data_26545 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Prostate associated gene 4 (PAGE4) phosphorylated ; _BMRB_accession_number 26545 _BMRB_flat_file_name bmr26545.str _Entry_type original _Submission_date 2015-03-20 _Accession_date 2015-03-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yanan . . 2 Chen Yihong . . 3 Mooney Steven . . 4 Rajagopalan Krithika . . 5 Bhargava Ajay . . 6 Sacho Elizabeth . . 7 Weninger Keith . . 8 Kulkarni Prakash . . 9 Orban John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 369 "13C chemical shifts" 353 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26544 'Prostate associated gene 4' stop_ _Original_release_date 2016-10-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Phosphorylation-induced Conformational Ensemble Switching in an Intrinsically Disordered Cancer/Testis Antigen ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26242913 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yanan . . 2 Chen Yihong . . 3 Mooney Steven . . 4 Rajagopalan Krithika . . 5 Bhargava Ajay . . 6 Sacho Elizabeth . . 7 Weninger Keith . . 8 Bryan Philip N. . 9 Kulkarni Prakash . . 10 Orban John . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25090 _Page_last 25102 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prostate associated gene 4 phosphorylated' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Prostate associated gene 4 phosphorylated' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Prostate_associated_gene_4_phosphorylated _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MSARVRSRSRGRGDGQEAPD VVAFVAPGESQQEEPPTDNQ DIEPGQEREGXPPIEERKVE GDCQEMDLEKTRSERGDGSD VKEKTPPNPKHAKTKEAGDG QP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 ARG 5 VAL 6 ARG 7 SER 8 ARG 9 SER 10 ARG 11 GLY 12 ARG 13 GLY 14 ASP 15 GLY 16 GLN 17 GLU 18 ALA 19 PRO 20 ASP 21 VAL 22 VAL 23 ALA 24 PHE 25 VAL 26 ALA 27 PRO 28 GLY 29 GLU 30 SER 31 GLN 32 GLN 33 GLU 34 GLU 35 PRO 36 PRO 37 THR 38 ASP 39 ASN 40 GLN 41 ASP 42 ILE 43 GLU 44 PRO 45 GLY 46 GLN 47 GLU 48 ARG 49 GLU 50 GLY 51 TPO 52 PRO 53 PRO 54 ILE 55 GLU 56 GLU 57 ARG 58 LYS 59 VAL 60 GLU 61 GLY 62 ASP 63 CYS 64 GLN 65 GLU 66 MET 67 ASP 68 LEU 69 GLU 70 LYS 71 THR 72 ARG 73 SER 74 GLU 75 ARG 76 GLY 77 ASP 78 GLY 79 SER 80 ASP 81 VAL 82 LYS 83 GLU 84 LYS 85 THR 86 PRO 87 PRO 88 ASN 89 PRO 90 LYS 91 HIS 92 ALA 93 LYS 94 THR 95 LYS 96 GLU 97 ALA 98 GLY 99 ASP 100 GLY 101 GLN 102 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOTHREONINE _BMRB_code TPO _PDB_code TPO _Standard_residue_derivative . _Molecular_mass 199.099 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'bacterial over-expression' . Escherichia coli . . 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 $entity 200 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 100 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaN3 10 mM 'natural abundance' DTT 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCANNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _Sample_label $sample_1 save_ save_15NNOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15NNOE _Sample_label $sample_1 save_ save_CLEANEX-PM_13 _Saveframe_category NMR_applied_experiment _Experiment_name CLEANEX-PM _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' 100 . mM pH 7 . pH pressure 1 . atm temperature 273 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D HNCANNH' 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 'Prostate associated gene 4 phosphorylated' _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 2 2 SER C C 173.935 0 1 2 2 2 SER CA C 58.255 0.007 1 3 2 2 SER CB C 63.951 0.157 1 4 3 3 ALA H H 8.523 0.008 1 5 3 3 ALA HA H 4.114 0.012 1 6 3 3 ALA HB H 1.222 0 1 7 3 3 ALA C C 177.698 0 1 8 3 3 ALA CA C 52.598 0.033 1 9 3 3 ALA CB C 18.987 0.067 1 10 3 3 ALA N N 126.502 0.027 1 11 4 4 ARG H H 8.269 0.005 1 12 4 4 ARG HA H 4.104 0.007 1 13 4 4 ARG HB2 H 1.583 0 1 14 4 4 ARG HB3 H 1.583 0 1 15 4 4 ARG C C 176.47 0 1 16 4 4 ARG CA C 56.316 0.052 1 17 4 4 ARG CB C 30.626 0.08 1 18 4 4 ARG CG C 27.366 0 1 19 4 4 ARG CD C 43.404 0 1 20 4 4 ARG N N 120.707 0.057 1 21 5 5 VAL H H 8.12 0.004 1 22 5 5 VAL HA H 3.877 0.001 1 23 5 5 VAL HB H 1.863 0 1 24 5 5 VAL HG1 H 0.758 0 2 25 5 5 VAL C C 176.353 0 1 26 5 5 VAL CA C 62.319 0.152 1 27 5 5 VAL CB C 32.534 0.103 1 28 5 5 VAL CG1 C 21.108 0 1 29 5 5 VAL N N 122.436 0.036 1 30 6 6 ARG H H 8.432 0.004 1 31 6 6 ARG HA H 4.162 0.019 1 32 6 6 ARG HB2 H 1.629 0 1 33 6 6 ARG HB3 H 1.629 0 1 34 6 6 ARG C C 176.459 0 1 35 6 6 ARG CA C 56.124 0.061 1 36 6 6 ARG CB C 30.626 0.118 1 37 6 6 ARG CG C 27.406 0 1 38 6 6 ARG CD C 43.209 0 1 39 6 6 ARG N N 125.507 0.023 1 40 7 7 SER H H 8.41 0.003 1 41 7 7 SER HA H 4.171 0.058 1 42 7 7 SER HB2 H 3.673 0 1 43 7 7 SER HB3 H 3.673 0 1 44 7 7 SER C C 174.741 0 1 45 7 7 SER CA C 58.556 0.025 1 46 7 7 SER CB C 63.616 0 1 47 7 7 SER N N 117.708 0.026 1 48 8 8 ARG H H 8.454 0.008 1 49 8 8 ARG HA H 4.183 0.021 1 50 8 8 ARG HB2 H 1.893 0 1 51 8 8 ARG HB3 H 1.893 0 1 52 8 8 ARG C C 176.555 0 1 53 8 8 ARG CA C 56.458 0 1 54 8 8 ARG CB C 30.519 0.14 1 55 8 8 ARG CG C 27.406 0 1 56 8 8 ARG CD C 43.326 0 1 57 8 8 ARG N N 123.334 0.034 1 58 9 9 SER H H 8.337 0.006 1 59 9 9 SER HA H 4.216 0.045 1 60 9 9 SER HB2 H 3.663 0 1 61 9 9 SER HB3 H 3.663 0 1 62 9 9 SER C C 174.659 0 1 63 9 9 SER CA C 58.485 0.077 1 64 9 9 SER CB C 63.653 0.18 1 65 9 9 SER N N 117.132 0.044 1 66 10 10 ARG H H 8.4 0.005 1 67 10 10 ARG HA H 4.183 0.021 1 68 10 10 ARG HB2 H 1.697 0 1 69 10 10 ARG HB3 H 1.697 0 1 70 10 10 ARG HG2 H 1.521 0 1 71 10 10 ARG HG3 H 1.521 0 1 72 10 10 ARG C C 176.848 0 1 73 10 10 ARG CA C 56.476 0.052 1 74 10 10 ARG CB C 30.358 0.383 1 75 10 10 ARG CG C 27.249 0 1 76 10 10 ARG CD C 43.209 0 1 77 10 10 ARG N N 123.155 0.009 1 78 11 11 GLY H H 8.427 0.004 1 79 11 11 GLY HA2 H 3.789 0 1 80 11 11 GLY HA3 H 3.789 0 1 81 11 11 GLY C C 174.146 0 1 82 11 11 GLY CA C 45.162 0.025 1 83 11 11 GLY N N 110.006 0.066 1 84 12 12 ARG H H 8.293 0.005 1 85 12 12 ARG HA H 4.137 0.015 1 86 12 12 ARG HB2 H 1.687 0 1 87 12 12 ARG HB3 H 1.687 0 1 88 12 12 ARG HG2 H 1.521 0 1 89 12 12 ARG HG3 H 1.521 0 1 90 12 12 ARG C C 177.179 0 1 91 12 12 ARG CA C 56.397 0.004 1 92 12 12 ARG CB C 30.655 0.042 1 93 12 12 ARG CG C 27.327 0 1 94 12 12 ARG CD C 43.052 0 1 95 12 12 ARG N N 120.679 0.071 1 96 13 13 GLY H H 8.479 0.013 1 97 13 13 GLY HA2 H 3.79 0 1 98 13 13 GLY HA3 H 3.79 0 1 99 13 13 GLY C C 174.124 0 1 100 13 13 GLY CA C 45.245 0.014 1 101 13 13 GLY N N 110 0.048 1 102 14 14 ASP H H 8.136 0.008 1 103 14 14 ASP HA H 4.457 0.002 1 104 14 14 ASP HB2 H 2.528 0 1 105 14 14 ASP HB3 H 2.528 0 1 106 14 14 ASP C C 177.044 0 1 107 14 14 ASP CA C 54.27 0.108 1 108 14 14 ASP CB C 41.009 0.04 1 109 14 14 ASP N N 120.071 0.026 1 110 15 15 GLY H H 8.412 0.011 1 111 15 15 GLY HA2 H 3.775 0 1 112 15 15 GLY HA3 H 3.775 0 1 113 15 15 GLY C C 174.326 0 1 114 15 15 GLY CA C 45.32 0.011 1 115 15 15 GLY N N 109.386 0.043 1 116 16 16 GLN H H 8.095 0.004 1 117 16 16 GLN HA H 4.162 0.01 1 118 16 16 GLN HB2 H 1.903 0 1 119 16 16 GLN HB3 H 1.903 0 1 120 16 16 GLN C C 175.982 0 1 121 16 16 GLN CA C 55.873 0.207 1 122 16 16 GLN CB C 29.433 0.03 1 123 16 16 GLN CG C 33.899 0 1 124 16 16 GLN N N 119.457 0.124 1 125 17 17 GLU H H 8.443 0.009 1 126 17 17 GLU HA H 4.082 0.007 1 127 17 17 GLU HB2 H 1.785 0 1 128 17 17 GLU HB3 H 1.785 0 1 129 17 17 GLU C C 175.87 0 1 130 17 17 GLU CA C 56.289 0.104 1 131 17 17 GLU CB C 30.105 0.065 1 132 17 17 GLU CG C 36.559 0 1 133 17 17 GLU N N 122.24 0.149 1 134 18 18 ALA H H 8.335 0.007 1 135 18 18 ALA HA H 4.417 0 1 136 18 18 ALA CA C 50.441 0 1 137 18 18 ALA CB C 18.136 0 1 138 18 18 ALA N N 126.376 0.066 1 139 19 19 PRO HA H 4.21 0 1 140 19 19 PRO HB2 H 2.059 0 1 141 19 19 PRO HB3 H 2.059 0 1 142 19 19 PRO HG2 H 1.727 0 1 143 19 19 PRO HG3 H 1.727 0 1 144 19 19 PRO HD2 H 3.761 0 1 145 19 19 PRO HD3 H 3.761 0 1 146 19 19 PRO C C 176.582 0 1 147 19 19 PRO CA C 62.852 0.105 1 148 19 19 PRO CB C 31.887 0.022 1 149 19 19 PRO CG C 27.288 0 1 150 19 19 PRO CD C 50.484 0 1 151 20 20 ASP H H 8.31 0.002 1 152 20 20 ASP HA H 4.348 0 1 153 20 20 ASP HB2 H 2.411 0 1 154 20 20 ASP HB3 H 2.411 0 1 155 20 20 ASP C C 176.127 0 1 156 20 20 ASP CA C 54.338 0.037 1 157 20 20 ASP CB C 40.734 0.065 1 158 20 20 ASP N N 120.067 0.086 1 159 21 21 VAL H H 7.933 0.009 1 160 21 21 VAL HA H 3.914 0.002 1 161 21 21 VAL HB H 1.863 0 1 162 21 21 VAL HG1 H 0.749 0 2 163 21 21 VAL C C 176.064 0 1 164 21 21 VAL CA C 62.269 0.012 1 165 21 21 VAL CB C 32.666 0.062 1 166 21 21 VAL CG1 C 21.069 0 1 167 21 21 VAL N N 120.522 0.042 1 168 22 22 VAL H H 8.117 0.002 1 169 22 22 VAL HA H 3.876 0.008 1 170 22 22 VAL HB H 1.834 0 1 171 22 22 VAL HG1 H 0.71 0 2 172 22 22 VAL C C 175.619 0 1 173 22 22 VAL CA C 62.164 0.044 1 174 22 22 VAL CB C 32.545 0.111 1 175 22 22 VAL CG1 C 21.069 0 1 176 22 22 VAL N N 124.773 0.031 1 177 23 23 ALA H H 8.226 0.005 1 178 23 23 ALA HA H 4.098 0.005 1 179 23 23 ALA HB H 1.15 0 1 180 23 23 ALA C C 176.975 0 1 181 23 23 ALA CA C 52.134 0.069 1 182 23 23 ALA CB C 19.172 0.032 1 183 23 23 ALA N N 128.149 0.035 1 184 24 24 PHE H H 8.147 0.008 1 185 24 24 PHE HA H 4.358 0.009 1 186 24 24 PHE HB2 H 2.851 0 1 187 24 24 PHE HB3 H 2.851 0 1 188 24 24 PHE C C 175.023 0 1 189 24 24 PHE CA C 57.841 0.053 1 190 24 24 PHE CB C 39.738 0.074 1 191 24 24 PHE N N 120.821 0.028 1 192 25 25 VAL H H 7.806 0.003 1 193 25 25 VAL HA H 3.768 0.006 1 194 25 25 VAL HB H 1.666 0 1 195 25 25 VAL HG1 H 0.622 0 2 196 25 25 VAL C C 174.55 0 1 197 25 25 VAL CA C 61.303 0.07 1 198 25 25 VAL CB C 33.062 0.064 1 199 25 25 VAL CG1 C 20.912 0 1 200 25 25 VAL N N 125.282 0.038 1 201 26 26 ALA H H 8.307 0.003 1 202 26 26 ALA HA H 4.203 0 1 203 26 26 ALA CA C 50.367 0 1 204 26 26 ALA CB C 17.704 0 1 205 26 26 ALA N N 130.163 0.047 1 206 27 27 PRO HA H 4.181 0 1 207 27 27 PRO HB2 H 2.157 0 1 208 27 27 PRO HB3 H 2.157 0 1 209 27 27 PRO HG2 H 1.775 0 1 210 27 27 PRO HG3 H 1.775 0 1 211 27 27 PRO C C 177.669 0 1 212 27 27 PRO CA C 63.332 0.02 1 213 27 27 PRO CB C 31.863 0.005 1 214 27 27 PRO CG C 27.523 0 1 215 27 27 PRO CD C 50.68 0 1 216 28 28 GLY H H 8.384 0.004 1 217 28 28 GLY HA2 H 3.748 0 1 218 28 28 GLY HA3 H 3.748 0 1 219 28 28 GLY C C 174.262 0 1 220 28 28 GLY CA C 45.313 0.062 1 221 28 28 GLY N N 109.44 0.058 1 222 29 29 GLU H H 8.093 0.013 1 223 29 29 GLU HA H 4.153 0.009 1 224 29 29 GLU HB2 H 1.756 0 1 225 29 29 GLU HB3 H 1.756 0 1 226 29 29 GLU HG2 H 2.01 0 1 227 29 29 GLU HG3 H 2.01 0 1 228 29 29 GLU C C 176.678 0 1 229 29 29 GLU CA C 56.469 0.069 1 230 29 29 GLU CB C 30.195 0.026 1 231 29 29 GLU CG C 36.676 0 1 232 29 29 GLU N N 120.371 0.023 1 233 30 30 SER H H 8.319 0.003 1 234 30 30 SER HA H 4.196 0.043 1 235 30 30 SER HB2 H 3.643 0 1 236 30 30 SER HB3 H 3.643 0 1 237 30 30 SER CA C 58.623 0.039 1 238 30 30 SER CB C 63.756 0.016 1 239 30 30 SER N N 116.772 0.02 1 240 31 31 GLN H H 8.4 0.007 1 241 31 31 GLN HA H 4.158 0.006 1 242 31 31 GLN HB2 H 1.854 0 1 243 31 31 GLN HB3 H 1.854 0 1 244 31 31 GLN HG2 H 2.137 0 1 245 31 31 GLN HG3 H 2.137 0 1 246 31 31 GLN C C 175.735 0 1 247 31 31 GLN CA C 56.111 0.206 1 248 31 31 GLN CB C 30.048 0 1 249 31 31 GLN CG C 33.782 0 1 250 31 31 GLN N N 122.367 0.015 1 251 32 32 GLN H H 8.344 0.01 1 252 32 32 GLN HA H 4.143 0.001 1 253 32 32 GLN HB2 H 1.854 0 1 254 32 32 GLN HB3 H 1.854 0 1 255 32 32 GLN C C 175.698 0 1 256 32 32 GLN CA C 55.728 0.05 1 257 32 32 GLN CB C 29.489 0.164 1 258 32 32 GLN CG C 33.938 0 1 259 32 32 GLN N N 121.895 0.018 1 260 33 33 GLU H H 8.41 0.006 1 261 33 33 GLU HA H 4.115 0.006 1 262 33 33 GLU HB2 H 1.736 0 1 263 33 33 GLU HB3 H 1.736 0 1 264 33 33 GLU C C 176.225 0 1 265 33 33 GLU CA C 56.22 0.026 1 266 33 33 GLU CB C 30.404 0.274 1 267 33 33 GLU CG C 36.402 0 1 268 33 33 GLU N N 122.824 0.046 1 269 34 34 GLU H H 8.434 0.008 1 270 34 34 GLU HA H 4.403 0 1 271 34 34 GLU CA C 54.074 0 1 272 34 34 GLU CB C 29.857 0 1 273 34 34 GLU N N 123.982 0.048 1 274 36 36 PRO HA H 4.338 0 1 275 36 36 PRO HB2 H 2.127 0 1 276 36 36 PRO HB3 H 2.127 0 1 277 36 36 PRO HG2 H 1.824 0 1 278 36 36 PRO HG3 H 1.824 0 1 279 36 36 PRO C C 177.177 0 1 280 36 36 PRO CA C 62.824 0.069 1 281 36 36 PRO CB C 31.996 0.057 1 282 36 36 PRO CG C 27.21 0 1 283 36 36 PRO CD C 50.25 0 1 284 37 37 THR H H 8.244 0.002 1 285 37 37 THR HA H 4.155 0.002 1 286 37 37 THR HB H 3.692 0 1 287 37 37 THR HG2 H 1.032 0 1 288 37 37 THR C C 174.332 0 1 289 37 37 THR CA C 61.652 0.377 1 290 37 37 THR CB C 69.924 0.038 1 291 37 37 THR N N 114.454 0.039 1 292 38 38 ASP H H 8.284 0.005 1 293 38 38 ASP HA H 4.428 0.002 1 294 38 38 ASP HB2 H 2.46 0 1 295 38 38 ASP HB3 H 2.46 0 1 296 38 38 ASP C C 175.861 0 1 297 38 38 ASP CA C 54.12 0.025 1 298 38 38 ASP CB C 41.066 0.015 1 299 38 38 ASP N N 122.611 0.04 1 300 39 39 ASN H H 8.336 0.003 1 301 39 39 ASN HA H 4.485 0 1 302 39 39 ASN HB2 H 2.636 0 1 303 39 39 ASN HB3 H 2.636 0 1 304 39 39 ASN C C 175.267 0 1 305 39 39 ASN CA C 53.244 0.373 1 306 39 39 ASN CB C 38.737 0.013 1 307 39 39 ASN N N 119.418 0.056 1 308 40 40 GLN H H 8.344 0.009 1 309 40 40 GLN HA H 4.119 0.003 1 310 40 40 GLN HB2 H 1.883 0 1 311 40 40 GLN HB3 H 1.883 0 1 312 40 40 GLN C C 175.668 0 1 313 40 40 GLN CA C 55.978 0.024 1 314 40 40 GLN CB C 29.377 0.024 1 315 40 40 GLN CG C 34.055 0 1 316 40 40 GLN N N 120.596 0.097 1 317 41 41 ASP H H 8.308 0.008 1 318 41 41 ASP HA H 4.404 0.018 1 319 41 41 ASP HB2 H 2.45 0 1 320 41 41 ASP HB3 H 2.45 0 1 321 41 41 ASP C C 175.827 0 1 322 41 41 ASP CA C 54.398 0.17 1 323 41 41 ASP CB C 40.79 0.056 1 324 41 41 ASP N N 121.487 0.033 1 325 42 42 ILE H H 7.896 0.005 1 326 42 42 ILE HA H 3.971 0.004 1 327 42 42 ILE HB H 1.648 0 1 328 42 42 ILE HG2 H 0.651 0 1 329 42 42 ILE C C 176.065 0 1 330 42 42 ILE CA C 60.605 0.039 1 331 42 42 ILE CB C 38.838 0.019 1 332 42 42 ILE CG1 C 27.249 0 1 333 42 42 ILE CG2 C 17.666 0 1 334 42 42 ILE CD1 C 12.972 0 1 335 42 42 ILE N N 120.428 0.051 1 336 43 43 GLU H H 8.39 0.009 1 337 43 43 GLU HA H 4.376 0 1 338 43 43 GLU CA C 54.247 0 1 339 43 43 GLU CB C 29.594 0 1 340 43 43 GLU N N 127.153 0.034 1 341 44 44 PRO HA H 4.269 0 1 342 44 44 PRO HB2 H 2.118 0 1 343 44 44 PRO HB3 H 2.118 0 1 344 44 44 PRO HG2 H 1.766 0 1 345 44 44 PRO HG3 H 1.766 0 1 346 44 44 PRO C C 177.695 0 1 347 44 44 PRO CA C 63.627 0.148 1 348 44 44 PRO CB C 31.989 0.083 1 349 44 44 PRO CG C 27.719 0 1 350 44 44 PRO CD C 50.836 0 1 351 45 45 GLY H H 8.549 0.01 1 352 45 45 GLY HA2 H 3.788 0 1 353 45 45 GLY HA3 H 3.788 0 1 354 45 45 GLY C C 174.334 0 1 355 45 45 GLY CA C 45.304 0.044 1 356 45 45 GLY N N 109.938 0.061 1 357 46 46 GLN H H 8.094 0.015 1 358 46 46 GLN HA H 4.164 0.007 1 359 46 46 GLN HB2 H 1.863 0 1 360 46 46 GLN HB3 H 1.863 0 1 361 46 46 GLN HG2 H 2.127 0 1 362 46 46 GLN HG3 H 2.127 0 1 363 46 46 GLN C C 176.022 0 1 364 46 46 GLN CA C 55.708 0.203 1 365 46 46 GLN CB C 29.561 0.155 1 366 46 46 GLN CG C 33.977 0 1 367 46 46 GLN N N 119.687 0.462 1 368 47 47 GLU H H 8.55 0.013 1 369 47 47 GLU HA H 4.098 0.024 1 370 47 47 GLU HB2 H 1.824 0 1 371 47 47 GLU HB3 H 1.824 0 1 372 47 47 GLU HG2 H 2.127 0 1 373 47 47 GLU HG3 H 2.127 0 1 374 47 47 GLU C C 176.295 0 1 375 47 47 GLU CA C 56.633 0.284 1 376 47 47 GLU CB C 29.682 0.148 1 377 47 47 GLU CG C 36.285 0 1 378 47 47 GLU N N 122.434 0.114 1 379 48 48 ARG H H 8.341 0.011 1 380 48 48 ARG HA H 4.169 0.012 1 381 48 48 ARG HB2 H 1.58 0 1 382 48 48 ARG HB3 H 1.58 0 1 383 48 48 ARG C C 176.03 0 1 384 48 48 ARG CA C 56.352 0.128 1 385 48 48 ARG CB C 30.629 0.195 1 386 48 48 ARG CG C 27.014 0 1 387 48 48 ARG CD C 42.974 0 1 388 48 48 ARG N N 122.407 0.261 1 389 49 49 GLU H H 8.481 0.036 1 390 49 49 GLU HA H 4.126 0.007 1 391 49 49 GLU HB2 H 1.81 0 1 392 49 49 GLU HB3 H 1.81 0 1 393 49 49 GLU C C 176.617 0 1 394 49 49 GLU CA C 56.528 0.176 1 395 49 49 GLU CB C 30.703 0.544 1 396 49 49 GLU CG C 36.285 0 1 397 49 49 GLU N N 123.425 0.56 1 398 50 50 GLY H H 8.316 0.004 1 399 50 50 GLY HA2 H 3.715 0 1 400 50 50 GLY HA3 H 3.715 0 1 401 50 50 GLY C C 173.364 0 1 402 50 50 GLY CA C 44.86 0.209 1 403 50 50 GLY N N 110.539 0.036 1 404 51 51 TPO H H 9.256 0.006 1 405 51 51 TPO HA H 4.246 0 1 406 51 51 TPO CA C 61.248 0 1 407 51 51 TPO CB C 72.925 0 1 408 51 51 TPO N N 122.224 0.04 1 409 53 53 PRO HA H 4.259 0 1 410 53 53 PRO C C 176.902 0 1 411 53 53 PRO CA C 62.649 0 1 412 53 53 PRO CB C 31.909 0 1 413 53 53 PRO CG C 27.366 0 1 414 53 53 PRO CD C 50.406 0 1 415 54 54 ILE H H 8.204 0.008 1 416 54 54 ILE HA H 3.888 0.001 1 417 54 54 ILE HB H 1.863 0 1 418 54 54 ILE HG12 H 1.551 0 1 419 54 54 ILE HG13 H 1.551 0 1 420 54 54 ILE HD1 H 0.768 0 1 421 54 54 ILE C C 176.413 0 1 422 54 54 ILE CA C 61.939 0.531 1 423 54 54 ILE CB C 38.615 0.111 1 424 54 54 ILE CG1 C 27.288 0 1 425 54 54 ILE CG2 C 17.939 0 1 426 54 54 ILE CD1 C 13.128 0 1 427 54 54 ILE N N 121.33 0.14 1 428 55 55 GLU H H 8.428 0.009 1 429 55 55 GLU HA H 4.113 0 1 430 55 55 GLU HB2 H 1.766 0 1 431 55 55 GLU HB3 H 1.766 0 1 432 55 55 GLU C C 176.158 0 1 433 55 55 GLU CA C 56.615 0.134 1 434 55 55 GLU CB C 30.275 0.097 1 435 55 55 GLU CG C 36.402 0 1 436 55 55 GLU N N 125.276 0.061 1 437 56 56 GLU H H 8.379 0.022 1 438 56 56 GLU HA H 4.082 0.001 1 439 56 56 GLU HB2 H 1.746 0 1 440 56 56 GLU HB3 H 1.746 0 1 441 56 56 GLU C C 176.192 0 1 442 56 56 GLU CA C 56.461 0.197 1 443 56 56 GLU CB C 30.206 0.115 1 444 56 56 GLU CG C 36.285 0 1 445 56 56 GLU N N 123.442 0.366 1 446 57 57 ARG H H 8.316 0.027 1 447 57 57 ARG HA H 4.128 0.003 1 448 57 57 ARG HB2 H 1.599 0 1 449 57 57 ARG HB3 H 1.599 0 1 450 57 57 ARG HD2 H 3.702 0 1 451 57 57 ARG HD3 H 3.702 0 1 452 57 57 ARG C C 175.997 0 1 453 57 57 ARG CA C 56.375 0.252 1 454 57 57 ARG CB C 30.307 0.179 1 455 57 57 ARG CG C 27.171 0 1 456 57 57 ARG CD C 42.935 0 1 457 57 57 ARG N N 123.457 0.24 1 458 58 58 LYS H H 8.411 0.01 1 459 58 58 LYS HA H 4.146 0.004 1 460 58 58 LYS HB2 H 1.609 0 1 461 58 58 LYS HB3 H 1.609 0 1 462 58 58 LYS HG2 H 1.032 0 1 463 58 58 LYS HG3 H 1.032 0 1 464 58 58 LYS C C 176.446 0 1 465 58 58 LYS CA C 56.412 0.2 1 466 58 58 LYS CB C 32.903 0.068 1 467 58 58 LYS CG C 24.902 0 1 468 58 58 LYS CD C 29.009 0 1 469 58 58 LYS CE C 42.074 0 1 470 58 58 LYS N N 124.394 0.082 1 471 59 59 VAL H H 8.279 0.008 1 472 59 59 VAL HA H 4.185 0.248 1 473 59 59 VAL HB H 1.873 0 1 474 59 59 VAL HG1 H 0.778 0 2 475 59 59 VAL C C 176.131 0 1 476 59 59 VAL CA C 62.143 0.068 1 477 59 59 VAL CB C 32.716 0.168 1 478 59 59 VAL CG1 C 21.03 0 1 479 59 59 VAL N N 122.736 0.094 1 480 60 60 GLU H H 8.483 0.004 1 481 60 60 GLU HA H 4.133 0.011 1 482 60 60 GLU HB2 H 1.805 0 1 483 60 60 GLU HB3 H 1.805 0 1 484 60 60 GLU C C 176.818 0 1 485 60 60 GLU CA C 56.546 0.054 1 486 60 60 GLU CB C 30.256 0.046 1 487 60 60 GLU CG C 36.52 0 1 488 60 60 GLU N N 125.213 0.055 1 489 61 61 GLY H H 8.355 0.005 1 490 61 61 GLY HA2 H 3.816 0 1 491 61 61 GLY HA3 H 3.816 0 1 492 61 61 GLY C C 173.753 0 1 493 61 61 GLY CA C 45.362 0.083 1 494 61 61 GLY N N 110.27 0.043 1 495 62 62 ASP H H 8.198 0.008 1 496 62 62 ASP HA H 4.037 0 1 497 62 62 ASP C C 175.854 0 1 498 62 62 ASP CA C 54.566 0.072 1 499 62 62 ASP CB C 41.244 0.203 1 500 62 62 ASP N N 120.298 0.126 1 501 63 63 CYS H H 8.318 0.006 1 502 63 63 CYS HA H 4.327 0.014 1 503 63 63 CYS HB2 H 2.768 0 1 504 63 63 CYS HB3 H 2.768 0 1 505 63 63 CYS C C 174.79 0 1 506 63 63 CYS CA C 58.93 0.134 1 507 63 63 CYS CB C 27.905 0.029 1 508 63 63 CYS N N 119.72 0 1 509 64 64 GLN H H 8.461 0.005 1 510 64 64 GLN HA H 4.126 0.011 1 511 64 64 GLN HB2 H 1.907 0 1 512 64 64 GLN HB3 H 1.907 0 1 513 64 64 GLN C C 176.171 0 1 514 64 64 GLN CA C 56.756 0.028 1 515 64 64 GLN CB C 29.393 0.103 1 516 64 64 GLN N N 122.787 0 1 517 65 65 GLU H H 8.387 0.01 1 518 65 65 GLU HA H 4.461 0 1 519 65 65 GLU C C 176.069 0 1 520 65 65 GLU CA C 56.728 0 1 521 65 65 GLU CB C 29.496 0 1 522 65 65 GLU N N 121.958 0 1 523 66 66 MET H H 8.273 0.008 1 524 66 66 MET HA H 4.155 0.01 1 525 66 66 MET HB2 H 1.885 0.008 1 526 66 66 MET HB3 H 1.885 0.008 1 527 66 66 MET C C 176.065 0 1 528 66 66 MET CA C 56.13 0 1 529 66 66 MET CB C 32.899 0 1 530 66 66 MET N N 121.092 0 1 531 67 67 ASP H H 8.298 0.011 1 532 67 67 ASP HA H 4.4 0.006 1 533 67 67 ASP HB2 H 2.58 0.036 1 534 67 67 ASP HB3 H 2.58 0.036 1 535 67 67 ASP C C 176.671 0 1 536 67 67 ASP CA C 54.634 0.205 1 537 67 67 ASP CB C 40.824 0.059 1 538 67 67 ASP N N 121.604 0.066 1 539 68 68 LEU H H 8.148 0.008 1 540 68 68 LEU HA H 4.097 0.016 1 541 68 68 LEU HB2 H 1.492 0 1 542 68 68 LEU HB3 H 1.492 0 1 543 68 68 LEU C C 178.27 0 1 544 68 68 LEU CA C 56.156 0.271 1 545 68 68 LEU CB C 41.856 0.039 1 546 68 68 LEU CG C 27.014 0 1 547 68 68 LEU CD1 C 23.807 0 1 548 68 68 LEU N N 123.073 0.038 1 549 69 69 GLU H H 8.251 0.008 1 550 69 69 GLU HA H 3.995 0.01 1 551 69 69 GLU HB2 H 1.893 0 1 552 69 69 GLU HB3 H 1.893 0 1 553 69 69 GLU C C 177.375 0 1 554 69 69 GLU CA C 57.041 0.374 1 555 69 69 GLU CB C 29.708 0.323 1 556 69 69 GLU CG C 36.402 0 1 557 69 69 GLU N N 120.101 0.005 1 558 70 70 LYS H H 7.97 0.007 1 559 70 70 LYS HA H 4.099 0.016 1 560 70 70 LYS HB2 H 1.648 0 1 561 70 70 LYS HB3 H 1.648 0 1 562 70 70 LYS HG2 H 1.257 0 1 563 70 70 LYS HG3 H 1.257 0 1 564 70 70 LYS C C 177.446 0 1 565 70 70 LYS CA C 57.089 0.058 1 566 70 70 LYS CB C 32.587 0.043 1 567 70 70 LYS CG C 24.98 0 1 568 70 70 LYS CD C 29.244 0 1 569 70 70 LYS CE C 42.152 0 1 570 70 70 LYS N N 121.038 0.017 1 571 71 71 THR H H 7.971 0.003 1 572 71 71 THR HA H 4.056 0.008 1 573 71 71 THR HB H 3.692 0 1 574 71 71 THR HG2 H 1.052 0 1 575 71 71 THR C C 175.028 0 1 576 71 71 THR CA C 62.733 0.019 1 577 71 71 THR CB C 69.445 0.08 1 578 71 71 THR N N 114.238 0.03 1 579 72 72 ARG H H 8.157 0.005 1 580 72 72 ARG HA H 4.107 0.006 1 581 72 72 ARG HB2 H 1.678 0 1 582 72 72 ARG HB3 H 1.678 0 1 583 72 72 ARG C C 176.832 0 1 584 72 72 ARG CA C 56.789 0.152 1 585 72 72 ARG CB C 30.56 0.037 1 586 72 72 ARG CG C 27.523 0 1 587 72 72 ARG CD C 41.135 0 1 588 72 72 ARG N N 123.116 0.051 1 589 73 73 SER H H 8.26 0.039 1 590 73 73 SER HA H 4.198 0 1 591 73 73 SER C C 174.901 0 1 592 73 73 SER CA C 58.959 0.011 1 593 73 73 SER CB C 63.65 0.043 1 594 73 73 SER N N 116.83 0.213 1 595 74 74 GLU H H 8.305 0.009 1 596 74 74 GLU HA H 4.147 0.005 1 597 74 74 GLU HB2 H 1.854 0 1 598 74 74 GLU HB3 H 1.854 0 1 599 74 74 GLU C C 176.71 0 1 600 74 74 GLU CA C 56.723 0.064 1 601 74 74 GLU CB C 29.973 0.2 1 602 74 74 GLU CG C 36.637 0 1 603 74 74 GLU N N 122.727 0.047 1 604 75 75 ARG H H 8.251 0.008 1 605 75 75 ARG HA H 4.163 0.001 1 606 75 75 ARG HB2 H 1.746 0 1 607 75 75 ARG HB3 H 1.746 0 1 608 75 75 ARG HG2 H 1.551 0 1 609 75 75 ARG HG3 H 1.551 0 1 610 75 75 ARG C C 177.144 0 1 611 75 75 ARG CA C 56.597 0.113 1 612 75 75 ARG CB C 30.45 0.295 1 613 75 75 ARG CG C 27.249 0 1 614 75 75 ARG CD C 43.404 0 1 615 75 75 ARG N N 121.109 0.031 1 616 76 76 GLY H H 8.312 0.005 1 617 76 76 GLY HA2 H 3.871 0 1 618 76 76 GLY HA3 H 3.871 0 1 619 76 76 GLY C C 174.089 0 1 620 76 76 GLY CA C 45.244 0.102 1 621 76 76 GLY N N 109.569 0.035 1 622 77 77 ASP H H 8.183 0.009 1 623 77 77 ASP HA H 4.441 0.014 1 624 77 77 ASP HB2 H 2.538 0 1 625 77 77 ASP HB3 H 2.538 0 1 626 77 77 ASP C C 177.184 0 1 627 77 77 ASP CA C 54.029 0.129 1 628 77 77 ASP CB C 41.044 0.051 1 629 77 77 ASP N N 120.075 0.015 1 630 78 78 GLY H H 8.442 0.009 1 631 78 78 GLY HA2 H 3.877 0 1 632 78 78 GLY HA3 H 3.877 0 1 633 78 78 GLY C C 174.719 0 1 634 78 78 GLY CA C 45.383 0.028 1 635 78 78 GLY N N 109.66 0.04 1 636 79 79 SER H H 8.18 0.002 1 637 79 79 SER HA H 4.203 0 1 638 79 79 SER C C 174.405 0 1 639 79 79 SER CA C 58.819 0.084 1 640 79 79 SER CB C 63.805 0.008 1 641 79 79 SER N N 115.783 0.042 1 642 80 80 ASP H H 8.399 0.006 1 643 80 80 ASP HA H 4.438 0.013 1 644 80 80 ASP HB2 H 2.46 0 1 645 80 80 ASP HB3 H 2.46 0 1 646 80 80 ASP C C 176.162 0 1 647 80 80 ASP CA C 54.923 0 1 648 80 80 ASP CB C 40.732 0 1 649 80 80 ASP N N 122.042 0.086 1 650 81 81 VAL H H 7.883 0.007 1 651 81 81 VAL HA H 3.89 0.002 1 652 81 81 VAL HB H 1.893 0 1 653 81 81 VAL HG1 H 0.739 0 2 654 81 81 VAL C C 176.283 0 1 655 81 81 VAL CA C 62.485 0.101 1 656 81 81 VAL CB C 32.318 0.008 1 657 81 81 VAL CG1 C 20.99 0 1 658 81 81 VAL N N 120.396 0.058 1 659 82 82 LYS H H 8.265 0.002 1 660 82 82 LYS HA H 4.126 0.004 1 661 82 82 LYS HB2 H 1.59 0 1 662 82 82 LYS HB3 H 1.59 0 1 663 82 82 LYS C C 176.646 0 1 664 82 82 LYS CA C 56.173 0.06 1 665 82 82 LYS CB C 32.816 0.039 1 666 82 82 LYS CG C 24.902 0 1 667 82 82 LYS CD C 29.088 0 1 668 82 82 LYS CE C 42.426 0 1 669 82 82 LYS N N 125.189 0.037 1 670 83 83 GLU H H 8.282 0.01 1 671 83 83 GLU HA H 4.102 0.011 1 672 83 83 GLU HB2 H 1.766 0 1 673 83 83 GLU HB3 H 1.766 0 1 674 83 83 GLU C C 176.359 0 1 675 83 83 GLU CA C 56.549 0.026 1 676 83 83 GLU CB C 29.958 0.13 1 677 83 83 GLU CG C 36.481 0 1 678 83 83 GLU N N 122.179 0.025 1 679 84 84 LYS H H 8.349 0.011 1 680 84 84 LYS HA H 4.162 0.01 1 681 84 84 LYS HB2 H 1.59 0 1 682 84 84 LYS HB3 H 1.59 0 1 683 84 84 LYS C C 176.587 0 1 684 84 84 LYS CA C 56.228 0.232 1 685 84 84 LYS CB C 32.912 0.079 1 686 84 84 LYS CG C 24.941 0 1 687 84 84 LYS CD C 29.283 0 1 688 84 84 LYS CE C 41.88 0 1 689 84 84 LYS N N 123.169 0.013 1 690 85 85 THR H H 8.184 0.002 1 691 85 85 THR HA H 4.335 0 1 692 85 85 THR CA C 60.012 0 1 693 85 85 THR CB C 69.66 0 1 694 85 85 THR N N 118.774 0.049 1 695 87 87 PRO HA H 4.23 0 1 696 87 87 PRO HB2 H 2.088 0 1 697 87 87 PRO HB3 H 2.088 0 1 698 87 87 PRO HG2 H 1.639 0 1 699 87 87 PRO HG3 H 1.639 0 1 700 87 87 PRO C C 176.287 0 1 701 87 87 PRO CA C 62.715 0.03 1 702 87 87 PRO CB C 31.867 0.008 1 703 87 87 PRO CG C 27.445 0 1 704 87 87 PRO CD C 50.132 0 1 705 88 88 ASN H H 8.48 0.002 1 706 88 88 ASN HA H 4.733 0 1 707 88 88 ASN CA C 51.083 0 1 708 88 88 ASN CB C 38.557 0 1 709 88 88 ASN N N 119.948 0.056 1 710 89 89 PRO HA H 4.152 0 1 711 89 89 PRO HB2 H 2.088 0 1 712 89 89 PRO HB3 H 2.088 0 1 713 89 89 PRO C C 173.747 0 1 714 89 89 PRO CA C 63.471 0 1 715 89 89 PRO CB C 31.913 0 1 716 89 89 PRO CG C 27.327 0 1 717 89 89 PRO CD C 51.149 0 1 718 90 90 LYS H H 8.21 0.007 1 719 90 90 LYS HA H 3.979 0.013 1 720 90 90 LYS HB2 H 1.492 0 1 721 90 90 LYS HB3 H 1.492 0 1 722 90 90 LYS C C 176.64 0 1 723 90 90 LYS CA C 56.601 0.034 1 724 90 90 LYS CB C 32.455 0.036 1 725 90 90 LYS CG C 25.254 0 1 726 90 90 LYS CD C 29.44 0 1 727 90 90 LYS CE C 42.622 0 1 728 90 90 LYS N N 120.221 0.073 1 729 91 91 HIS H H 8.039 0.008 1 730 91 91 HIS HA H 4.492 0.007 1 731 91 91 HIS HB2 H 2.92 0 1 732 91 91 HIS HB3 H 2.92 0 1 733 91 91 HIS C C 174.861 0 1 734 91 91 HIS CA C 55.385 0.084 1 735 91 91 HIS CB C 30.2 0.063 1 736 91 91 HIS N N 119.441 0.034 1 737 92 92 ALA H H 8.137 0.01 1 738 92 92 ALA HA H 4.106 0.003 1 739 92 92 ALA HB H 1.189 0 1 740 92 92 ALA C C 177.624 0 1 741 92 92 ALA CA C 52.545 0.114 1 742 92 92 ALA CB C 19.128 0.092 1 743 92 92 ALA N N 125.299 0.058 1 744 93 93 LYS H H 8.356 0.004 1 745 93 93 LYS HA H 4.2 0.019 1 746 93 93 LYS HB2 H 1.629 0 1 747 93 93 LYS HB3 H 1.629 0 1 748 93 93 LYS C C 176.932 0 1 749 93 93 LYS CA C 56.318 0.081 1 750 93 93 LYS CB C 32.889 0.046 1 751 93 93 LYS CG C 24.941 0 1 752 93 93 LYS CD C 29.518 0 1 753 93 93 LYS CE C 41.879 0 1 754 93 93 LYS N N 121.2 0.055 1 755 94 94 THR H H 8.123 0.007 1 756 94 94 THR HA H 4.107 0.023 1 757 94 94 THR HG2 H 1.062 0 1 758 94 94 THR C C 174.412 0 1 759 94 94 THR CA C 61.851 0.196 1 760 94 94 THR CB C 69.811 0.077 1 761 94 94 THR N N 116.338 0.034 1 762 95 95 LYS H H 8.338 0.004 1 763 95 95 LYS HA H 4.113 0.01 1 764 95 95 LYS HB2 H 1.639 0 1 765 95 95 LYS HB3 H 1.639 0 1 766 95 95 LYS C C 176.534 0 1 767 95 95 LYS CA C 56.259 0.186 1 768 95 95 LYS CB C 32.93 0.028 1 769 95 95 LYS CG C 24.746 0 1 770 95 95 LYS N N 123.813 0.246 1 771 96 96 GLU H H 8.445 0.009 1 772 96 96 GLU HA H 4.091 0.002 1 773 96 96 GLU HB2 H 1.805 0 1 774 96 96 GLU HB3 H 1.805 0 1 775 96 96 GLU C C 176.299 0 1 776 96 96 GLU CA C 56.334 0.112 1 777 96 96 GLU CB C 30.227 0.106 1 778 96 96 GLU CG C 36.363 0 1 779 96 96 GLU N N 122.916 0.024 1 780 97 97 ALA H H 8.343 0.008 1 781 97 97 ALA HA H 4.122 0.008 1 782 97 97 ALA HB H 1.238 0 1 783 97 97 ALA C C 178.473 0 1 784 97 97 ALA CA C 52.906 0.025 1 785 97 97 ALA CB C 19.046 0.026 1 786 97 97 ALA N N 125.14 0.045 1 787 98 98 GLY H H 8.3 0.006 1 788 98 98 GLY HA2 H 3.802 0 1 789 98 98 GLY HA3 H 3.802 0 1 790 98 98 GLY C C 174.062 0 1 791 98 98 GLY CA C 45.284 0.073 1 792 98 98 GLY N N 108.173 0.035 1 793 99 99 ASP H H 8.139 0.026 1 794 99 99 ASP HA H 4.446 0.01 1 795 99 99 ASP HB2 H 2.519 0 1 796 99 99 ASP HB3 H 2.519 0 1 797 99 99 ASP C C 177.015 0 1 798 99 99 ASP CA C 54.38 0.144 1 799 99 99 ASP CB C 41.128 0.057 1 800 99 99 ASP N N 120.196 0.074 1 801 100 100 GLY H H 8.357 0.004 1 802 100 100 GLY HA2 H 3.763 0.012 1 803 100 100 GLY HA3 H 3.763 0.012 1 804 100 100 GLY C C 173.968 0 1 805 100 100 GLY CA C 45.281 0.001 1 806 100 100 GLY N N 109.305 0.012 1 807 101 101 GLN H H 8.058 0.005 1 808 101 101 GLN HA H 4.444 0 1 809 101 101 GLN CA C 53.43 0 1 810 101 101 GLN CB C 28.661 0 1 stop_ save_