data_25607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment of HA, HB, HN, CA, CB, C' and N of human Androgen Receptor-25Q ; _BMRB_accession_number 25607 _BMRB_flat_file_name bmr25607.str _Entry_type original _Submission_date 2015-05-12 _Accession_date 2015-05-12 _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 Eftekharzadeh Bahareh . . 2 Piai Alessandro . . 3 Chiesa Giulio . . 4 Garcia Jesus . . 5 Pierattelli Roberta . . 6 Felli Isabella C. . 7 Salvatella Xavier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 528 "13C chemical shifts" 431 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25606 'human Androgen Receptor-4Q, at 278K' 25608 'human Androgen Receptor-4Q, at 308K' stop_ _Original_release_date 2015-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence Context Influences the Structure and Aggregation Behavior of a PolyQ Tract ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27276254 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eftekharzadeh Bahareh . . 2 Piai Alessandro . . 3 Chiesa Giulio . . 4 Garcia Jesus . . 5 Pierattelli Roberta . . 6 Felli Isabella C. . 7 Salvatella Xavier . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 110 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2361 _Page_last 2366 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AR-25Q _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AR-25Q $AR-25Q stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AR-25Q _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AR-25Q _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; GMEVQLGLGRVYPRPPSKTY RGAFQNLFQSVREVIQNPGP RHPEAASAAPPGASLLLLQQ QQQQQQQQQQQQQQQQQQQQ QQQETSPRQQQQQQGEDGSP QAHRRGPTGYLVLDEEQQPS QPQSALECHPERGCVPEPGA AVAASKGLPQQLPAPP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 GLU 4 VAL 5 GLN 6 LEU 7 GLY 8 LEU 9 GLY 10 ARG 11 VAL 12 TYR 13 PRO 14 ARG 15 PRO 16 PRO 17 SER 18 LYS 19 THR 20 TYR 21 ARG 22 GLY 23 ALA 24 PHE 25 GLN 26 ASN 27 LEU 28 PHE 29 GLN 30 SER 31 VAL 32 ARG 33 GLU 34 VAL 35 ILE 36 GLN 37 ASN 38 PRO 39 GLY 40 PRO 41 ARG 42 HIS 43 PRO 44 GLU 45 ALA 46 ALA 47 SER 48 ALA 49 ALA 50 PRO 51 PRO 52 GLY 53 ALA 54 SER 55 LEU 56 LEU 57 LEU 58 LEU 59 GLN 60 GLN 61 GLN 62 GLN 63 GLN 64 GLN 65 GLN 66 GLN 67 GLN 68 GLN 69 GLN 70 GLN 71 GLN 72 GLN 73 GLN 74 GLN 75 GLN 76 GLN 77 GLN 78 GLN 79 GLN 80 GLN 81 GLN 82 GLN 83 GLN 84 GLU 85 THR 86 SER 87 PRO 88 ARG 89 GLN 90 GLN 91 GLN 92 GLN 93 GLN 94 GLN 95 GLY 96 GLU 97 ASP 98 GLY 99 SER 100 PRO 101 GLN 102 ALA 103 HIS 104 ARG 105 ARG 106 GLY 107 PRO 108 THR 109 GLY 110 TYR 111 LEU 112 VAL 113 LEU 114 ASP 115 GLU 116 GLU 117 GLN 118 GLN 119 PRO 120 SER 121 GLN 122 PRO 123 GLN 124 SER 125 ALA 126 LEU 127 GLU 128 CYS 129 HIS 130 PRO 131 GLU 132 ARG 133 GLY 134 CYS 135 VAL 136 PRO 137 GLU 138 PRO 139 GLY 140 ALA 141 ALA 142 VAL 143 ALA 144 ALA 145 SER 146 LYS 147 GLY 148 LEU 149 PRO 150 GLN 151 GLN 152 LEU 153 PRO 154 ALA 155 PRO 156 PRO 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 _Gene_mnemonic $AR-25Q Human 9606 Eukaryota Metazoa Homo sapiens 'Androgen Receptor' 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 $AR-25Q 'recombinant technology' . Escherichia coli DE3 pDEST-HisMBP 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 $AR-25Q 0.4 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_CON-IPAP_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON-IPAP' _Sample_label $sample_1 save_ save_4D_HCBCACON-IPAP_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCBCACON-IPAP' _Sample_label $sample_1 save_ save_4D_HCBCANCO-IPAP_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCBCANCO-IPAP' _Sample_label $sample_1 save_ save_4D_(HN)CON(CA)CON_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (HN)CON(CA)CON' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_4D_TROSY_HN(COCA)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D TROSY HN(COCA)NNH' _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 7.4 . pH temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D CON-IPAP' '4D HCBCACON-IPAP' '4D HCBCANCO-IPAP' '4D (HN)CON(CA)CON' '3D TROSY HNCO' '3D TROSY HN(CA)CO' '4D TROSY HN(COCA)NNH' 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 AR-25Q _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 GLY HA2 H 3.85 0.01 1 2 1 1 GLY HA3 H 3.85 0.01 1 3 1 1 GLY C C 170.68 0.05 1 4 1 1 GLY CA C 43.45 0.05 1 5 2 2 MET HA H 4.48 0.01 1 6 2 2 MET HB2 H 2.08 0.01 2 7 2 2 MET HB3 H 1.99 0.01 2 8 2 2 MET C C 176.23 0.05 1 9 2 2 MET CA C 55.56 0.05 1 10 2 2 MET CB C 32.73 0.05 1 11 2 2 MET N N 120.00 0.03 1 12 3 3 GLU H H 8.86 0.01 1 13 3 3 GLU HA H 4.28 0.01 1 14 3 3 GLU HB2 H 2.02 0.01 2 15 3 3 GLU HB3 H 1.94 0.01 2 16 3 3 GLU C C 176.61 0.05 1 17 3 3 GLU CA C 56.90 0.05 1 18 3 3 GLU CB C 29.85 0.05 1 19 3 3 GLU N N 123.23 0.03 1 20 4 4 VAL H H 8.38 0.01 1 21 4 4 VAL HA H 4.03 0.01 1 22 4 4 VAL HB H 2.03 0.01 1 23 4 4 VAL C C 176.23 0.05 1 24 4 4 VAL CA C 62.63 0.05 1 25 4 4 VAL CB C 32.71 0.05 1 26 4 4 VAL N N 122.49 0.03 1 27 5 5 GLN H H 8.60 0.01 1 28 5 5 GLN HA H 4.33 0.01 1 29 5 5 GLN HB2 H 2.07 0.01 2 30 5 5 GLN HB3 H 1.99 0.01 2 31 5 5 GLN C C 175.97 0.05 1 32 5 5 GLN CA C 55.65 0.05 1 33 5 5 GLN CB C 29.40 0.05 1 34 5 5 GLN N N 124.85 0.03 1 35 6 6 LEU H H 8.53 0.01 1 36 6 6 LEU HA H 4.33 0.01 1 37 6 6 LEU HB2 H 1.68 0.01 2 38 6 6 LEU HB3 H 1.55 0.01 2 39 6 6 LEU C C 178.07 0.05 1 40 6 6 LEU CA C 55.36 0.05 1 41 6 6 LEU CB C 42.45 0.05 1 42 6 6 LEU N N 124.38 0.03 1 43 7 7 GLY H H 8.56 0.01 1 44 7 7 GLY HA2 H 3.93 0.01 1 45 7 7 GLY HA3 H 3.93 0.01 1 46 7 7 GLY C C 174.39 0.05 1 47 7 7 GLY CA C 45.36 0.05 1 48 7 7 GLY N N 109.61 0.03 1 49 8 8 LEU H H 8.28 0.01 1 50 8 8 LEU HA H 4.32 0.01 1 51 8 8 LEU HB2 H 1.67 0.01 2 52 8 8 LEU HB3 H 1.67 0.01 2 53 8 8 LEU C C 178.18 0.05 1 54 8 8 LEU CA C 55.35 0.05 1 55 8 8 LEU CB C 42.17 0.05 1 56 8 8 LEU N N 121.64 0.03 1 57 9 9 GLY H H 8.59 0.01 1 58 9 9 GLY HA2 H 3.91 0.01 1 59 9 9 GLY HA3 H 3.91 0.01 1 60 9 9 GLY C C 173.88 0.05 1 61 9 9 GLY CA C 45.19 0.05 1 62 9 9 GLY N N 109.70 0.03 1 63 10 10 ARG H H 8.14 0.01 1 64 10 10 ARG HA H 4.25 0.01 1 65 10 10 ARG HB2 H 1.67 0.01 2 66 10 10 ARG HB3 H 1.67 0.01 2 67 10 10 ARG C C 175.73 0.05 1 68 10 10 ARG CA C 55.85 0.05 1 69 10 10 ARG CB C 30.92 0.05 1 70 10 10 ARG N N 120.78 0.03 1 71 11 11 VAL H H 8.26 0.01 1 72 11 11 VAL HA H 4.10 0.01 1 73 11 11 VAL HB H 1.92 0.01 1 74 11 11 VAL C C 175.59 0.05 1 75 11 11 VAL CA C 61.79 0.05 1 76 11 11 VAL CB C 33.10 0.05 1 77 11 11 VAL N N 122.20 0.03 1 78 12 12 TYR H H 8.60 0.01 1 79 12 12 TYR HA H 4.81 0.01 1 80 12 12 TYR HB2 H 3.06 0.01 2 81 12 12 TYR HB3 H 2.78 0.01 2 82 12 12 TYR C C 173.75 0.05 1 83 12 12 TYR CA C 55.77 0.05 1 84 12 12 TYR CB C 38.33 0.05 1 85 12 12 TYR N N 126.37 0.03 1 86 13 13 PRO N N 136.65 0.03 1 87 14 14 ARG HA H 4.59 0.01 1 88 14 14 ARG C C 174.02 0.05 1 89 14 14 ARG CA C 53.96 0.05 1 90 15 15 PRO HA H 4.70 0.01 1 91 15 15 PRO HB2 H 2.37 0.01 2 92 15 15 PRO HB3 H 2.37 0.01 2 93 15 15 PRO C C 174.68 0.05 1 94 15 15 PRO CA C 61.45 0.05 1 95 15 15 PRO CB C 30.79 0.05 1 96 15 15 PRO N N 138.80 0.03 1 97 16 16 PRO HA H 4.45 0.01 1 98 16 16 PRO HB2 H 2.31 0.01 2 99 16 16 PRO HB3 H 1.91 0.01 2 100 16 16 PRO C C 176.99 0.05 1 101 16 16 PRO CA C 62.84 0.05 1 102 16 16 PRO CB C 32.05 0.05 1 103 16 16 PRO N N 135.62 0.03 1 104 17 17 SER H H 8.61 0.01 1 105 17 17 SER HA H 4.41 0.01 1 106 17 17 SER HB2 H 3.86 0.01 2 107 17 17 SER HB3 H 3.86 0.01 2 108 17 17 SER C C 174.86 0.05 1 109 17 17 SER CA C 58.32 0.05 1 110 17 17 SER CB C 63.84 0.05 1 111 17 17 SER N N 116.76 0.03 1 112 18 18 LYS H H 8.66 0.01 1 113 18 18 LYS HA H 4.36 0.01 1 114 18 18 LYS HB2 H 1.75 0.01 2 115 18 18 LYS HB3 H 1.75 0.01 2 116 18 18 LYS C C 176.67 0.05 1 117 18 18 LYS CA C 56.59 0.05 1 118 18 18 LYS CB C 33.06 0.05 1 119 18 18 LYS N N 123.70 0.03 1 120 19 19 THR H H 8.24 0.01 1 121 19 19 THR HB H 4.11 0.01 1 122 19 19 THR C C 174.09 0.05 1 123 19 19 THR CB C 69.92 0.05 1 124 19 19 THR N N 115.18 0.03 1 125 20 20 TYR H H 8.39 0.01 1 126 20 20 TYR HA H 4.54 0.01 1 127 20 20 TYR HB2 H 2.98 0.01 2 128 20 20 TYR HB3 H 2.98 0.01 2 129 20 20 TYR C C 175.62 0.05 1 130 20 20 TYR CA C 58.01 0.05 1 131 20 20 TYR CB C 38.77 0.05 1 132 20 20 TYR N N 123.82 0.03 1 133 21 21 ARG H H 8.47 0.01 1 134 21 21 ARG HA H 4.26 0.01 1 135 21 21 ARG C C 176.27 0.05 1 136 21 21 ARG CA C 55.87 0.05 1 137 21 21 ARG N N 124.69 0.03 1 138 22 22 GLY H H 7.74 0.01 1 139 22 22 GLY HA2 H 3.85 0.01 1 140 22 22 GLY HA3 H 3.85 0.01 1 141 22 22 GLY C C 173.56 0.05 1 142 22 22 GLY CA C 45.06 0.05 1 143 22 22 GLY N N 109.29 0.03 1 144 23 23 ALA H H 8.28 0.01 1 145 23 23 ALA HA H 4.24 0.01 1 146 23 23 ALA HB H 1.34 0.01 1 147 23 23 ALA C C 177.82 0.05 1 148 23 23 ALA CA C 52.62 0.05 1 149 23 23 ALA CB C 19.20 0.05 1 150 23 23 ALA N N 123.41 0.03 1 151 24 24 PHE H H 8.37 0.01 1 152 24 24 PHE HA H 4.55 0.01 1 153 24 24 PHE HB2 H 3.14 0.01 2 154 24 24 PHE HB3 H 3.03 0.01 2 155 24 24 PHE C C 175.78 0.05 1 156 24 24 PHE CA C 57.91 0.05 1 157 24 24 PHE CB C 39.20 0.05 1 158 24 24 PHE N N 119.41 0.03 1 159 25 25 GLN H H 8.28 0.01 1 160 25 25 GLN HA H 4.20 0.01 1 161 25 25 GLN HB2 H 2.00 0.01 2 162 25 25 GLN HB3 H 1.88 0.01 2 163 25 25 GLN C C 175.21 0.05 1 164 25 25 GLN CA C 55.83 0.05 1 165 25 25 GLN CB C 29.49 0.05 1 166 25 25 GLN N N 121.81 0.03 1 167 26 26 ASN H H 8.47 0.01 1 168 26 26 ASN HA H 4.58 0.01 1 169 26 26 ASN HB2 H 2.78 0.01 2 170 26 26 ASN HB3 H 2.68 0.01 2 171 26 26 ASN C C 175.23 0.05 1 172 26 26 ASN CA C 53.25 0.05 1 173 26 26 ASN CB C 38.66 0.05 1 174 26 26 ASN N N 119.73 0.03 1 175 27 27 LEU H H 8.26 0.01 1 176 27 27 LEU HA H 4.22 0.01 1 177 27 27 LEU C C 177.22 0.05 1 178 27 27 LEU CA C 55.42 0.05 1 179 27 27 LEU N N 122.53 0.03 1 180 28 28 PHE H H 8.28 0.01 1 181 28 28 PHE HA H 4.57 0.01 1 182 28 28 PHE HB2 H 3.11 0.01 2 183 28 28 PHE HB3 H 3.00 0.01 2 184 28 28 PHE C C 175.65 0.05 1 185 28 28 PHE CA C 57.82 0.05 1 186 28 28 PHE CB C 39.19 0.05 1 187 28 28 PHE N N 120.22 0.03 1 188 29 29 GLN H H 8.23 0.01 1 189 29 29 GLN HA H 4.30 0.01 1 190 29 29 GLN HB2 H 2.05 0.01 2 191 29 29 GLN HB3 H 1.91 0.01 2 192 29 29 GLN C C 175.55 0.05 1 193 29 29 GLN CA C 55.63 0.05 1 194 29 29 GLN CB C 29.68 0.05 1 195 29 29 GLN N N 121.82 0.03 1 196 30 30 SER H H 8.43 0.01 1 197 30 30 SER HA H 4.40 0.01 1 198 30 30 SER HB2 H 3.86 0.01 2 199 30 30 SER HB3 H 3.86 0.01 2 200 30 30 SER C C 174.58 0.05 1 201 30 30 SER CA C 58.46 0.05 1 202 30 30 SER CB C 63.73 0.05 1 203 30 30 SER N N 117.72 0.03 1 204 31 31 VAL H H 8.32 0.01 1 205 31 31 VAL HA H 4.11 0.01 1 206 31 31 VAL HB H 2.09 0.01 1 207 31 31 VAL C C 176.15 0.05 1 208 31 31 VAL CA C 62.40 0.05 1 209 31 31 VAL CB C 32.75 0.05 1 210 31 31 VAL N N 122.20 0.03 1 211 32 32 ARG H H 8.47 0.01 1 212 32 32 ARG HA H 4.29 0.01 1 213 32 32 ARG HB2 H 1.80 0.01 2 214 32 32 ARG HB3 H 1.71 0.01 2 215 32 32 ARG C C 176.14 0.05 1 216 32 32 ARG CA C 56.13 0.05 1 217 32 32 ARG CB C 30.89 0.05 1 218 32 32 ARG N N 125.09 0.03 1 219 33 33 GLU H H 8.50 0.01 1 220 33 33 GLU HA H 4.26 0.01 1 221 33 33 GLU HB2 H 1.99 0.01 2 222 33 33 GLU HB3 H 1.99 0.01 2 223 33 33 GLU C C 176.20 0.05 1 224 33 33 GLU CA C 56.43 0.05 1 225 33 33 GLU CB C 30.33 0.05 1 226 33 33 GLU N N 123.05 0.03 1 227 34 34 VAL H H 8.42 0.01 1 228 34 34 VAL HA H 4.03 0.01 1 229 34 34 VAL HB H 2.00 0.01 1 230 34 34 VAL C C 176.14 0.05 1 231 34 34 VAL CA C 62.46 0.05 1 232 34 34 VAL CB C 32.79 0.05 1 233 34 34 VAL N N 123.15 0.03 1 234 35 35 ILE H H 8.43 0.01 1 235 35 35 ILE HA H 4.12 0.01 1 236 35 35 ILE HB H 1.81 0.01 1 237 35 35 ILE C C 176.18 0.05 1 238 35 35 ILE CA C 60.89 0.05 1 239 35 35 ILE CB C 38.39 0.05 1 240 35 35 ILE N N 126.45 0.03 1 241 36 36 GLN H H 8.66 0.01 1 242 36 36 GLN HA H 4.27 0.01 1 243 36 36 GLN HB2 H 2.03 0.01 2 244 36 36 GLN HB3 H 1.90 0.01 2 245 36 36 GLN C C 175.32 0.05 1 246 36 36 GLN CA C 55.51 0.05 1 247 36 36 GLN CB C 29.48 0.05 1 248 36 36 GLN N N 125.62 0.03 1 249 37 37 ASN H H 8.71 0.01 1 250 37 37 ASN HA H 4.94 0.01 1 251 37 37 ASN HB2 H 2.81 0.01 2 252 37 37 ASN HB3 H 2.67 0.01 2 253 37 37 ASN C C 173.24 0.05 1 254 37 37 ASN CA C 51.50 0.05 1 255 37 37 ASN CB C 38.70 0.05 1 256 37 37 ASN N N 121.51 0.03 1 257 38 38 PRO HA H 4.44 0.01 1 258 38 38 PRO HB2 H 2.24 0.01 2 259 38 38 PRO HB3 H 2.00 0.01 2 260 38 38 PRO C C 177.10 0.05 1 261 38 38 PRO CA C 63.41 0.05 1 262 38 38 PRO CB C 32.23 0.05 1 263 38 38 PRO N N 136.76 0.03 1 264 39 39 GLY H H 8.38 0.01 1 265 39 39 GLY HA2 H 4.06 0.01 1 266 39 39 GLY HA3 H 4.06 0.01 1 267 39 39 GLY C C 171.63 0.05 1 268 39 39 GLY CA C 44.41 0.05 1 269 39 39 GLY N N 109.27 0.03 1 270 40 40 PRO HA H 4.39 0.01 1 271 40 40 PRO HB2 H 2.27 0.01 2 272 40 40 PRO HB3 H 1.90 0.01 2 273 40 40 PRO C C 177.04 0.05 1 274 40 40 PRO CA C 63.27 0.05 1 275 40 40 PRO CB C 32.09 0.05 1 276 40 40 PRO N N 134.31 0.03 1 277 41 41 ARG H H 8.59 0.01 1 278 41 41 ARG HA H 4.29 0.01 1 279 41 41 ARG C C 176.01 0.05 1 280 41 41 ARG CA C 55.83 0.05 1 281 41 41 ARG N N 121.69 0.03 1 282 42 42 HIS H H 8.53 0.01 1 283 42 42 HIS HA H 4.89 0.01 1 284 42 42 HIS HB2 H 3.12 0.01 2 285 42 42 HIS HB3 H 3.03 0.01 2 286 42 42 HIS C C 173.65 0.05 1 287 42 42 HIS CA C 54.22 0.05 1 288 42 42 HIS CB C 30.08 0.05 1 289 42 42 HIS N N 122.37 0.03 1 290 43 43 PRO HA H 4.39 0.01 1 291 43 43 PRO HB2 H 2.28 0.01 2 292 43 43 PRO HB3 H 1.91 0.01 2 293 43 43 PRO C C 177.06 0.05 1 294 43 43 PRO CA C 63.35 0.05 1 295 43 43 PRO CB C 32.10 0.05 1 296 43 43 PRO N N 137.58 0.03 1 297 44 44 GLU H H 8.91 0.01 1 298 44 44 GLU HA H 4.27 0.01 1 299 44 44 GLU HB2 H 2.07 0.01 2 300 44 44 GLU HB3 H 1.94 0.01 2 301 44 44 GLU C C 176.47 0.05 1 302 44 44 GLU CA C 56.42 0.05 1 303 44 44 GLU CB C 30.21 0.05 1 304 44 44 GLU N N 121.65 0.03 1 305 45 45 ALA H H 8.46 0.01 1 306 45 45 ALA HA H 4.27 0.01 1 307 45 45 ALA HB H 1.40 0.01 1 308 45 45 ALA C C 177.70 0.05 1 309 45 45 ALA CA C 52.54 0.05 1 310 45 45 ALA CB C 19.24 0.05 1 311 45 45 ALA N N 125.63 0.03 1 312 46 46 ALA H H 8.46 0.01 1 313 46 46 ALA HA H 4.30 0.01 1 314 46 46 ALA HB H 1.40 0.01 1 315 46 46 ALA C C 177.98 0.05 1 316 46 46 ALA CA C 52.58 0.05 1 317 46 46 ALA CB C 19.15 0.05 1 318 46 46 ALA N N 123.76 0.03 1 319 47 47 SER H H 8.36 0.01 1 320 47 47 SER HA H 4.40 0.01 1 321 47 47 SER HB2 H 3.86 0.01 2 322 47 47 SER HB3 H 3.86 0.01 2 323 47 47 SER C C 174.17 0.05 1 324 47 47 SER CA C 58.21 0.05 1 325 47 47 SER CB C 63.85 0.05 1 326 47 47 SER N N 115.30 0.03 1 327 48 48 ALA H H 8.38 0.01 1 328 48 48 ALA HA H 4.33 0.01 1 329 48 48 ALA HB H 1.37 0.01 1 330 48 48 ALA C C 177.07 0.05 1 331 48 48 ALA CA C 52.15 0.05 1 332 48 48 ALA CB C 19.38 0.05 1 333 48 48 ALA N N 126.26 0.03 1 334 49 49 ALA H H 8.37 0.01 1 335 49 49 ALA HA H 4.56 0.01 1 336 49 49 ALA HB H 1.33 0.01 1 337 49 49 ALA C C 175.01 0.05 1 338 49 49 ALA CA C 50.40 0.05 1 339 49 49 ALA CB C 18.01 0.05 1 340 49 49 ALA N N 125.24 0.03 1 341 50 50 PRO HA H 4.72 0.01 1 342 50 50 PRO HB2 H 2.36 0.01 2 343 50 50 PRO HB3 H 1.90 0.01 2 344 50 50 PRO C C 174.92 0.05 1 345 50 50 PRO CA C 61.38 0.05 1 346 50 50 PRO CB C 30.76 0.05 1 347 50 50 PRO N N 137.23 0.03 1 348 51 51 PRO HA H 4.41 0.01 1 349 51 51 PRO HB2 H 2.32 0.01 2 350 51 51 PRO HB3 H 1.95 0.01 2 351 51 51 PRO C C 177.83 0.05 1 352 51 51 PRO CA C 63.46 0.05 1 353 51 51 PRO CB C 31.96 0.05 1 354 51 51 PRO N N 135.98 0.03 1 355 52 52 GLY H H 8.65 0.01 1 356 52 52 GLY HA2 H 3.94 0.01 1 357 52 52 GLY HA3 H 3.94 0.01 1 358 52 52 GLY C C 174.49 0.05 1 359 52 52 GLY CA C 45.28 0.05 1 360 52 52 GLY N N 109.49 0.03 1 361 53 53 ALA H H 8.25 0.01 1 362 53 53 ALA HA H 4.24 0.01 1 363 53 53 ALA HB H 1.43 0.01 1 364 53 53 ALA C C 178.82 0.05 1 365 53 53 ALA CA C 53.56 0.05 1 366 53 53 ALA CB C 19.13 0.05 1 367 53 53 ALA N N 123.73 0.03 1 368 54 54 SER H H 8.43 0.01 1 369 54 54 SER C C 175.64 0.05 1 370 54 54 SER N N 114.83 0.03 1 371 55 55 LEU H H 8.23 0.01 1 372 55 55 LEU C C 178.59 0.05 1 373 55 55 LEU N N 124.54 0.03 1 374 56 56 LEU H H 7.99 0.01 1 375 56 56 LEU C C 178.79 0.05 1 376 56 56 LEU N N 120.46 0.03 1 377 57 57 LEU H H 7.87 0.01 1 378 57 57 LEU C C 178.97 0.05 1 379 57 57 LEU N N 120.64 0.03 1 380 58 58 LEU H H 7.98 0.01 1 381 58 58 LEU C C 179.25 0.05 1 382 58 58 LEU N N 120.74 0.03 1 383 59 59 GLN H H 8.29 0.01 1 384 59 59 GLN HA H 4.14 0.01 1 385 59 59 GLN C C 178.38 0.05 1 386 59 59 GLN CA C 58.15 0.05 1 387 59 59 GLN N N 119.38 0.03 1 388 60 60 GLN H H 8.42 0.01 1 389 60 60 GLN HA H 4.15 0.01 1 390 60 60 GLN C C 178.31 0.05 1 391 60 60 GLN CA C 58.26 0.05 1 392 60 60 GLN N N 120.30 0.03 1 393 61 61 GLN H H 8.40 0.01 1 394 61 61 GLN HA H 4.15 0.01 1 395 61 61 GLN HB2 H 2.16 0.01 2 396 61 61 GLN HB3 H 2.16 0.01 2 397 61 61 GLN C C 177.92 0.05 1 398 61 61 GLN CA C 57.96 0.05 1 399 61 61 GLN CB C 28.61 0.05 1 400 61 61 GLN N N 120.25 0.03 1 401 62 62 GLN H H 8.30 0.01 1 402 62 62 GLN HA H 4.17 0.01 1 403 62 62 GLN HB2 H 2.15 0.01 2 404 62 62 GLN HB3 H 2.15 0.01 2 405 62 62 GLN C C 177.87 0.05 1 406 62 62 GLN CA C 57.89 0.05 1 407 62 62 GLN CB C 28.58 0.05 1 408 62 62 GLN N N 120.21 0.03 1 409 63 63 GLN H H 8.30 0.01 1 410 63 63 GLN HA H 4.17 0.01 1 411 63 63 GLN HB2 H 2.15 0.01 2 412 63 63 GLN HB3 H 2.15 0.01 2 413 63 63 GLN C C 177.83 0.05 1 414 63 63 GLN CA C 57.84 0.05 1 415 63 63 GLN CB C 28.59 0.05 1 416 63 63 GLN N N 120.26 0.03 1 417 64 64 GLN H H 8.31 0.01 1 418 64 64 GLN HA H 4.17 0.01 1 419 64 64 GLN HB2 H 2.15 0.01 2 420 64 64 GLN HB3 H 2.15 0.01 2 421 64 64 GLN C C 177.78 0.05 1 422 64 64 GLN CA C 57.81 0.05 1 423 64 64 GLN CB C 28.63 0.05 1 424 64 64 GLN N N 120.30 0.03 1 425 65 65 GLN H H 8.32 0.01 1 426 65 65 GLN HA H 4.18 0.01 1 427 65 65 GLN HB2 H 2.16 0.01 2 428 65 65 GLN HB3 H 2.16 0.01 2 429 65 65 GLN C C 177.69 0.05 1 430 65 65 GLN CA C 57.68 0.05 1 431 65 65 GLN CB C 28.60 0.05 1 432 65 65 GLN N N 120.34 0.03 1 433 66 66 GLN H H 8.34 0.01 1 434 66 66 GLN HA H 4.18 0.01 1 435 66 66 GLN HB2 H 2.15 0.01 2 436 66 66 GLN HB3 H 2.15 0.01 2 437 66 66 GLN C C 177.65 0.05 1 438 66 66 GLN CA C 57.57 0.05 1 439 66 66 GLN CB C 28.65 0.05 1 440 66 66 GLN N N 120.39 0.03 1 441 67 67 GLN H H 8.34 0.01 1 442 67 67 GLN HA H 4.18 0.01 1 443 67 67 GLN HB2 H 2.15 0.01 2 444 67 67 GLN HB3 H 2.15 0.01 2 445 67 67 GLN C C 177.61 0.05 1 446 67 67 GLN CA C 57.55 0.05 1 447 67 67 GLN CB C 28.70 0.05 1 448 67 67 GLN N N 120.41 0.03 1 449 68 68 GLN H H 8.34 0.01 1 450 68 68 GLN HA H 4.18 0.01 1 451 68 68 GLN HB2 H 2.13 0.01 2 452 68 68 GLN HB3 H 2.13 0.01 2 453 68 68 GLN C C 177.52 0.05 1 454 68 68 GLN CA C 57.54 0.05 1 455 68 68 GLN CB C 28.77 0.05 1 456 68 68 GLN N N 120.42 0.03 1 457 69 69 GLN H H 8.35 0.01 1 458 69 69 GLN HA H 4.19 0.01 1 459 69 69 GLN HB2 H 2.13 0.01 2 460 69 69 GLN HB3 H 2.13 0.01 2 461 69 69 GLN C C 177.48 0.05 1 462 69 69 GLN CA C 57.53 0.05 1 463 69 69 GLN CB C 28.72 0.05 1 464 69 69 GLN N N 120.48 0.03 1 465 70 70 GLN H H 8.36 0.01 1 466 70 70 GLN HA H 4.20 0.01 1 467 70 70 GLN HB2 H 2.13 0.01 2 468 70 70 GLN HB3 H 2.13 0.01 2 469 70 70 GLN C C 177.38 0.05 1 470 70 70 GLN CA C 57.41 0.05 1 471 70 70 GLN CB C 28.74 0.05 1 472 70 70 GLN N N 120.50 0.03 1 473 71 71 GLN H H 8.37 0.01 1 474 71 71 GLN HA H 4.20 0.01 1 475 71 71 GLN HB2 H 2.13 0.01 2 476 71 71 GLN HB3 H 2.13 0.01 2 477 71 71 GLN C C 177.34 0.05 1 478 71 71 GLN CA C 57.34 0.05 1 479 71 71 GLN CB C 28.81 0.05 1 480 71 71 GLN N N 120.55 0.03 1 481 72 72 GLN H H 8.37 0.01 1 482 72 72 GLN HA H 4.21 0.01 1 483 72 72 GLN HB2 H 2.13 0.01 2 484 72 72 GLN HB3 H 2.13 0.01 2 485 72 72 GLN C C 177.27 0.05 1 486 72 72 GLN CA C 57.22 0.05 1 487 72 72 GLN CB C 28.93 0.05 1 488 72 72 GLN N N 120.59 0.03 1 489 73 73 GLN H H 8.38 0.01 1 490 73 73 GLN HA H 4.21 0.01 1 491 73 73 GLN HB2 H 2.11 0.01 2 492 73 73 GLN HB3 H 2.11 0.01 2 493 73 73 GLN C C 177.21 0.05 1 494 73 73 GLN CA C 57.17 0.05 1 495 73 73 GLN CB C 28.98 0.05 1 496 73 73 GLN N N 120.62 0.03 1 497 74 74 GLN H H 8.38 0.01 1 498 74 74 GLN HA H 4.22 0.01 1 499 74 74 GLN HB2 H 2.12 0.01 2 500 74 74 GLN HB3 H 2.12 0.01 2 501 74 74 GLN C C 177.12 0.05 1 502 74 74 GLN CA C 57.06 0.05 1 503 74 74 GLN CB C 28.91 0.05 1 504 74 74 GLN N N 120.66 0.03 1 505 75 75 GLN H H 8.39 0.01 1 506 75 75 GLN HA H 4.22 0.01 1 507 75 75 GLN HB2 H 2.12 0.01 2 508 75 75 GLN HB3 H 2.12 0.01 2 509 75 75 GLN C C 177.04 0.05 1 510 75 75 GLN CA C 56.95 0.05 1 511 75 75 GLN CB C 28.97 0.05 1 512 75 75 GLN N N 120.72 0.03 1 513 76 76 GLN H H 8.40 0.01 1 514 76 76 GLN HA H 4.22 0.01 1 515 76 76 GLN HB2 H 2.10 0.01 2 516 76 76 GLN HB3 H 2.10 0.01 2 517 76 76 GLN C C 176.98 0.05 1 518 76 76 GLN CA C 56.96 0.05 1 519 76 76 GLN CB C 29.06 0.05 1 520 76 76 GLN N N 120.80 0.03 1 521 77 77 GLN H H 8.41 0.01 1 522 77 77 GLN HA H 4.23 0.01 1 523 77 77 GLN HB2 H 2.13 0.01 2 524 77 77 GLN HB3 H 2.13 0.01 2 525 77 77 GLN C C 176.92 0.05 1 526 77 77 GLN CA C 56.88 0.05 1 527 77 77 GLN CB C 29.00 0.05 1 528 77 77 GLN N N 120.84 0.03 1 529 78 78 GLN H H 8.42 0.01 1 530 78 78 GLN HA H 4.23 0.01 1 531 78 78 GLN HB2 H 2.12 0.01 2 532 78 78 GLN HB3 H 2.07 0.01 2 533 78 78 GLN C C 176.78 0.05 1 534 78 78 GLN CA C 56.65 0.05 1 535 78 78 GLN CB C 29.05 0.05 1 536 78 78 GLN N N 120.87 0.03 1 537 79 79 GLN H H 8.43 0.01 1 538 79 79 GLN HA H 4.29 0.01 1 539 79 79 GLN HB2 H 2.06 0.01 2 540 79 79 GLN HB3 H 2.06 0.01 2 541 79 79 GLN C C 176.65 0.05 1 542 79 79 GLN CA C 56.52 0.05 1 543 79 79 GLN CB C 29.15 0.05 1 544 79 79 GLN N N 120.98 0.03 1 545 80 80 GLN H H 8.46 0.01 1 546 80 80 GLN HA H 4.25 0.01 1 547 80 80 GLN HB2 H 2.12 0.01 2 548 80 80 GLN HB3 H 2.03 0.01 2 549 80 80 GLN C C 176.50 0.05 1 550 80 80 GLN CA C 56.42 0.05 1 551 80 80 GLN CB C 29.20 0.05 1 552 80 80 GLN N N 121.23 0.03 1 553 81 81 GLN H H 8.48 0.01 1 554 81 81 GLN HA H 4.27 0.01 1 555 81 81 GLN HB2 H 2.12 0.01 2 556 81 81 GLN HB3 H 2.03 0.01 2 557 81 81 GLN C C 176.42 0.05 1 558 81 81 GLN CA C 56.35 0.05 1 559 81 81 GLN CB C 29.31 0.05 1 560 81 81 GLN N N 121.34 0.03 1 561 82 82 GLN H H 8.52 0.01 1 562 82 82 GLN HA H 4.29 0.01 1 563 82 82 GLN HB2 H 2.12 0.01 2 564 82 82 GLN HB3 H 2.03 0.01 2 565 82 82 GLN C C 176.18 0.05 1 566 82 82 GLN CA C 56.14 0.05 1 567 82 82 GLN CB C 29.25 0.05 1 568 82 82 GLN N N 121.63 0.03 1 569 83 83 GLN H H 8.52 0.01 1 570 83 83 GLN HA H 4.31 0.01 1 571 83 83 GLN HB2 H 2.11 0.01 2 572 83 83 GLN HB3 H 2.01 0.01 2 573 83 83 GLN C C 176.19 0.05 1 574 83 83 GLN CA C 55.93 0.05 1 575 83 83 GLN CB C 29.53 0.05 1 576 83 83 GLN N N 121.63 0.03 1 577 84 84 GLU H H 8.62 0.01 1 578 84 84 GLU HA H 4.34 0.01 1 579 84 84 GLU HB2 H 2.07 0.01 2 580 84 84 GLU HB3 H 1.98 0.01 2 581 84 84 GLU C C 176.79 0.05 1 582 84 84 GLU CA C 56.71 0.05 1 583 84 84 GLU CB C 30.36 0.05 1 584 84 84 GLU N N 122.56 0.03 1 585 85 85 THR H H 8.36 0.01 1 586 85 85 THR HA H 4.35 0.01 1 587 85 85 THR HB H 4.22 0.01 1 588 85 85 THR C C 174.51 0.05 1 589 85 85 THR CA C 61.82 0.05 1 590 85 85 THR CB C 69.88 0.05 1 591 85 85 THR N N 115.45 0.03 1 592 86 86 SER H H 8.45 0.01 1 593 86 86 SER HA H 4.77 0.01 1 594 86 86 SER HB2 H 3.87 0.01 2 595 86 86 SER HB3 H 3.87 0.01 2 596 86 86 SER C C 172.66 0.05 1 597 86 86 SER CA C 56.56 0.05 1 598 86 86 SER CB C 63.20 0.05 1 599 86 86 SER N N 119.85 0.03 1 600 87 87 PRO HA H 4.42 0.01 1 601 87 87 PRO HB2 H 2.30 0.01 2 602 87 87 PRO HB3 H 1.90 0.01 2 603 87 87 PRO C C 177.20 0.05 1 604 87 87 PRO CA C 63.49 0.05 1 605 87 87 PRO CB C 32.07 0.05 1 606 87 87 PRO N N 137.96 0.03 1 607 88 88 ARG H H 8.55 0.01 1 608 88 88 ARG HA H 4.24 0.01 1 609 88 88 ARG HB2 H 2.05 0.01 2 610 88 88 ARG HB3 H 1.94 0.01 2 611 88 88 ARG C C 176.71 0.05 1 612 88 88 ARG CA C 56.61 0.05 1 613 88 88 ARG CB C 30.43 0.05 1 614 88 88 ARG N N 121.47 0.03 1 615 89 89 GLN H H 8.53 0.01 1 616 89 89 GLN HA H 4.28 0.01 1 617 89 89 GLN HB2 H 2.10 0.01 2 618 89 89 GLN HB3 H 2.00 0.01 2 619 89 89 GLN C C 176.23 0.05 1 620 89 89 GLN CA C 56.08 0.05 1 621 89 89 GLN CB C 29.40 0.05 1 622 89 89 GLN N N 121.85 0.03 1 623 90 90 GLN H H 8.60 0.01 1 624 90 90 GLN HA H 4.28 0.01 1 625 90 90 GLN HB2 H 2.10 0.01 2 626 90 90 GLN HB3 H 1.99 0.01 2 627 90 90 GLN C C 176.16 0.05 1 628 90 90 GLN CA C 56.13 0.05 1 629 90 90 GLN CB C 29.38 0.05 1 630 90 90 GLN N N 122.06 0.03 1 631 91 91 GLN H H 8.60 0.01 1 632 91 91 GLN HA H 4.29 0.01 1 633 91 91 GLN HB2 H 2.09 0.01 2 634 91 91 GLN HB3 H 1.99 0.01 2 635 91 91 GLN C C 176.13 0.05 1 636 91 91 GLN CA C 56.05 0.05 1 637 91 91 GLN CB C 29.40 0.05 1 638 91 91 GLN N N 121.90 0.03 1 639 92 92 GLN H H 8.60 0.01 1 640 92 92 GLN HA H 4.29 0.01 1 641 92 92 GLN HB2 H 2.09 0.01 2 642 92 92 GLN HB3 H 1.99 0.01 2 643 92 92 GLN C C 176.10 0.05 1 644 92 92 GLN CA C 56.01 0.05 1 645 92 92 GLN CB C 29.44 0.05 1 646 92 92 GLN N N 122.11 0.03 1 647 93 93 GLN H H 8.65 0.01 1 648 93 93 GLN HA H 4.31 0.01 1 649 93 93 GLN HB2 H 2.10 0.01 2 650 93 93 GLN HB3 H 1.98 0.01 2 651 93 93 GLN C C 175.97 0.05 1 652 93 93 GLN CA C 55.87 0.05 1 653 93 93 GLN CB C 29.43 0.05 1 654 93 93 GLN N N 122.29 0.03 1 655 94 94 GLN H H 8.67 0.01 1 656 94 94 GLN HA H 4.34 0.01 1 657 94 94 GLN HB2 H 2.11 0.01 2 658 94 94 GLN HB3 H 1.99 0.01 2 659 94 94 GLN C C 176.51 0.05 1 660 94 94 GLN CA C 55.99 0.05 1 661 94 94 GLN CB C 29.61 0.05 1 662 94 94 GLN N N 122.28 0.03 1 663 95 95 GLY H H 8.62 0.01 1 664 95 95 GLY HA2 H 3.98 0.01 1 665 95 95 GLY HA3 H 3.98 0.01 1 666 95 95 GLY C C 174.29 0.05 1 667 95 95 GLY CA C 45.09 0.05 1 668 95 95 GLY N N 110.63 0.03 1 669 96 96 GLU H H 8.51 0.01 1 670 96 96 GLU HA H 4.29 0.01 1 671 96 96 GLU HB2 H 2.07 0.01 2 672 96 96 GLU HB3 H 1.93 0.01 2 673 96 96 GLU C C 176.63 0.05 1 674 96 96 GLU CA C 56.56 0.05 1 675 96 96 GLU CB C 30.30 0.05 1 676 96 96 GLU N N 120.85 0.03 1 677 97 97 ASP H H 8.57 0.01 1 678 97 97 ASP HA H 4.56 0.01 1 679 97 97 ASP HB2 H 2.71 0.01 2 680 97 97 ASP HB3 H 2.71 0.01 2 681 97 97 ASP C C 176.93 0.05 1 682 97 97 ASP CA C 54.45 0.05 1 683 97 97 ASP CB C 40.93 0.05 1 684 97 97 ASP N N 121.33 0.03 1 685 98 98 GLY H H 8.49 0.01 1 686 98 98 GLY HA2 H 3.96 0.01 1 687 98 98 GLY HA3 H 3.96 0.01 1 688 98 98 GLY C C 174.24 0.05 1 689 98 98 GLY CA C 45.22 0.05 1 690 98 98 GLY N N 109.91 0.03 1 691 99 99 SER H H 8.27 0.01 1 692 99 99 SER HA H 4.71 0.01 1 693 99 99 SER HB2 H 3.89 0.01 2 694 99 99 SER HB3 H 3.89 0.01 2 695 99 99 SER C C 173.01 0.05 1 696 99 99 SER CA C 56.85 0.05 1 697 99 99 SER CB C 63.06 0.05 1 698 99 99 SER N N 117.41 0.03 1 699 100 100 PRO HA H 4.42 0.01 1 700 100 100 PRO HB2 H 2.30 0.01 2 701 100 100 PRO HB3 H 1.89 0.01 2 702 100 100 PRO C C 177.33 0.05 1 703 100 100 PRO CA C 63.71 0.05 1 704 100 100 PRO CB C 31.93 0.05 1 705 100 100 PRO N N 138.03 0.03 1 706 101 101 GLN H H 8.53 0.01 1 707 101 101 GLN HA H 4.25 0.01 1 708 101 101 GLN HB2 H 2.05 0.01 2 709 101 101 GLN HB3 H 1.91 0.01 2 710 101 101 GLN C C 176.07 0.05 1 711 101 101 GLN CA C 55.88 0.05 1 712 101 101 GLN CB C 29.27 0.05 1 713 101 101 GLN N N 120.12 0.03 1 714 102 102 ALA H H 8.33 0.01 1 715 102 102 ALA HA H 4.20 0.01 1 716 102 102 ALA HB H 1.33 0.01 1 717 102 102 ALA C C 177.66 0.05 1 718 102 102 ALA CA C 52.88 0.05 1 719 102 102 ALA CB C 19.09 0.05 1 720 102 102 ALA N N 124.83 0.03 1 721 103 103 HIS H H 8.32 0.01 1 722 103 103 HIS HA H 4.61 0.01 1 723 103 103 HIS HB2 H 3.08 0.01 2 724 103 103 HIS HB3 H 3.08 0.01 2 725 103 103 HIS C C 175.31 0.05 1 726 103 103 HIS CA C 56.09 0.05 1 727 103 103 HIS CB C 30.56 0.05 1 728 103 103 HIS N N 118.19 0.03 1 729 104 104 ARG H H 8.39 0.01 1 730 104 104 ARG HA H 4.32 0.01 1 731 104 104 ARG C C 176.01 0.05 1 732 104 104 ARG CA C 56.15 0.05 1 733 104 104 ARG N N 122.54 0.03 1 734 105 105 ARG H H 8.62 0.01 1 735 105 105 ARG HA H 4.43 0.01 1 736 105 105 ARG HB2 H 1.80 0.01 2 737 105 105 ARG HB3 H 1.80 0.01 2 738 105 105 ARG C C 176.61 0.05 1 739 105 105 ARG CA C 56.91 0.05 1 740 105 105 ARG CB C 31.36 0.05 1 741 105 105 ARG N N 122.73 0.03 1 742 106 106 GLY H H 8.45 0.01 1 743 106 106 GLY HA2 H 4.22 0.01 1 744 106 106 GLY HA3 H 3.77 0.01 1 745 106 106 GLY C C 172.28 0.05 1 746 106 106 GLY CA C 44.53 0.05 1 747 106 106 GLY N N 110.35 0.03 1 748 107 107 PRO HA H 4.47 0.01 1 749 107 107 PRO HB2 H 2.31 0.01 2 750 107 107 PRO HB3 H 2.31 0.01 2 751 107 107 PRO C C 177.71 0.05 1 752 107 107 PRO CA C 63.70 0.05 1 753 107 107 PRO CB C 32.13 0.05 1 754 107 107 PRO N N 134.19 0.03 1 755 108 108 THR H H 8.33 0.01 1 756 108 108 THR HA H 4.36 0.01 1 757 108 108 THR HB H 4.27 0.01 1 758 108 108 THR C C 175.14 0.05 1 759 108 108 THR CA C 61.78 0.05 1 760 108 108 THR CB C 69.66 0.05 1 761 108 108 THR N N 112.15 0.03 1 762 109 109 GLY H H 8.34 0.01 1 763 109 109 GLY HA2 H 3.98 0.01 1 764 109 109 GLY HA3 H 3.55 0.01 1 765 109 109 GLY C C 173.68 0.05 1 766 109 109 GLY CA C 45.23 0.05 1 767 109 109 GLY N N 110.65 0.03 1 768 110 110 TYR H H 8.10 0.01 1 769 110 110 TYR HA H 4.58 0.01 1 770 110 110 TYR HB2 H 3.02 0.01 2 771 110 110 TYR HB3 H 2.88 0.01 2 772 110 110 TYR C C 175.44 0.05 1 773 110 110 TYR CA C 57.69 0.05 1 774 110 110 TYR CB C 38.88 0.05 1 775 110 110 TYR N N 120.23 0.03 1 776 111 111 LEU H H 8.34 0.01 1 777 111 111 LEU HA H 4.33 0.01 1 778 111 111 LEU HB2 H 1.45 0.01 2 779 111 111 LEU HB3 H 1.45 0.01 2 780 111 111 LEU C C 176.61 0.05 1 781 111 111 LEU CA C 55.09 0.05 1 782 111 111 LEU CB C 42.53 0.05 1 783 111 111 LEU N N 124.29 0.03 1 784 112 112 VAL H H 8.29 0.01 1 785 112 112 VAL HA H 4.04 0.01 1 786 112 112 VAL HB H 1.99 0.01 1 787 112 112 VAL C C 175.95 0.05 1 788 112 112 VAL CA C 62.33 0.05 1 789 112 112 VAL CB C 32.66 0.05 1 790 112 112 VAL N N 123.08 0.03 1 791 113 113 LEU H H 8.50 0.01 1 792 113 113 LEU HA H 4.37 0.01 1 793 113 113 LEU HB2 H 1.59 0.01 2 794 113 113 LEU HB3 H 1.59 0.01 2 795 113 113 LEU C C 177.02 0.05 1 796 113 113 LEU CA C 54.83 0.05 1 797 113 113 LEU CB C 42.35 0.05 1 798 113 113 LEU N N 127.03 0.03 1 799 114 114 ASP H H 8.45 0.01 1 800 114 114 ASP HA H 4.56 0.01 1 801 114 114 ASP HB2 H 2.71 0.01 2 802 114 114 ASP HB3 H 2.59 0.01 2 803 114 114 ASP C C 176.42 0.05 1 804 114 114 ASP CA C 54.50 0.05 1 805 114 114 ASP CB C 41.08 0.05 1 806 114 114 ASP N N 121.79 0.03 1 807 115 115 GLU H H 8.53 0.01 1 808 115 115 GLU HA H 4.23 0.01 1 809 115 115 GLU HB2 H 1.77 0.01 2 810 115 115 GLU HB3 H 1.77 0.01 2 811 115 115 GLU C C 176.72 0.05 1 812 115 115 GLU CA C 56.72 0.05 1 813 115 115 GLU CB C 30.67 0.05 1 814 115 115 GLU N N 121.27 0.03 1 815 116 116 GLU H H 8.53 0.01 1 816 116 116 GLU HA H 4.28 0.01 1 817 116 116 GLU HB2 H 2.05 0.01 2 818 116 116 GLU HB3 H 1.94 0.01 2 819 116 116 GLU C C 176.63 0.05 1 820 116 116 GLU CA C 56.58 0.05 1 821 116 116 GLU CB C 30.26 0.05 1 822 116 116 GLU N N 121.78 0.03 1 823 117 117 GLN H H 8.46 0.01 1 824 117 117 GLN HA H 4.28 0.01 1 825 117 117 GLN HB2 H 2.10 0.01 2 826 117 117 GLN HB3 H 1.97 0.01 2 827 117 117 GLN C C 175.92 0.05 1 828 117 117 GLN CA C 55.63 0.05 1 829 117 117 GLN CB C 29.38 0.05 1 830 117 117 GLN N N 121.42 0.03 1 831 118 118 GLN H H 8.59 0.01 1 832 118 118 GLN HA H 4.58 0.01 1 833 118 118 GLN HB2 H 2.11 0.01 2 834 118 118 GLN HB3 H 1.92 0.01 2 835 118 118 GLN C C 174.00 0.05 1 836 118 118 GLN CA C 53.63 0.05 1 837 118 118 GLN CB C 28.73 0.05 1 838 118 118 GLN N N 122.90 0.03 1 839 119 119 PRO HA H 4.47 0.01 1 840 119 119 PRO HB2 H 2.32 0.01 2 841 119 119 PRO HB3 H 1.93 0.01 2 842 119 119 PRO C C 177.00 0.05 1 843 119 119 PRO CA C 63.09 0.05 1 844 119 119 PRO CB C 32.20 0.05 1 845 119 119 PRO N N 137.24 0.03 1 846 120 120 SER H H 8.63 0.01 1 847 120 120 SER HA H 4.39 0.01 1 848 120 120 SER HB2 H 3.85 0.01 2 849 120 120 SER HB3 H 3.85 0.01 2 850 120 120 SER C C 174.33 0.05 1 851 120 120 SER CA C 58.42 0.05 1 852 120 120 SER CB C 63.72 0.05 1 853 120 120 SER N N 117.03 0.03 1 854 121 121 GLN H H 8.54 0.01 1 855 121 121 GLN HA H 4.65 0.01 1 856 121 121 GLN HB2 H 2.09 0.01 2 857 121 121 GLN HB3 H 1.91 0.01 2 858 121 121 GLN C C 173.98 0.05 1 859 121 121 GLN CA C 53.58 0.05 1 860 121 121 GLN CB C 29.00 0.05 1 861 121 121 GLN N N 122.98 0.03 1 862 122 122 PRO HA H 4.42 0.01 1 863 122 122 PRO HB2 H 2.31 0.01 2 864 122 122 PRO HB3 H 1.91 0.01 2 865 122 122 PRO C C 177.05 0.05 1 866 122 122 PRO CA C 63.14 0.05 1 867 122 122 PRO CB C 32.02 0.05 1 868 122 122 PRO N N 137.52 0.03 1 869 123 123 GLN H H 8.75 0.01 1 870 123 123 GLN HA H 4.30 0.01 1 871 123 123 GLN HB2 H 2.10 0.01 2 872 123 123 GLN HB3 H 1.99 0.01 2 873 123 123 GLN C C 176.34 0.05 1 874 123 123 GLN CA C 56.01 0.05 1 875 123 123 GLN CB C 29.52 0.05 1 876 123 123 GLN N N 121.34 0.03 1 877 124 124 SER H H 8.52 0.01 1 878 124 124 SER HA H 4.39 0.01 1 879 124 124 SER HB2 H 3.87 0.01 2 880 124 124 SER HB3 H 3.87 0.01 2 881 124 124 SER C C 174.52 0.05 1 882 124 124 SER CA C 58.41 0.05 1 883 124 124 SER CB C 63.80 0.05 1 884 124 124 SER N N 117.55 0.03 1 885 125 125 ALA H H 8.54 0.01 1 886 125 125 ALA HA H 4.32 0.01 1 887 125 125 ALA HB H 1.40 0.01 1 888 125 125 ALA C C 177.90 0.05 1 889 125 125 ALA CA C 52.78 0.05 1 890 125 125 ALA CB C 19.10 0.05 1 891 125 125 ALA N N 126.33 0.03 1 892 126 126 LEU H H 8.21 0.01 1 893 126 126 LEU HA H 4.27 0.01 1 894 126 126 LEU HB2 H 1.58 0.01 2 895 126 126 LEU HB3 H 1.58 0.01 2 896 126 126 LEU C C 177.64 0.05 1 897 126 126 LEU CA C 55.34 0.05 1 898 126 126 LEU CB C 42.25 0.05 1 899 126 126 LEU N N 120.77 0.03 1 900 127 127 GLU H H 8.33 0.01 1 901 127 127 GLU HA H 4.23 0.01 1 902 127 127 GLU HB2 H 1.94 0.01 2 903 127 127 GLU HB3 H 1.94 0.01 2 904 127 127 GLU C C 176.11 0.05 1 905 127 127 GLU CA C 56.44 0.05 1 906 127 127 GLU CB C 30.37 0.05 1 907 127 127 GLU N N 121.42 0.03 1 908 128 128 CYS H H 8.37 0.01 1 909 128 128 CYS HA H 4.42 0.01 1 910 128 128 CYS HB2 H 2.81 0.01 2 911 128 128 CYS HB3 H 2.81 0.01 2 912 128 128 CYS C C 173.99 0.05 1 913 128 128 CYS CA C 58.50 0.05 1 914 128 128 CYS CB C 28.05 0.05 1 915 128 128 CYS N N 120.62 0.03 1 916 129 129 HIS H H 8.68 0.01 1 917 129 129 HIS HA H 4.96 0.01 1 918 129 129 HIS HB2 H 3.12 0.01 2 919 129 129 HIS HB3 H 3.06 0.01 2 920 129 129 HIS C C 173.29 0.05 1 921 129 129 HIS CA C 54.15 0.05 1 922 129 129 HIS CB C 29.80 0.05 1 923 129 129 HIS N N 122.79 0.03 1 924 130 130 PRO HA H 4.42 0.01 1 925 130 130 PRO HB2 H 2.29 0.01 2 926 130 130 PRO HB3 H 1.90 0.01 2 927 130 130 PRO C C 177.19 0.05 1 928 130 130 PRO CA C 63.51 0.05 1 929 130 130 PRO CB C 32.08 0.05 1 930 130 130 PRO N N 137.61 0.03 1 931 131 131 GLU H H 9.10 0.01 1 932 131 131 GLU HA H 4.29 0.01 1 933 131 131 GLU HB2 H 2.09 0.01 2 934 131 131 GLU HB3 H 1.99 0.01 2 935 131 131 GLU C C 176.84 0.05 1 936 131 131 GLU CA C 56.84 0.05 1 937 131 131 GLU CB C 29.63 0.05 1 938 131 131 GLU N N 121.55 0.03 1 939 132 132 ARG H H 8.46 0.01 1 940 132 132 ARG HA H 4.34 0.01 1 941 132 132 ARG HB2 H 1.91 0.01 2 942 132 132 ARG HB3 H 1.91 0.01 2 943 132 132 ARG C C 176.92 0.05 1 944 132 132 ARG CA C 56.47 0.05 1 945 132 132 ARG CB C 30.71 0.05 1 946 132 132 ARG N N 122.39 0.03 1 947 133 133 GLY H H 8.54 0.01 1 948 133 133 GLY HA2 H 3.98 0.01 1 949 133 133 GLY HA3 H 3.98 0.01 1 950 133 133 GLY C C 173.87 0.05 1 951 133 133 GLY CA C 45.15 0.05 1 952 133 133 GLY N N 109.97 0.03 1 953 134 134 CYS H H 8.34 0.01 1 954 134 134 CYS HA H 4.54 0.01 1 955 134 134 CYS HB2 H 2.89 0.01 2 956 134 134 CYS HB3 H 2.89 0.01 2 957 134 134 CYS C C 174.57 0.05 1 958 134 134 CYS CA C 58.28 0.05 1 959 134 134 CYS CB C 28.19 0.05 1 960 134 134 CYS N N 119.05 0.03 1 961 135 135 VAL H H 8.45 0.01 1 962 135 135 VAL HA H 4.43 0.01 1 963 135 135 VAL HB H 2.08 0.01 1 964 135 135 VAL C C 174.40 0.05 1 965 135 135 VAL CA C 59.99 0.05 1 966 135 135 VAL CB C 32.54 0.05 1 967 135 135 VAL N N 124.74 0.03 1 968 136 136 PRO HA H 4.39 0.01 1 969 136 136 PRO HB2 H 2.26 0.01 2 970 136 136 PRO HB3 H 1.86 0.01 2 971 136 136 PRO C C 176.54 0.05 1 972 136 136 PRO CA C 62.88 0.05 1 973 136 136 PRO CB C 32.13 0.05 1 974 136 136 PRO N N 139.69 0.03 1 975 137 137 GLU H H 8.64 0.01 1 976 137 137 GLU HA H 4.52 0.01 1 977 137 137 GLU HB2 H 2.05 0.01 2 978 137 137 GLU HB3 H 1.89 0.01 2 979 137 137 GLU C C 175.01 0.05 1 980 137 137 GLU CA C 54.36 0.05 1 981 137 137 GLU CB C 29.51 0.05 1 982 137 137 GLU N N 123.06 0.03 1 983 138 138 PRO HA H 4.37 0.01 1 984 138 138 PRO HB2 H 2.31 0.01 2 985 138 138 PRO HB3 H 1.94 0.01 2 986 138 138 PRO C C 177.86 0.05 1 987 138 138 PRO CA C 63.70 0.05 1 988 138 138 PRO CB C 32.00 0.05 1 989 138 138 PRO N N 138.17 0.03 1 990 139 139 GLY H H 8.68 0.01 1 991 139 139 GLY HA2 H 3.92 0.01 1 992 139 139 GLY HA3 H 3.92 0.01 1 993 139 139 GLY C C 174.10 0.05 1 994 139 139 GLY CA C 45.18 0.05 1 995 139 139 GLY N N 109.68 0.03 1 996 140 140 ALA H H 8.11 0.01 1 997 140 140 ALA HA H 4.27 0.01 1 998 140 140 ALA HB H 1.40 0.01 1 999 140 140 ALA C C 177.85 0.05 1 1000 140 140 ALA CA C 52.63 0.05 1 1001 140 140 ALA CB C 19.25 0.05 1 1002 140 140 ALA N N 123.79 0.03 1 1003 141 141 ALA H H 8.43 0.01 1 1004 141 141 ALA HA H 4.30 0.01 1 1005 141 141 ALA HB H 1.38 0.01 1 1006 141 141 ALA C C 178.16 0.05 1 1007 141 141 ALA CA C 52.63 0.05 1 1008 141 141 ALA CB C 18.99 0.05 1 1009 141 141 ALA N N 123.61 0.03 1 1010 142 142 VAL H H 8.22 0.01 1 1011 142 142 VAL HA H 4.03 0.01 1 1012 142 142 VAL HB H 2.05 0.01 1 1013 142 142 VAL C C 176.39 0.05 1 1014 142 142 VAL CA C 62.40 0.05 1 1015 142 142 VAL CB C 32.77 0.05 1 1016 142 142 VAL N N 120.23 0.03 1 1017 143 143 ALA H H 8.49 0.01 1 1018 143 143 ALA HA H 4.26 0.01 1 1019 143 143 ALA HB H 1.39 0.01 1 1020 143 143 ALA C C 177.81 0.05 1 1021 143 143 ALA CA C 52.65 0.05 1 1022 143 143 ALA CB C 19.17 0.05 1 1023 143 143 ALA N N 128.17 0.03 1 1024 144 144 ALA H H 8.42 0.01 1 1025 144 144 ALA HA H 4.28 0.01 1 1026 144 144 ALA HB H 1.41 0.01 1 1027 144 144 ALA C C 178.17 0.05 1 1028 144 144 ALA CA C 52.67 0.05 1 1029 144 144 ALA CB C 19.07 0.05 1 1030 144 144 ALA N N 123.65 0.03 1 1031 145 145 SER H H 8.38 0.01 1 1032 145 145 SER HA H 4.40 0.01 1 1033 145 145 SER HB2 H 3.88 0.01 2 1034 145 145 SER HB3 H 3.88 0.01 2 1035 145 145 SER C C 174.84 0.05 1 1036 145 145 SER CA C 58.50 0.05 1 1037 145 145 SER CB C 63.69 0.05 1 1038 145 145 SER N N 115.36 0.03 1 1039 146 146 LYS H H 8.45 0.01 1 1040 146 146 LYS HA H 4.33 0.01 1 1041 146 146 LYS HB2 H 1.89 0.01 2 1042 146 146 LYS HB3 H 1.79 0.01 2 1043 146 146 LYS C C 177.02 0.05 1 1044 146 146 LYS CA C 56.48 0.05 1 1045 146 146 LYS CB C 32.92 0.05 1 1046 146 146 LYS N N 123.41 0.03 1 1047 147 147 GLY H H 8.43 0.01 1 1048 147 147 GLY HA2 H 3.92 0.01 1 1049 147 147 GLY HA3 H 3.92 0.01 1 1050 147 147 GLY C C 173.74 0.05 1 1051 147 147 GLY CA C 44.92 0.05 1 1052 147 147 GLY N N 109.68 0.03 1 1053 148 148 LEU H H 8.25 0.01 1 1054 148 148 LEU HA H 4.61 0.01 1 1055 148 148 LEU HB2 H 1.56 0.01 2 1056 148 148 LEU HB3 H 1.56 0.01 2 1057 148 148 LEU C C 175.50 0.05 1 1058 148 148 LEU CA C 53.11 0.05 1 1059 148 148 LEU CB C 41.47 0.05 1 1060 148 148 LEU N N 123.05 0.03 1 1061 149 149 PRO HA H 4.41 0.01 1 1062 149 149 PRO HB2 H 2.30 0.01 2 1063 149 149 PRO HB3 H 1.88 0.01 2 1064 149 149 PRO C C 176.91 0.05 1 1065 149 149 PRO CA C 63.10 0.05 1 1066 149 149 PRO CB C 32.02 0.05 1 1067 149 149 PRO N N 136.45 0.03 1 1068 150 150 GLN H H 8.62 0.01 1 1069 150 150 GLN HA H 4.26 0.01 1 1070 150 150 GLN HB2 H 2.07 0.01 2 1071 150 150 GLN HB3 H 1.97 0.01 2 1072 150 150 GLN C C 175.91 0.05 1 1073 150 150 GLN CA C 55.74 0.05 1 1074 150 150 GLN CB C 29.60 0.05 1 1075 150 150 GLN N N 120.94 0.03 1 1076 151 151 GLN H H 8.58 0.01 1 1077 151 151 GLN HA H 4.33 0.01 1 1078 151 151 GLN HB2 H 2.06 0.01 2 1079 151 151 GLN HB3 H 1.96 0.01 2 1080 151 151 GLN C C 175.67 0.05 1 1081 151 151 GLN CA C 55.42 0.05 1 1082 151 151 GLN CB C 29.59 0.05 1 1083 151 151 GLN N N 122.53 0.03 1 1084 152 152 LEU H H 8.58 0.01 1 1085 152 152 LEU HA H 4.60 0.01 1 1086 152 152 LEU HB2 H 1.58 0.01 2 1087 152 152 LEU HB3 H 1.58 0.01 2 1088 152 152 LEU C C 175.15 0.05 1 1089 152 152 LEU CA C 53.08 0.05 1 1090 152 152 LEU CB C 41.51 0.05 1 1091 152 152 LEU N N 126.18 0.03 1 1092 153 153 PRO HA H 4.40 0.01 1 1093 153 153 PRO HB2 H 2.28 0.01 2 1094 153 153 PRO HB3 H 1.88 0.01 2 1095 153 153 PRO C C 176.22 0.05 1 1096 153 153 PRO CA C 62.72 0.05 1 1097 153 153 PRO CB C 32.00 0.05 1 1098 153 153 PRO N N 136.11 0.03 1 1099 154 154 ALA H H 8.51 0.01 1 1100 154 154 ALA HA H 4.57 0.01 1 1101 154 154 ALA HB H 1.34 0.01 1 1102 154 154 ALA C C 175.10 0.05 1 1103 154 154 ALA CA C 50.36 0.05 1 1104 154 154 ALA CB C 17.97 0.05 1 1105 154 154 ALA N N 126.21 0.03 1 1106 155 155 PRO HA H 4.69 0.01 1 1107 155 155 PRO HB2 H 2.34 0.01 2 1108 155 155 PRO HB3 H 1.96 0.01 2 1109 155 155 PRO C C 174.07 0.05 1 1110 155 155 PRO CA C 61.32 0.05 1 1111 155 155 PRO CB C 30.62 0.05 1 1112 155 155 PRO N N 137.49 0.03 1 1113 156 156 PRO N N 140.31 0.03 1 stop_ save_