8.770 0.008 1 607 63 63 TRP HA H 3.746 0.004 1 608 63 63 TRP HB2 H 3.290 0.050 2 609 63 63 TRP HD1 H 7.201 0.050 1 610 63 63 TRP HE1 H 9.972 0.050 1 611 63 63 TRP C C 177.866 0.150 1 612 63 63 TRP CA C 58.910 0.150 1 613 63 63 TRP CB C 30.515 0.150 1 614 63 63 TRP N N 120.631 0.157 1 615 63 63 TRP NE1 N 127.736 0.150 1 616 64 64 ASN H H 7.924 0.004 1 617 64 64 ASN HA H 4.246 0.007 1 618 64 64 ASN HB3 H 2.788 0.002 2 619 64 64 ASN HD21 H 6.862 0.007 2 620 64 64 ASN HD22 H 7.537 0.005 2 621 64 64 ASN C C 175.677 0.150 1 622 64 64 ASN CA C 54.840 0.150 1 623 64 64 ASN CB C 38.329 0.095 1 624 64 64 ASN CG C 176.438 0.150 1 625 64 64 ASN N N 114.453 0.141 1 626 64 64 ASN ND2 N 112.324 0.093 1 627 65 65 ALA H H 7.193 0.005 1 628 65 65 ALA HA H 4.242 0.005 1 629 65 65 ALA HB H 1.423 0.007 1 630 65 65 ALA C C 177.743 0.150 1 631 65 65 ALA CA C 52.050 0.150 1 632 65 65 ALA CB C 19.330 0.150 1 633 65 65 ALA N N 119.396 0.108 1 634 66 66 LEU H H 6.964 0.007 1 635 66 66 LEU HA H 4.267 0.003 1 636 66 66 LEU HB2 H 1.282 0.004 2 637 66 66 LEU HB3 H 1.464 0.050 2 638 66 66 LEU HG H 1.379 0.050 1 639 66 66 LEU HD1 H 0.297 0.013 2 640 66 66 LEU HD2 H 0.319 0.008 2 641 66 66 LEU C C 177.774 0.150 1 642 66 66 LEU CA C 54.709 0.050 1 643 66 66 LEU CB C 43.049 0.047 1 644 66 66 LEU CG C 27.424 0.005 1 645 66 66 LEU CD1 C 23.829 0.037 2 646 66 66 LEU CD2 C 22.739 0.014 2 647 66 66 LEU N N 120.143 0.101 1 648 67 67 SER H H 9.092 0.004 1 649 67 67 SER HA H 4.314 0.020 1 650 67 67 SER HB2 H 3.974 0.006 2 651 67 67 SER C C 174.702 0.150 1 652 67 67 SER CA C 57.010 0.150 1 653 67 67 SER CB C 65.260 0.150 1 654 67 67 SER N N 119.947 0.110 1 655 68 68 ASP H H 8.778 0.007 1 656 68 68 ASP HA H 4.094 0.001 1 657 68 68 ASP HB3 H 2.549 0.001 2 658 68 68 ASP C C 179.528 0.150 1 659 68 68 ASP CA C 58.450 0.150 1 660 68 68 ASP CB C 39.740 0.150 1 661 68 68 ASP N N 120.428 0.038 1 662 69 69 GLU H H 8.390 0.003 1 663 69 69 GLU HA H 3.923 0.022 1 664 69 69 GLU HB3 H 1.926 0.050 2 665 69 69 GLU HG3 H 2.217 0.004 2 666 69 69 GLU C C 179.499 0.150 1 667 69 69 GLU CA C 59.948 0.005 1 668 69 69 GLU CB C 29.365 0.150 1 669 69 69 GLU CG C 36.030 0.001 1 670 69 69 GLU N N 119.236 0.144 1 671 70 70 GLU H H 7.609 0.008 1 672 70 70 GLU HA H 4.018 0.007 1 673 70 70 GLU HB3 H 2.206 0.021 2 674 70 70 GLU HG3 H 2.344 0.005 2 675 70 70 GLU C C 178.005 0.150 1 676 70 70 GLU CA C 58.220 0.009 1 677 70 70 GLU CB C 31.131 0.041 1 678 70 70 GLU CG C 36.308 0.019 1 679 70 70 GLU N N 119.356 0.194 1 680 71 71 LYS H H 7.567 0.003 1 681 71 71 LYS HA H 4.224 0.010 1 682 71 71 LYS HB2 H 1.800 0.002 2 683 71 71 LYS HB3 H 1.600 0.050 2 684 71 71 LYS HG2 H 1.346 0.005 2 685 71 71 LYS HE3 H 2.947 0.050 2 686 71 71 LYS C C 178.211 0.150 1 687 71 71 LYS CA C 58.681 0.022 1 688 71 71 LYS CB C 33.760 0.001 1 689 71 71 LYS CG C 26.750 0.001 1 690 71 71 LYS CD C 29.775 0.150 1 691 71 71 LYS CE C 41.630 0.150 1 692 71 71 LYS N N 116.534 0.029 1 693 72 72 LYS H H 7.253 0.005 1 694 72 72 LYS HA H 4.152 0.004 1 695 72 72 LYS HB3 H 1.837 0.001 2 696 72 72 LYS HG2 H 1.714 0.003 2 697 72 72 LYS HD2 H 1.475 0.005 2 698 72 72 LYS HD3 H 1.683 0.003 2 699 72 72 LYS HE3 H 3.040 0.005 2 700 72 72 LYS C C 175.269 0.150 1 701 72 72 LYS CA C 60.979 0.005 1 702 72 72 LYS CB C 30.250 0.004 1 703 72 72 LYS CG C 25.480 0.150 1 704 72 72 LYS CD C 27.790 0.150 1 705 72 72 LYS CE C 42.110 0.001 1 706 72 72 LYS N N 119.195 0.179 1 707 75 75 GLU HA H 4.088 0.001 1 708 75 75 GLU HB3 H 1.659 0.050 2 709 75 75 GLU HG3 H 2.396 0.050 2 710 75 75 GLU C C 179.125 0.150 1 711 75 75 GLU CA C 59.084 0.058 1 712 75 75 GLU CB C 29.196 0.012 1 713 75 75 GLU CG C 36.312 0.045 1 714 76 76 ARG H H 8.253 0.004 1 715 76 76 ARG HA H 4.094 0.001 1 716 76 76 ARG HB3 H 1.812 0.002 2 717 76 76 ARG HG2 H 1.345 0.001 2 718 76 76 ARG HD2 H 3.228 0.001 2 719 76 76 ARG HD3 H 3.118 0.050 2 720 76 76 ARG C C 179.035 0.150 1 721 76 76 ARG CA C 59.918 0.007 1 722 76 76 ARG CB C 29.111 0.020 1 723 76 76 ARG CG C 25.011 0.017 1 724 76 76 ARG CD C 42.982 0.008 1 725 76 76 ARG N N 120.019 0.119 1 726 77 77 MET H H 7.433 0.002 1 727 77 77 MET HA H 3.597 0.050 1 728 77 77 MET HB2 H 1.865 0.050 2 729 77 77 MET HB3 H 1.798 0.002 2 730 77 77 MET HG2 H 2.004 0.050 2 731 77 77 MET HE H 1.356 0.050 1 732 77 77 MET C C 178.870 0.150 1 733 77 77 MET CA C 59.358 0.066 1 734 77 77 MET CB C 31.310 0.150 1 735 77 77 MET CG C 28.895 0.150 1 736 77 77 MET CE C 24.198 0.016 1 737 77 77 MET N N 117.961 0.118 1 738 78 78 SER H H 7.785 0.006 1 739 78 78 SER HA H 4.395 0.002 1 740 78 78 SER HB2 H 4.047 0.001 2 741 78 78 SER C C 177.133 0.150 1 742 78 78 SER CA C 61.540 0.150 1 743 78 78 SER CB C 63.450 0.150 1 744 78 78 SER N N 114.469 0.089 1 745 79 79 ASP H H 8.646 0.003 1 746 79 79 ASP HA H 4.443 0.009 1 747 79 79 ASP HB3 H 2.716 0.010 2 748 79 79 ASP C C 179.314 0.150 1 749 79 79 ASP CA C 58.210 0.150 1 750 79 79 ASP CB C 40.420 0.150 1 751 79 79 ASP N N 123.968 0.081 1 752 80 80 GLU H H 8.150 0.001 1 753 80 80 GLU HA H 4.025 0.019 1 754 80 80 GLU HB3 H 2.021 0.003 2 755 80 80 GLU HG2 H 2.514 0.011 2 756 80 80 GLU HG3 H 2.673 0.050 2 757 80 80 GLU CA C 59.040 0.008 1 758 80 80 GLU CB C 29.179 0.004 1 759 80 80 GLU CG C 36.350 0.150 1 760 80 80 GLU N N 119.078 0.003 1 761 82 82 ARG HA H 4.045 0.006 1 762 82 82 ARG HB2 H 2.133 0.050 2 763 82 82 ARG HB3 H 2.072 0.050 2 764 82 82 ARG HG2 H 1.583 0.050 2 765 82 82 ARG HD3 H 3.191 0.004 2 766 82 82 ARG C C 178.550 0.150 1 767 82 82 ARG CA C 60.129 0.019 1 768 82 82 ARG CB C 29.087 0.063 1 769 82 82 ARG CG C 27.169 0.001 1 770 82 82 ARG CD C 43.190 0.023 1 771 83 83 VAL H H 7.507 0.004 1 772 83 83 VAL HA H 3.641 0.008 1 773 83 83 VAL HB H 1.782 0.050 1 774 83 83 VAL HG1 H 1.004 0.001 2 775 83 83 VAL HG2 H 0.907 0.003 2 776 83 83 VAL C C 178.543 0.150 1 777 83 83 VAL CA C 66.760 0.150 1 778 83 83 VAL CB C 31.820 0.067 1 779 83 83 VAL CG1 C 21.208 0.030 2 780 83 83 VAL CG2 C 20.599 0.015 2 781 83 83 VAL N N 120.392 0.055 1 782 84 84 ARG H H 7.760 0.011 1 783 84 84 ARG HA H 3.895 0.050 1 784 84 84 ARG HB3 H 1.420 0.006 2 785 84 84 ARG HD2 H 3.229 0.050 2 786 84 84 ARG HD3 H 3.204 0.050 2 787 84 84 ARG C C 178.511 0.150 1 788 84 84 ARG CA C 59.918 0.150 1 789 84 84 ARG CB C 27.160 0.150 1 790 84 84 ARG N N 121.706 0.140 1 791 85 85 TYR H H 8.623 0.004 1 792 85 85 TYR HA H 3.999 0.050 1 793 85 85 TYR HB3 H 3.078 0.050 2 794 85 85 TYR HD1 H 7.162 0.050 3 795 85 85 TYR HD2 H 7.162 0.050 3 796 85 85 TYR HE1 H 6.857 0.050 3 797 85 85 TYR HE2 H 6.857 0.050 3 798 85 85 TYR C C 176.470 0.150 1 799 85 85 TYR CA C 62.040 0.150 1 800 85 85 TYR CB C 38.492 0.009 1 801 85 85 TYR N N 120.911 0.044 1 802 86 86 GLU H H 8.498 0.004 1 803 86 86 GLU HA H 3.624 0.016 1 804 86 86 GLU HB2 H 2.056 0.050 2 805 86 86 GLU HG2 H 2.498 0.050 2 806 86 86 GLU HG3 H 2.398 0.050 2 807 86 86 GLU C C 179.923 0.150 1 808 86 86 GLU CA C 59.600 0.001 1 809 86 86 GLU CB C 28.632 0.002 1 810 86 86 GLU CG C 36.432 0.026 1 811 86 86 GLU N N 117.511 0.116 1 812 87 87 ARG H H 8.129 0.006 1 813 87 87 ARG HA H 4.147 0.050 1 814 87 87 ARG HB2 H 1.816 0.050 2 815 87 87 ARG HB3 H 1.980 0.050 2 816 87 87 ARG HG2 H 1.546 0.004 2 817 87 87 ARG HG3 H 1.500 0.050 2 818 87 87 ARG HD2 H 3.229 0.050 2 819 87 87 ARG HD3 H 3.204 0.050 2 820 87 87 ARG C C 179.061 0.150 1 821 87 87 ARG CA C 59.036 0.012 1 822 87 87 ARG CB C 29.603 0.150 1 823 87 87 ARG CG C 27.070 0.009 1 824 87 87 ARG CD C 43.350 0.013 1 825 87 87 ARG N N 121.403 0.052 1 826 88 88 GLU H H 8.587 0.008 1 827 88 88 GLU HA H 3.950 0.001 1 828 88 88 GLU HB3 H 1.810 0.050 2 829 88 88 GLU HG2 H 2.200 0.050 2 830 88 88 GLU HG3 H 2.253 0.013 2 831 88 88 GLU C C 180.191 0.150 1 832 88 88 GLU CA C 59.998 0.014 1 833 88 88 GLU CB C 29.868 0.002 1 834 88 88 GLU CG C 36.237 0.044 1 835 88 88 GLU N N 119.843 0.160 1 836 89 89 LYS H H 8.931 0.012 1 837 89 89 LYS HA H 3.703 0.009 1 838 89 89 LYS HB3 H 1.455 0.050 2 839 89 89 LYS HG3 H 1.161 0.013 2 840 89 89 LYS HD2 H 1.494 0.050 2 841 89 89 LYS HD3 H 1.388 0.050 2 842 89 89 LYS HE3 H 2.822 0.050 2 843 89 89 LYS C C 178.473 0.150 1 844 89 89 LYS CA C 60.611 0.014 1 845 89 89 LYS CB C 31.982 0.035 1 846 89 89 LYS CG C 24.511 0.016 1 847 89 89 LYS CD C 29.204 0.150 1 848 89 89 LYS CE C 41.938 0.150 1 849 89 89 LYS N N 121.304 0.120 1 850 90 90 ALA H H 7.528 0.002 1 851 90 90 ALA HA H 4.166 0.001 1 852 90 90 ALA HB H 1.443 0.001 1 853 90 90 ALA C C 180.389 0.150 1 854 90 90 ALA CA C 54.920 0.150 1 855 90 90 ALA CB C 17.890 0.150 1 856 90 90 ALA N N 122.242 0.090 1 857 91 91 GLU H H 7.906 0.012 1 858 91 91 GLU HA H 3.991 0.017 1 859 91 91 GLU HB2 H 2.007 0.014 2 860 91 91 GLU HG2 H 2.718 0.050 2 861 91 91 GLU HG3 H 2.411 0.007 2 862 91 91 GLU C C 179.022 0.150 1 863 91 91 GLU CA C 58.940 0.150 1 864 91 91 GLU CB C 29.290 0.010 1 865 91 91 GLU CG C 36.590 0.002 1 866 91 91 GLU N N 118.685 0.164 1 867 92 92 TYR H H 8.382 0.002 1 868 92 92 TYR HA H 4.150 0.016 1 869 92 92 TYR HB3 H 2.985 0.001 2 870 92 92 TYR HD1 H 7.118 0.050 3 871 92 92 TYR HD2 H 7.118 0.050 3 872 92 92 TYR HE1 H 6.789 0.050 3 873 92 92 TYR HE2 H 6.789 0.050 3 874 92 92 TYR C C 177.586 0.150 1 875 92 92 TYR CA C 60.370 0.150 1 876 92 92 TYR CB C 38.611 0.007 1 877 92 92 TYR N N 120.854 0.026 1 878 93 93 ALA H H 7.882 0.023 1 879 93 93 ALA HA H 3.925 0.050 1 880 93 93 ALA HB H 1.426 0.003 1 881 93 93 ALA C C 179.083 0.150 1 882 93 93 ALA CA C 54.350 0.150 1 883 93 93 ALA CB C 18.094 0.150 1 884 93 93 ALA N N 120.312 0.136 1 885 94 94 GLN H H 7.461 0.011 1 886 94 94 GLN HA H 4.150 0.002 1 887 94 94 GLN HB2 H 2.136 0.002 2 888 94 94 GLN HB3 H 2.047 0.050 2 889 94 94 GLN HG2 H 2.311 0.050 2 890 94 94 GLN HG3 H 2.455 0.008 2 891 94 94 GLN HE21 H 7.388 0.001 2 892 94 94 GLN HE22 H 6.794 0.008 2 893 94 94 GLN C C 176.861 0.150 1 894 94 94 GLN CA C 56.680 0.150 1 895 94 94 GLN CB C 28.861 0.004 1 896 94 94 GLN CG C 33.410 0.150 1 897 94 94 GLN CD C 180.306 0.150 1 898 94 94 GLN N N 115.454 0.109 1 899 94 94 GLN NE2 N 111.879 0.131 1 900 95 95 ARG H H 7.558 0.005 1 901 95 95 ARG HA H 4.086 0.011 1 902 95 95 ARG HB3 H 1.746 0.001 2 903 95 95 ARG HG2 H 1.528 0.009 2 904 95 95 ARG HD3 H 3.105 0.002 2 905 95 95 ARG C C 177.083 0.150 1 906 95 95 ARG CA C 57.415 0.039 1 907 95 95 ARG CB C 30.230 0.150 1 908 95 95 ARG CG C 26.990 0.001 1 909 95 95 ARG CD C 43.439 0.001 1 910 95 95 ARG N N 119.645 0.131 1 911 96 96 LYS H H 8.034 0.005 1 912 96 96 LYS HA H 4.204 0.018 1 913 96 96 LYS HB2 H 1.765 0.005 2 914 96 96 LYS HB3 H 1.685 0.001 2 915 96 96 LYS HG2 H 1.338 0.010 2 916 96 96 LYS HD2 H 1.589 0.004 2 917 96 96 LYS HD3 H 1.532 0.009 2 918 96 96 LYS HE2 H 3.014 0.050 2 919 96 96 LYS HE3 H 2.951 0.050 2 920 96 96 LYS C C 176.876 0.150 1 921 96 96 LYS CA C 56.921 0.004 1 922 96 96 LYS CB C 32.500 0.001 1 923 96 96 LYS CG C 24.511 0.005 1 924 96 96 LYS CD C 29.030 0.001 1 925 96 96 LYS CE C 42.240 0.150 1 926 96 96 LYS N N 120.741 0.124 1 927 97 97 VAL H H 8.189 0.004 1 928 97 97 VAL HA H 4.168 0.003 1 929 97 97 VAL HB H 1.927 0.050 1 930 97 97 VAL HG1 H 1.344 0.050 2 931 97 97 VAL HG2 H 1.287 0.050 2 932 97 97 VAL C C 175.985 0.150 1 933 97 97 VAL CA C 56.421 0.015 1 934 97 97 VAL CB C 29.089 0.150 1 935 97 97 VAL CG1 C 24.877 0.017 2 936 97 97 VAL CG2 C 24.193 0.007 2 937 97 97 VAL N N 120.289 0.055 1 stop_ save_