data_26616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for human CBP-ID4 ; _BMRB_accession_number 26616 _BMRB_flat_file_name bmr26616.str _Entry_type original _Submission_date 2015-07-17 _Accession_date 2015-07-17 _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 Piai Alessandro . . 2 Calcada Eduardo O. . 3 Tarenzi Thomas . . 4 'Del Grande' Alessandro . . 5 Tompa Peter . . 6 Felli Isabella C. . 7 Pierattelli Roberta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 160 "13C chemical shifts" 607 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-22 original BMRB . stop_ _Original_release_date 2016-01-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Just a Flexible Linker? The Structural and Dynamic Properties of CBP-ID4 Revealed by NMR Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26789760 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piai Alessandro . . 2 Calcada Eduardo O. . 3 Tarenzi Thomas . . 4 'Del Grande' Alessandro . . 5 Varadi M. . . 6 Tompa Peter . . 7 Felli Isabella C. . 8 Pierattelli Roberta . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 110 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 372 _Page_last 381 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CBP-ID4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBP-ID4 $CBP-ID4 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_CBP-ID4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP-ID4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MQQQIQHRLQQAQLMRRRMA TMNTRNVPQQSLPSPTSAPP GTPTQQPSTPQTPQPPAQPQ PSPVSMSPAGFPSVARTQPP TTVSTGKPTSQVPAPPPPAQ PPPAAVEAARQIEREAQQQQ HLYRVNINNSMPPGRTGMGT PGSQMAPVSLNVPRPNQVSG PVMPSMPPGQWQQAPLPQQQ PMPGLPRPVISMQAQAAVAG PRMPSVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 GLN 4 4 GLN 5 5 ILE 6 6 GLN 7 7 HIS 8 8 ARG 9 9 LEU 10 10 GLN 11 11 GLN 12 12 ALA 13 13 GLN 14 14 LEU 15 15 MET 16 16 ARG 17 17 ARG 18 18 ARG 19 19 MET 20 20 ALA 21 21 THR 22 22 MET 23 23 ASN 24 24 THR 25 25 ARG 26 26 ASN 27 27 VAL 28 28 PRO 29 29 GLN 30 30 GLN 31 31 SER 32 32 LEU 33 33 PRO 34 34 SER 35 35 PRO 36 36 THR 37 37 SER 38 38 ALA 39 39 PRO 40 40 PRO 41 41 GLY 42 42 THR 43 43 PRO 44 44 THR 45 45 GLN 46 46 GLN 47 47 PRO 48 48 SER 49 49 THR 50 50 PRO 51 51 GLN 52 52 THR 53 53 PRO 54 54 GLN 55 55 PRO 56 56 PRO 57 57 ALA 58 58 GLN 59 59 PRO 60 60 GLN 61 61 PRO 62 62 SER 63 63 PRO 64 64 VAL 65 65 SER 66 66 MET 67 67 SER 68 68 PRO 69 69 ALA 70 70 GLY 71 71 PHE 72 72 PRO 73 73 SER 74 74 VAL 75 75 ALA 76 76 ARG 77 77 THR 78 78 GLN 79 79 PRO 80 80 PRO 81 81 THR 82 82 THR 83 83 VAL 84 84 SER 85 85 THR 86 86 GLY 87 87 LYS 88 88 PRO 89 89 THR 90 90 SER 91 91 GLN 92 92 VAL 93 93 PRO 94 94 ALA 95 95 PRO 96 96 PRO 97 97 PRO 98 98 PRO 99 99 ALA 100 100 GLN 101 101 PRO 102 102 PRO 103 103 PRO 104 104 ALA 105 105 ALA 106 106 VAL 107 107 GLU 108 108 ALA 109 109 ALA 110 110 ARG 111 111 GLN 112 112 ILE 113 113 GLU 114 114 ARG 115 115 GLU 116 116 ALA 117 117 GLN 118 118 GLN 119 119 GLN 120 120 GLN 121 121 HIS 122 122 LEU 123 123 TYR 124 124 ARG 125 125 VAL 126 126 ASN 127 127 ILE 128 128 ASN 129 129 ASN 130 130 SER 131 131 MET 132 132 PRO 133 133 PRO 134 134 GLY 135 135 ARG 136 136 THR 137 137 GLY 138 138 MET 139 139 GLY 140 140 THR 141 141 PRO 142 142 GLY 143 143 SER 144 144 GLN 145 145 MET 146 146 ALA 147 147 PRO 148 148 VAL 149 149 SER 150 150 LEU 151 151 ASN 152 152 VAL 153 153 PRO 154 154 ARG 155 155 PRO 156 156 ASN 157 157 GLN 158 158 VAL 159 159 SER 160 160 GLY 161 161 PRO 162 162 VAL 163 163 MET 164 164 PRO 165 165 SER 166 166 MET 167 167 PRO 168 168 PRO 169 169 GLY 170 170 GLN 171 171 TRP 172 172 GLN 173 173 GLN 174 174 ALA 175 175 PRO 176 176 LEU 177 177 PRO 178 178 GLN 179 179 GLN 180 180 GLN 181 181 PRO 182 182 MET 183 183 PRO 184 184 GLY 185 185 LEU 186 186 PRO 187 187 ARG 188 188 PRO 189 189 VAL 190 190 ILE 191 191 SER 192 192 MET 193 193 GLN 194 194 ALA 195 195 GLN 196 196 ALA 197 197 ALA 198 198 VAL 199 199 ALA 200 200 GLY 201 201 PRO 202 202 ARG 203 203 MET 204 204 PRO 205 205 SER 206 206 VAL 207 207 GLN 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 $CBP-ID4 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 $CBP-ID4 'recombinant technology' . Escherichia coli . pET21a-CBP-ID4 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 $CBP-ID4 0.6 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 processing 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_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Equipped with a cryogenically cooled probehead optimized for 13C-direct detection' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Equipped with a cryogenically cooled probehead' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 950 _Details 'Equipped with a cryogenically cooled probehead' save_ ############################# # NMR applied experiments # ############################# save_2D_CON-IPAP_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON-IPAP' _Sample_label $sample_1 save_ save_3D_(H)CBCACON-IPAP_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CBCACON-IPAP' _Sample_label $sample_1 save_ save_3D_(H)CBCANCO-IPAP_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CBCANCO-IPAP' _Sample_label $sample_1 save_ save_4D_(HCA)CON(CA)CON-IPAP_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (HCA)CON(CA)CON-IPAP' _Sample_label $sample_1 save_ save_4D_(HN)CON(CA)CON-IPAP_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (HN)CON(CA)CON-IPAP' _Sample_label $sample_1 save_ save_2D_BEST-TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D BEST-TROSY' _Sample_label $sample_1 save_ save_3D_BT-HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-HNCO' _Sample_label $sample_1 save_ save_3D_BT-HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_BT-HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-HNCACB' _Sample_label $sample_1 save_ save_3D_BT-HN(CO)CACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_BT-(H)N(COCA)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-(H)N(COCA)NH' _Sample_label $sample_1 save_ save_3D_(H)N(CA)NNH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(CA)NNH' _Sample_label $sample_1 save_ save_5D_BT-(H)NCO(CAN)CONH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '5D BT-(H)NCO(CAN)CONH' _Sample_label $sample_1 save_ save_5D_BT-HN(COCAN)CONH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '5D BT-HN(COCAN)CONH' _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 6.5 . pH temperature 283 . 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 CON-IPAP' '3D (H)CBCACON-IPAP' '3D (H)CBCANCO-IPAP' '4D (HCA)CON(CA)CON-IPAP' '4D (HN)CON(CA)CON-IPAP' '2D BEST-TROSY' '3D BT-HNCO' '3D BT-HN(CA)CO' '3D BT-HNCACB' '3D BT-HN(CO)CACB' '3D BT-(H)N(COCA)NH' '5D BT-(H)NCO(CAN)CONH' '5D BT-HN(COCAN)CONH' 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 CBP-ID4 _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 GLN C C 175.79 0.05 1 2 2 2 GLN CA C 55.96 0.05 1 3 2 2 GLN CB C 29.57 0.05 1 4 3 3 GLN H H 8.81 0.01 1 5 3 3 GLN C C 176.17 0.05 1 6 3 3 GLN CA C 56.27 0.05 1 7 3 3 GLN CB C 29.45 0.05 1 8 3 3 GLN N N 123.19 0.03 1 9 4 4 GLN H H 8.73 0.01 1 10 4 4 GLN C C 176.46 0.05 1 11 4 4 GLN CA C 56.33 0.05 1 12 4 4 GLN CB C 29.37 0.05 1 13 4 4 GLN N N 122.30 0.03 1 14 5 5 ILE H H 8.33 0.01 1 15 5 5 ILE C C 176.51 0.05 1 16 5 5 ILE CA C 61.76 0.05 1 17 5 5 ILE CB C 38.41 0.05 1 18 5 5 ILE N N 122.82 0.03 1 19 6 6 GLN H H 8.53 0.01 1 20 6 6 GLN C C 176.44 0.05 1 21 6 6 GLN CA C 56.51 0.05 1 22 6 6 GLN CB C 29.07 0.05 1 23 6 6 GLN N N 123.70 0.03 1 24 7 7 HIS H H 8.51 0.01 1 25 7 7 HIS C C 175.80 0.05 1 26 7 7 HIS CA C 56.93 0.05 1 27 7 7 HIS CB C 30.10 0.05 1 28 7 7 HIS N N 120.84 0.03 1 29 8 8 ARG H H 8.44 0.01 1 30 8 8 ARG C C 177.44 0.05 1 31 8 8 ARG CA C 57.47 0.05 1 32 8 8 ARG CB C 30.52 0.05 1 33 8 8 ARG N N 121.69 0.03 1 34 9 9 LEU H H 8.42 0.01 1 35 9 9 LEU C C 178.29 0.05 1 36 9 9 LEU CA C 56.21 0.05 1 37 9 9 LEU CB C 41.94 0.05 1 38 9 9 LEU N N 122.69 0.03 1 39 10 10 GLN H H 8.41 0.01 1 40 10 10 GLN C C 177.31 0.05 1 41 10 10 GLN CA C 56.99 0.05 1 42 10 10 GLN CB C 28.95 0.05 1 43 10 10 GLN N N 120.87 0.03 1 44 11 11 GLN H H 8.46 0.01 1 45 11 11 GLN C C 177.10 0.05 1 46 11 11 GLN CA C 57.24 0.05 1 47 11 11 GLN CB C 28.93 0.05 1 48 11 11 GLN N N 120.89 0.03 1 49 12 12 ALA H H 8.36 0.01 1 50 12 12 ALA C C 179.22 0.05 1 51 12 12 ALA CA C 53.97 0.05 1 52 12 12 ALA CB C 18.55 0.05 1 53 12 12 ALA N N 123.71 0.03 1 54 13 13 GLN H H 8.24 0.01 1 55 13 13 GLN C C 177.35 0.05 1 56 13 13 GLN CA C 57.23 0.05 1 57 13 13 GLN CB C 28.83 0.05 1 58 13 13 GLN N N 118.60 0.03 1 59 14 14 LEU H H 8.15 0.01 1 60 14 14 LEU C C 178.47 0.05 1 61 14 14 LEU CA C 56.57 0.05 1 62 14 14 LEU CB C 41.99 0.05 1 63 14 14 LEU N N 122.11 0.03 1 64 15 15 MET H H 8.24 0.01 1 65 15 15 MET C C 177.21 0.05 1 66 15 15 MET CA C 56.51 0.05 1 67 15 15 MET CB C 32.21 0.05 1 68 15 15 MET N N 119.72 0.03 1 69 16 16 ARG H H 8.16 0.01 1 70 16 16 ARG C C 177.46 0.05 1 71 16 16 ARG CA C 57.47 0.05 1 72 16 16 ARG CB C 30.40 0.05 1 73 16 16 ARG N N 121.15 0.03 1 74 17 17 ARG H H 8.23 0.01 1 75 17 17 ARG C C 177.18 0.05 1 76 17 17 ARG CA C 57.18 0.05 1 77 17 17 ARG CB C 30.52 0.05 1 78 17 17 ARG N N 121.26 0.03 1 79 18 18 ARG H H 8.35 0.01 1 80 18 18 ARG C C 177.17 0.05 1 81 18 18 ARG CA C 57.12 0.05 1 82 18 18 ARG CB C 30.52 0.05 1 83 18 18 ARG N N 121.73 0.03 1 84 19 19 MET H H 8.38 0.01 1 85 19 19 MET C C 176.63 0.05 1 86 19 19 MET CA C 55.84 0.05 1 87 19 19 MET CB C 32.80 0.05 1 88 19 19 MET N N 120.74 0.03 1 89 20 20 ALA H H 8.28 0.01 1 90 20 20 ALA C C 178.32 0.05 1 91 20 20 ALA CA C 53.12 0.05 1 92 20 20 ALA CB C 19.05 0.05 1 93 20 20 ALA N N 124.30 0.03 1 94 21 21 THR H H 8.11 0.01 1 95 21 21 THR C C 174.90 0.05 1 96 21 21 THR CA C 62.19 0.05 1 97 21 21 THR CB C 69.74 0.05 1 98 21 21 THR N N 112.64 0.03 1 99 22 22 MET H H 8.33 0.01 1 100 22 22 MET C C 176.07 0.05 1 101 22 22 MET CA C 55.78 0.05 1 102 22 22 MET CB C 32.82 0.05 1 103 22 22 MET N N 122.33 0.03 1 104 23 23 ASN H H 8.55 0.01 1 105 23 23 ASN C C 175.57 0.05 1 106 23 23 ASN CA C 53.42 0.05 1 107 23 23 ASN CB C 38.74 0.05 1 108 23 23 ASN N N 119.96 0.03 1 109 24 24 THR H H 8.20 0.01 1 110 24 24 THR C C 174.64 0.05 1 111 24 24 THR CA C 62.13 0.05 1 112 24 24 THR CB C 69.56 0.05 1 113 24 24 THR N N 114.57 0.03 1 114 25 25 ARG H H 8.39 0.01 1 115 25 25 ARG C C 175.96 0.05 1 116 25 25 ARG CA C 56.27 0.05 1 117 25 25 ARG CB C 30.70 0.05 1 118 25 25 ARG N N 122.82 0.03 1 119 26 26 ASN H H 8.54 0.01 1 120 26 26 ASN C C 174.72 0.05 1 121 26 26 ASN CA C 53.19 0.05 1 122 26 26 ASN CB C 38.79 0.05 1 123 26 26 ASN N N 120.11 0.03 1 124 27 27 VAL H H 8.18 0.01 1 125 27 27 VAL C C 174.41 0.05 1 126 27 27 VAL CA C 60.01 0.05 1 127 27 27 VAL CB C 32.58 0.05 1 128 27 27 VAL N N 122.05 0.03 1 129 28 28 PRO C C 176.96 0.05 1 130 28 28 PRO CA C 63.14 0.05 1 131 28 28 PRO CB C 32.07 0.05 1 132 28 28 PRO N N 139.61 0.03 1 133 29 29 GLN H H 8.65 0.01 1 134 29 29 GLN C C 176.15 0.05 1 135 29 29 GLN CA C 55.96 0.05 1 136 29 29 GLN CB C 29.56 0.05 1 137 29 29 GLN N N 121.25 0.03 1 138 30 30 GLN H H 8.60 0.01 1 139 30 30 GLN C C 175.86 0.05 1 140 30 30 GLN CA C 55.84 0.05 1 141 30 30 GLN CB C 29.62 0.05 1 142 30 30 GLN N N 121.99 0.03 1 143 31 31 SER H H 8.52 0.01 1 144 31 31 SER C C 174.01 0.05 1 145 31 31 SER CA C 58.17 0.05 1 146 31 31 SER CB C 63.75 0.05 1 147 31 31 SER N N 117.94 0.03 1 148 32 32 LEU H H 8.42 0.01 1 149 32 32 LEU C C 175.18 0.05 1 150 32 32 LEU CA C 52.88 0.05 1 151 32 32 LEU CB C 41.82 0.05 1 152 32 32 LEU N N 125.53 0.03 1 153 33 33 PRO C C 176.75 0.05 1 154 33 33 PRO CA C 62.77 0.05 1 155 33 33 PRO CB C 32.01 0.05 1 156 33 33 PRO N N 136.21 0.03 1 157 34 34 SER H H 8.59 0.01 1 158 34 34 SER C C 173.16 0.05 1 159 34 34 SER CA C 56.45 0.05 1 160 34 34 SER CB C 63.20 0.05 1 161 34 34 SER N N 118.01 0.03 1 162 35 35 PRO C C 177.27 0.05 1 163 35 35 PRO CA C 63.35 0.05 1 164 35 35 PRO CB C 32.05 0.05 1 165 35 35 PRO N N 138.18 0.03 1 166 36 36 THR H H 8.32 0.01 1 167 36 36 THR C C 174.59 0.05 1 168 36 36 THR CA C 61.71 0.05 1 169 36 36 THR CB C 69.71 0.05 1 170 36 36 THR N N 113.81 0.03 1 171 37 37 SER H H 8.30 0.01 1 172 37 37 SER C C 173.64 0.05 1 173 37 37 SER CA C 58.14 0.05 1 174 37 37 SER CB C 63.94 0.05 1 175 37 37 SER N N 118.32 0.03 1 176 38 38 ALA H H 8.42 0.01 1 177 38 38 ALA C C 175.03 0.05 1 178 38 38 ALA CA C 50.53 0.05 1 179 38 38 ALA CB C 18.13 0.05 1 180 38 38 ALA N N 127.30 0.03 1 181 39 39 PRO C C 174.93 0.05 1 182 39 39 PRO CA C 61.34 0.05 1 183 39 39 PRO CB C 30.64 0.05 1 184 39 39 PRO N N 137.40 0.03 1 185 40 40 PRO C C 177.55 0.05 1 186 40 40 PRO CA C 63.16 0.05 1 187 40 40 PRO CB C 32.02 0.05 1 188 40 40 PRO N N 136.04 0.03 1 189 41 41 GLY H H 8.62 0.01 1 190 41 41 GLY C C 174.10 0.05 1 191 41 41 GLY CA C 44.96 0.05 1 192 41 41 GLY N N 109.62 0.03 1 193 42 42 THR H H 8.13 0.01 1 194 42 42 THR C C 172.98 0.05 1 195 42 42 THR CA C 60.18 0.05 1 196 42 42 THR CB C 69.77 0.05 1 197 42 42 THR N N 116.99 0.03 1 198 43 43 PRO C C 177.14 0.05 1 199 43 43 PRO CA C 63.15 0.05 1 200 43 43 PRO CB C 32.09 0.05 1 201 43 43 PRO N N 139.64 0.03 1 202 44 44 THR H H 8.41 0.01 1 203 44 44 THR C C 174.53 0.05 1 204 44 44 THR CA C 62.07 0.05 1 205 44 44 THR CB C 69.80 0.05 1 206 44 44 THR N N 115.38 0.03 1 207 45 45 GLN H H 8.51 0.01 1 208 45 45 GLN C C 175.63 0.05 1 209 45 45 GLN CA C 55.54 0.05 1 210 45 45 GLN CB C 29.61 0.05 1 211 45 45 GLN N N 123.12 0.03 1 212 46 46 GLN H H 8.65 0.01 1 213 46 46 GLN C C 174.05 0.05 1 214 46 46 GLN CA C 53.62 0.05 1 215 46 46 GLN CB C 28.74 0.05 1 216 46 46 GLN N N 123.71 0.03 1 217 47 47 PRO C C 176.90 0.05 1 218 47 47 PRO CA C 62.97 0.05 1 219 47 47 PRO CB C 32.13 0.05 1 220 47 47 PRO N N 137.47 0.03 1 221 48 48 SER H H 8.62 0.01 1 222 48 48 SER C C 174.39 0.05 1 223 48 48 SER CA C 58.26 0.05 1 224 48 48 SER CB C 63.76 0.05 1 225 48 48 SER N N 116.80 0.03 1 226 49 49 THR H H 8.31 0.01 1 227 49 49 THR C C 172.87 0.05 1 228 49 49 THR CA C 59.76 0.05 1 229 49 49 THR CB C 69.75 0.05 1 230 49 49 THR N N 118.27 0.03 1 231 50 50 PRO C C 176.93 0.05 1 232 50 50 PRO CA C 63.17 0.05 1 233 50 50 PRO CB C 32.03 0.05 1 234 50 50 PRO N N 138.94 0.03 1 235 51 51 GLN H H 8.67 0.01 1 236 51 51 GLN C C 176.08 0.05 1 237 51 51 GLN CA C 55.61 0.05 1 238 51 51 GLN CB C 29.61 0.05 1 239 51 51 GLN N N 121.14 0.03 1 240 52 52 THR H H 8.38 0.01 1 241 52 52 THR C C 172.71 0.05 1 242 52 52 THR CA C 59.95 0.05 1 243 52 52 THR CB C 69.66 0.05 1 244 52 52 THR N N 118.81 0.03 1 245 53 53 PRO C C 176.73 0.05 1 246 53 53 PRO CA C 63.04 0.05 1 247 53 53 PRO CB C 32.11 0.05 1 248 53 53 PRO N N 139.21 0.03 1 249 54 54 GLN H H 8.64 0.01 1 250 54 54 GLN C C 173.70 0.05 1 251 54 54 GLN CA C 53.39 0.05 1 252 54 54 GLN CB C 28.95 0.05 1 253 54 54 GLN N N 122.51 0.03 1 254 55 55 PRO C C 174.53 0.05 1 255 55 55 PRO CA C 61.36 0.05 1 256 55 55 PRO CB C 30.76 0.05 1 257 55 55 PRO N N 138.98 0.03 1 258 56 56 PRO C C 176.59 0.05 1 259 56 56 PRO CA C 62.58 0.05 1 260 56 56 PRO CB C 32.03 0.05 1 261 56 56 PRO N N 135.52 0.03 1 262 57 57 ALA H H 8.52 0.01 1 263 57 57 ALA C C 177.68 0.05 1 264 57 57 ALA CA C 52.31 0.05 1 265 57 57 ALA CB C 19.16 0.05 1 266 57 57 ALA N N 124.56 0.03 1 267 58 58 GLN H H 8.50 0.01 1 268 58 58 GLN C C 174.02 0.05 1 269 58 58 GLN CA C 53.36 0.05 1 270 58 58 GLN CB C 28.97 0.05 1 271 58 58 GLN N N 120.86 0.03 1 272 59 59 PRO C C 176.71 0.05 1 273 59 59 PRO CA C 62.90 0.05 1 274 59 59 PRO CB C 32.04 0.05 1 275 59 59 PRO N N 137.29 0.03 1 276 60 60 GLN H H 8.64 0.01 1 277 60 60 GLN C C 174.08 0.05 1 278 60 60 GLN CA C 53.38 0.05 1 279 60 60 GLN CB C 28.89 0.05 1 280 60 60 GLN N N 121.94 0.03 1 281 61 61 PRO C C 176.71 0.05 1 282 61 61 PRO CA C 62.88 0.05 1 283 61 61 PRO CB C 32.03 0.05 1 284 61 61 PRO N N 137.27 0.03 1 285 62 62 SER H H 8.61 0.01 1 286 62 62 SER C C 172.87 0.05 1 287 62 62 SER CA C 56.57 0.05 1 288 62 62 SER CB C 63.15 0.05 1 289 62 62 SER N N 118.25 0.03 1 290 63 63 PRO C C 177.04 0.05 1 291 63 63 PRO CA C 63.26 0.05 1 292 63 63 PRO CB C 31.91 0.05 1 293 63 63 PRO N N 138.14 0.03 1 294 64 64 VAL H H 8.31 0.01 1 295 64 64 VAL C C 176.32 0.05 1 296 64 64 VAL CA C 62.37 0.05 1 297 64 64 VAL CB C 32.75 0.05 1 298 64 64 VAL N N 120.41 0.03 1 299 65 65 SER H H 8.45 0.01 1 300 65 65 SER C C 174.44 0.05 1 301 65 65 SER CA C 58.13 0.05 1 302 65 65 SER CB C 63.75 0.05 1 303 65 65 SER N N 119.55 0.03 1 304 66 66 MET H H 8.53 0.01 1 305 66 66 MET C C 176.07 0.05 1 306 66 66 MET CA C 55.12 0.05 1 307 66 66 MET CB C 33.00 0.05 1 308 66 66 MET N N 122.96 0.03 1 309 67 67 SER H H 8.48 0.01 1 310 67 67 SER C C 172.83 0.05 1 311 67 67 SER CA C 56.52 0.05 1 312 67 67 SER CB C 63.22 0.05 1 313 67 67 SER N N 118.90 0.03 1 314 68 68 PRO C C 176.80 0.05 1 315 68 68 PRO CA C 63.41 0.05 1 316 68 68 PRO CB C 31.90 0.05 1 317 68 68 PRO N N 138.30 0.03 1 318 69 69 ALA H H 8.39 0.01 1 319 69 69 ALA C C 178.20 0.05 1 320 69 69 ALA CA C 52.70 0.05 1 321 69 69 ALA CB C 19.09 0.05 1 322 69 69 ALA N N 123.66 0.03 1 323 70 70 GLY H H 8.31 0.01 1 324 70 70 GLY C C 173.45 0.05 1 325 70 70 GLY CA C 44.84 0.05 1 326 70 70 GLY N N 107.63 0.03 1 327 71 71 PHE H H 8.09 0.01 1 328 71 71 PHE C C 173.97 0.05 1 329 71 71 PHE CA C 55.71 0.05 1 330 71 71 PHE CB C 39.10 0.05 1 331 71 71 PHE N N 120.80 0.03 1 332 72 72 PRO C C 176.85 0.05 1 333 72 72 PRO CA C 62.94 0.05 1 334 72 72 PRO CB C 32.03 0.05 1 335 72 72 PRO N N 137.41 0.03 1 336 73 73 SER H H 8.53 0.01 1 337 73 73 SER C C 174.72 0.05 1 338 73 73 SER CA C 58.26 0.05 1 339 73 73 SER CB C 63.76 0.05 1 340 73 73 SER N N 116.81 0.03 1 341 74 74 VAL H H 8.27 0.01 1 342 74 74 VAL C C 175.86 0.05 1 343 74 74 VAL CA C 61.99 0.05 1 344 74 74 VAL CB C 32.75 0.05 1 345 74 74 VAL N N 122.13 0.03 1 346 75 75 ALA H H 8.48 0.01 1 347 75 75 ALA C C 177.68 0.05 1 348 75 75 ALA CA C 52.52 0.05 1 349 75 75 ALA CB C 19.12 0.05 1 350 75 75 ALA N N 128.10 0.03 1 351 76 76 ARG H H 8.49 0.01 1 352 76 76 ARG C C 176.55 0.05 1 353 76 76 ARG CA C 56.01 0.05 1 354 76 76 ARG CB C 30.88 0.05 1 355 76 76 ARG N N 121.13 0.03 1 356 77 77 THR H H 8.32 0.01 1 357 77 77 THR C C 174.24 0.05 1 358 77 77 THR CA C 61.76 0.05 1 359 77 77 THR CB C 69.86 0.05 1 360 77 77 THR N N 116.23 0.03 1 361 78 78 GLN H H 8.56 0.01 1 362 78 78 GLN C C 173.45 0.05 1 363 78 78 GLN CA C 53.53 0.05 1 364 78 78 GLN CB C 28.99 0.05 1 365 78 78 GLN N N 124.38 0.03 1 366 79 79 PRO C C 174.68 0.05 1 367 79 79 PRO CA C 61.50 0.05 1 368 79 79 PRO CB C 30.78 0.05 1 369 79 79 PRO N N 138.87 0.03 1 370 80 80 PRO C C 177.09 0.05 1 371 80 80 PRO CA C 62.75 0.05 1 372 80 80 PRO CB C 32.03 0.05 1 373 80 80 PRO N N 135.44 0.03 1 374 81 81 THR H H 8.42 0.01 1 375 81 81 THR C C 174.76 0.05 1 376 81 81 THR CA C 61.88 0.05 1 377 81 81 THR CB C 69.80 0.05 1 378 81 81 THR N N 114.93 0.03 1 379 82 82 THR H H 8.30 0.01 1 380 82 82 THR C C 174.42 0.05 1 381 82 82 THR CA C 61.82 0.05 1 382 82 82 THR CB C 69.93 0.05 1 383 82 82 THR N N 117.30 0.03 1 384 83 83 VAL H H 8.35 0.01 1 385 83 83 VAL C C 176.25 0.05 1 386 83 83 VAL CA C 62.23 0.05 1 387 83 83 VAL CB C 32.86 0.05 1 388 83 83 VAL N N 123.12 0.03 1 389 84 84 SER H H 8.63 0.01 1 390 84 84 SER C C 174.99 0.05 1 391 84 84 SER CA C 58.09 0.05 1 392 84 84 SER CB C 63.76 0.05 1 393 84 84 SER N N 120.29 0.03 1 394 85 85 THR H H 8.37 0.01 1 395 85 85 THR C C 175.18 0.05 1 396 85 85 THR CA C 61.89 0.05 1 397 85 85 THR CB C 69.74 0.05 1 398 85 85 THR N N 116.04 0.03 1 399 86 86 GLY H H 8.48 0.01 1 400 86 86 GLY C C 173.68 0.05 1 401 86 86 GLY CA C 45.02 0.05 1 402 86 86 GLY N N 111.09 0.03 1 403 87 87 LYS H H 8.27 0.01 1 404 87 87 LYS C C 174.70 0.05 1 405 87 87 LYS CA C 54.21 0.05 1 406 87 87 LYS CB C 32.52 0.05 1 407 87 87 LYS N N 122.20 0.03 1 408 88 88 PRO C C 177.29 0.05 1 409 88 88 PRO CA C 63.06 0.05 1 410 88 88 PRO CB C 32.12 0.05 1 411 88 88 PRO N N 137.52 0.03 1 412 89 89 THR H H 8.46 0.01 1 413 89 89 THR C C 174.70 0.05 1 414 89 89 THR CA C 61.88 0.05 1 415 89 89 THR CB C 69.80 0.05 1 416 89 89 THR N N 114.98 0.03 1 417 90 90 SER H H 8.40 0.01 1 418 90 90 SER C C 174.33 0.05 1 419 90 90 SER CA C 58.20 0.05 1 420 90 90 SER CB C 63.76 0.05 1 421 90 90 SER N N 118.02 0.03 1 422 91 91 GLN H H 8.56 0.01 1 423 91 91 GLN C C 175.76 0.05 1 424 91 91 GLN CA C 55.63 0.05 1 425 91 91 GLN CB C 29.55 0.05 1 426 91 91 GLN N N 122.67 0.03 1 427 92 92 VAL H H 8.34 0.01 1 428 92 92 VAL C C 174.39 0.05 1 429 92 92 VAL CA C 59.98 0.05 1 430 92 92 VAL CB C 32.50 0.05 1 431 92 92 VAL N N 123.68 0.03 1 432 93 93 PRO C C 176.17 0.05 1 433 93 93 PRO CA C 62.81 0.05 1 434 93 93 PRO CB C 32.03 0.05 1 435 93 93 PRO N N 140.04 0.03 1 436 94 94 ALA H H 8.49 0.01 1 437 94 94 ALA C C 175.13 0.05 1 438 94 94 ALA CA C 50.34 0.05 1 439 94 94 ALA CB C 17.95 0.05 1 440 94 94 ALA N N 126.02 0.03 1 441 95 95 PRO C C 174.26 0.05 1 442 95 95 PRO CA C 61.17 0.05 1 443 95 95 PRO CB C 30.51 0.05 1 444 95 95 PRO N N 136.92 0.03 1 445 96 96 PRO C C 174.22 0.05 1 446 96 96 PRO CA C 61.14 0.05 1 447 96 96 PRO CB C 30.51 0.05 1 448 96 96 PRO N N 136.67 0.03 1 449 97 97 PRO C C 174.65 0.05 1 450 97 97 PRO CA C 61.55 0.05 1 451 97 97 PRO CB C 30.94 0.05 1 452 97 97 PRO N N 136.33 0.03 1 453 98 98 PRO C C 176.65 0.05 1 454 98 98 PRO CA C 62.79 0.05 1 455 98 98 PRO CB C 32.18 0.05 1 456 98 98 PRO N N 135.22 0.03 1 457 99 99 ALA H H 8.50 0.01 1 458 99 99 ALA C C 177.68 0.05 1 459 99 99 ALA CA C 52.30 0.05 1 460 99 99 ALA CB C 19.20 0.05 1 461 99 99 ALA N N 124.61 0.03 1 462 100 100 GLN H H 8.46 0.01 1 463 100 100 GLN C C 173.58 0.05 1 464 100 100 GLN CA C 53.31 0.05 1 465 100 100 GLN CB C 29.01 0.05 1 466 100 100 GLN N N 120.82 0.03 1 467 101 101 PRO C C 174.08 0.05 1 468 101 101 PRO CA C 61.10 0.05 1 469 101 101 PRO CB C 30.70 0.05 1 470 101 101 PRO N N 139.00 0.03 1 471 102 102 PRO C C 174.68 0.05 1 472 102 102 PRO CA C 61.50 0.05 1 473 102 102 PRO CB C 30.72 0.05 1 474 102 102 PRO N N 136.36 0.03 1 475 103 103 PRO C C 177.25 0.05 1 476 103 103 PRO CA C 63.41 0.05 1 477 103 103 PRO CB C 32.04 0.05 1 478 103 103 PRO N N 135.25 0.03 1 479 104 104 ALA H H 8.58 0.01 1 480 104 104 ALA C C 178.51 0.05 1 481 104 104 ALA CA C 53.07 0.05 1 482 104 104 ALA CB C 18.91 0.05 1 483 104 104 ALA N N 123.58 0.03 1 484 105 105 ALA H H 8.35 0.01 1 485 105 105 ALA C C 178.99 0.05 1 486 105 105 ALA CA C 53.18 0.05 1 487 105 105 ALA CB C 18.90 0.05 1 488 105 105 ALA N N 123.02 0.03 1 489 106 106 VAL H H 8.08 0.01 1 490 106 106 VAL C C 177.25 0.05 1 491 106 106 VAL CA C 63.70 0.05 1 492 106 106 VAL CB C 32.45 0.05 1 493 106 106 VAL N N 120.16 0.03 1 494 107 107 GLU H H 8.40 0.01 1 495 107 107 GLU C C 177.48 0.05 1 496 107 107 GLU CA C 57.56 0.05 1 497 107 107 GLU CB C 29.74 0.05 1 498 107 107 GLU N N 123.23 0.03 1 499 108 108 ALA H H 8.33 0.01 1 500 108 108 ALA C C 178.89 0.05 1 501 108 108 ALA CA C 53.79 0.05 1 502 108 108 ALA CB C 18.55 0.05 1 503 108 108 ALA N N 124.24 0.03 1 504 109 109 ALA H H 8.13 0.01 1 505 109 109 ALA C C 179.21 0.05 1 506 109 109 ALA CA C 53.67 0.05 1 507 109 109 ALA CB C 18.50 0.05 1 508 109 109 ALA N N 121.70 0.03 1 509 110 110 ARG H H 8.21 0.01 1 510 110 110 ARG C C 177.64 0.05 1 511 110 110 ARG CA C 57.42 0.05 1 512 110 110 ARG CB C 30.49 0.05 1 513 110 110 ARG N N 119.77 0.03 1 514 111 111 GLN H H 8.33 0.01 1 515 111 111 GLN C C 177.04 0.05 1 516 111 111 GLN CA C 57.29 0.05 1 517 111 111 GLN CB C 28.52 0.05 1 518 111 111 GLN N N 121.33 0.03 1 519 112 112 ILE H H 8.07 0.01 1 520 112 112 ILE C C 177.67 0.05 1 521 112 112 ILE CA C 62.91 0.05 1 522 112 112 ILE CB C 38.34 0.05 1 523 112 112 ILE N N 121.43 0.03 1 524 113 113 GLU H H 8.25 0.01 1 525 113 113 GLU C C 177.73 0.05 1 526 113 113 GLU CA C 57.89 0.05 1 527 113 113 GLU CB C 29.78 0.05 1 528 113 113 GLU N N 123.07 0.03 1 529 114 114 ARG H H 8.34 0.01 1 530 114 114 ARG C C 178.06 0.05 1 531 114 114 ARG CA C 57.90 0.05 1 532 114 114 ARG CB C 30.51 0.05 1 533 114 114 ARG N N 121.15 0.03 1 534 115 115 GLU H H 8.41 0.01 1 535 115 115 GLU C C 177.71 0.05 1 536 115 115 GLU CA C 57.93 0.05 1 537 115 115 GLU CB C 29.67 0.05 1 538 115 115 GLU N N 120.71 0.03 1 539 116 116 ALA H H 8.23 0.01 1 540 116 116 ALA C C 179.27 0.05 1 541 116 116 ALA CA C 53.81 0.05 1 542 116 116 ALA CB C 18.49 0.05 1 543 116 116 ALA N N 123.56 0.03 1 544 117 117 GLN H H 8.24 0.01 1 545 117 117 GLN C C 177.37 0.05 1 546 117 117 GLN CA C 57.05 0.05 1 547 117 117 GLN CB C 28.86 0.05 1 548 117 117 GLN N N 118.35 0.03 1 549 118 118 GLN H H 8.28 0.01 1 550 118 118 GLN C C 177.00 0.05 1 551 118 118 GLN CA C 56.93 0.05 1 552 118 118 GLN CB C 28.88 0.05 1 553 118 118 GLN N N 120.11 0.03 1 554 119 119 GLN H H 8.31 0.01 1 555 119 119 GLN C C 176.73 0.05 1 556 119 119 GLN CA C 56.74 0.05 1 557 119 119 GLN CB C 28.94 0.05 1 558 119 119 GLN N N 119.88 0.03 1 559 120 120 GLN H H 8.30 0.01 1 560 120 120 GLN C C 176.42 0.05 1 561 120 120 GLN CA C 56.75 0.05 1 562 120 120 GLN CB C 28.99 0.05 1 563 120 120 GLN N N 119.86 0.03 1 564 121 121 HIS H H 8.38 0.01 1 565 121 121 HIS C C 175.07 0.05 1 566 121 121 HIS CA C 56.38 0.05 1 567 121 121 HIS CB C 29.49 0.05 1 568 121 121 HIS N N 119.04 0.03 1 569 122 122 LEU H H 8.11 0.01 1 570 122 122 LEU C C 177.19 0.05 1 571 122 122 LEU CA C 55.60 0.05 1 572 122 122 LEU CB C 42.18 0.05 1 573 122 122 LEU N N 121.94 0.03 1 574 123 123 TYR H H 8.16 0.01 1 575 123 123 TYR C C 175.75 0.05 1 576 123 123 TYR CA C 58.02 0.05 1 577 123 123 TYR CB C 38.56 0.05 1 578 123 123 TYR N N 120.30 0.03 1 579 124 124 ARG H H 8.14 0.01 1 580 124 124 ARG C C 176.03 0.05 1 581 124 124 ARG CA C 56.08 0.05 1 582 124 124 ARG CB C 30.94 0.05 1 583 124 124 ARG N N 122.58 0.03 1 584 125 125 VAL H H 8.17 0.01 1 585 125 125 VAL C C 175.88 0.05 1 586 125 125 VAL CA C 62.55 0.05 1 587 125 125 VAL CB C 32.70 0.05 1 588 125 125 VAL N N 120.91 0.03 1 589 126 126 ASN H H 8.55 0.01 1 590 126 126 ASN C C 175.46 0.05 1 591 126 126 ASN CA C 53.18 0.05 1 592 126 126 ASN CB C 38.86 0.05 1 593 126 126 ASN N N 122.42 0.03 1 594 127 127 ILE H H 8.23 0.01 1 595 127 127 ILE C C 176.11 0.05 1 596 127 127 ILE CA C 61.59 0.05 1 597 127 127 ILE CB C 38.82 0.05 1 598 127 127 ILE N N 121.58 0.03 1 599 128 128 ASN H H 8.55 0.01 1 600 128 128 ASN C C 175.13 0.05 1 601 128 128 ASN CA C 53.40 0.05 1 602 128 128 ASN CB C 38.70 0.05 1 603 128 128 ASN N N 121.74 0.03 1 604 129 129 ASN H H 8.44 0.01 1 605 129 129 ASN C C 175.21 0.05 1 606 129 129 ASN CA C 53.37 0.05 1 607 129 129 ASN CB C 38.74 0.05 1 608 129 129 ASN N N 119.62 0.03 1 609 130 130 SER H H 8.30 0.01 1 610 130 130 SER C C 174.16 0.05 1 611 130 130 SER CA C 58.53 0.05 1 612 130 130 SER CB C 63.75 0.05 1 613 130 130 SER N N 115.78 0.03 1 614 131 131 MET H H 8.35 0.01 1 615 131 131 MET C C 173.70 0.05 1 616 131 131 MET CA C 53.18 0.05 1 617 131 131 MET CB C 32.87 0.05 1 618 131 131 MET N N 123.14 0.03 1 619 132 132 PRO C C 174.75 0.05 1 620 132 132 PRO CA C 61.34 0.05 1 621 132 132 PRO CB C 30.69 0.05 1 622 132 132 PRO N N 138.92 0.03 1 623 133 133 PRO C C 177.67 0.05 1 624 133 133 PRO CA C 63.01 0.05 1 625 133 133 PRO CB C 31.97 0.05 1 626 133 133 PRO N N 135.37 0.03 1 627 134 134 GLY H H 8.56 0.01 1 628 134 134 GLY C C 174.26 0.05 1 629 134 134 GLY CA C 45.21 0.05 1 630 134 134 GLY N N 109.01 0.03 1 631 135 135 ARG H H 8.33 0.01 1 632 135 135 ARG C C 176.69 0.05 1 633 135 135 ARG CA C 55.90 0.05 1 634 135 135 ARG CB C 30.82 0.05 1 635 135 135 ARG N N 120.61 0.03 1 636 136 136 THR H H 8.34 0.01 1 637 136 136 THR C C 175.16 0.05 1 638 136 136 THR CA C 62.01 0.05 1 639 136 136 THR CB C 69.92 0.05 1 640 136 136 THR N N 115.01 0.03 1 641 137 137 GLY H H 8.58 0.01 1 642 137 137 GLY C C 174.30 0.05 1 643 137 137 GLY CA C 45.36 0.05 1 644 137 137 GLY N N 111.14 0.03 1 645 138 138 MET H H 8.37 0.01 1 646 138 138 MET C C 176.89 0.05 1 647 138 138 MET CA C 55.50 0.05 1 648 138 138 MET CB C 32.82 0.05 1 649 138 138 MET N N 119.67 0.03 1 650 139 139 GLY H H 8.59 0.01 1 651 139 139 GLY C C 173.91 0.05 1 652 139 139 GLY CA C 45.04 0.05 1 653 139 139 GLY N N 110.11 0.03 1 654 140 140 THR H H 8.22 0.01 1 655 140 140 THR C C 173.19 0.05 1 656 140 140 THR CA C 59.83 0.05 1 657 140 140 THR CB C 69.62 0.05 1 658 140 140 THR N N 116.04 0.03 1 659 141 141 PRO C C 177.72 0.05 1 660 141 141 PRO CA C 63.73 0.05 1 661 141 141 PRO CB C 31.91 0.05 1 662 141 141 PRO N N 139.52 0.03 1 663 142 142 GLY H H 8.67 0.01 1 664 142 142 GLY C C 174.47 0.05 1 665 142 142 GLY CA C 45.33 0.05 1 666 142 142 GLY N N 110.04 0.03 1 667 143 143 SER H H 8.22 0.01 1 668 143 143 SER C C 174.68 0.05 1 669 143 143 SER CA C 58.53 0.05 1 670 143 143 SER CB C 63.88 0.05 1 671 143 143 SER N N 115.53 0.03 1 672 144 144 GLN H H 8.55 0.01 1 673 144 144 GLN C C 175.86 0.05 1 674 144 144 GLN CA C 55.72 0.05 1 675 144 144 GLN CB C 29.49 0.05 1 676 144 144 GLN N N 122.00 0.03 1 677 145 145 MET H H 8.41 0.01 1 678 145 145 MET C C 175.63 0.05 1 679 145 145 MET CA C 55.18 0.05 1 680 145 145 MET CB C 33.00 0.05 1 681 145 145 MET N N 121.69 0.03 1 682 146 146 ALA H H 8.42 0.01 1 683 146 146 ALA C C 175.38 0.05 1 684 146 146 ALA CA C 50.58 0.05 1 685 146 146 ALA CB C 18.01 0.05 1 686 146 146 ALA N N 127.04 0.03 1 687 147 147 PRO C C 177.04 0.05 1 688 147 147 PRO CA C 62.73 0.05 1 689 147 147 PRO CB C 32.00 0.05 1 690 147 147 PRO N N 135.62 0.03 1 691 148 148 VAL H H 8.37 0.01 1 692 148 148 VAL C C 176.33 0.05 1 693 148 148 VAL CA C 62.25 0.05 1 694 148 148 VAL CB C 32.75 0.05 1 695 148 148 VAL N N 120.75 0.03 1 696 149 149 SER H H 8.48 0.01 1 697 149 149 SER C C 174.39 0.05 1 698 149 149 SER CA C 58.01 0.05 1 699 149 149 SER CB C 63.78 0.05 1 700 149 149 SER N N 119.69 0.03 1 701 150 150 LEU H H 8.47 0.01 1 702 150 150 LEU C C 177.02 0.05 1 703 150 150 LEU CA C 55.12 0.05 1 704 150 150 LEU CB C 42.42 0.05 1 705 150 150 LEU N N 124.70 0.03 1 706 151 151 ASN H H 8.53 0.01 1 707 151 151 ASN C C 174.63 0.05 1 708 151 151 ASN CA C 53.22 0.05 1 709 151 151 ASN CB C 38.74 0.05 1 710 151 151 ASN N N 119.70 0.03 1 711 152 152 VAL H H 8.09 0.01 1 712 152 152 VAL C C 174.24 0.05 1 713 152 152 VAL CA C 59.83 0.05 1 714 152 152 VAL CB C 32.75 0.05 1 715 152 152 VAL N N 122.07 0.03 1 716 153 153 PRO C C 176.58 0.05 1 717 153 153 PRO CA C 62.88 0.05 1 718 153 153 PRO CB C 32.03 0.05 1 719 153 153 PRO N N 139.42 0.03 1 720 154 154 ARG H H 8.55 0.01 1 721 154 154 ARG C C 174.57 0.05 1 722 154 154 ARG CA C 53.89 0.05 1 723 154 154 ARG CB C 30.15 0.05 1 724 154 154 ARG N N 122.60 0.03 1 725 155 155 PRO C C 176.78 0.05 1 726 155 155 PRO CA C 63.15 0.05 1 727 155 155 PRO CB C 32.03 0.05 1 728 155 155 PRO N N 136.77 0.03 1 729 156 156 ASN H H 8.65 0.01 1 730 156 156 ASN C C 175.14 0.05 1 731 156 156 ASN CA C 53.48 0.05 1 732 156 156 ASN CB C 38.56 0.05 1 733 156 156 ASN N N 118.43 0.03 1 734 157 157 GLN H H 8.38 0.01 1 735 157 157 GLN C C 175.86 0.05 1 736 157 157 GLN CA C 55.78 0.05 1 737 157 157 GLN CB C 29.67 0.05 1 738 157 157 GLN N N 120.75 0.03 1 739 158 158 VAL H H 8.36 0.01 1 740 158 158 VAL C C 176.23 0.05 1 741 158 158 VAL CA C 62.28 0.05 1 742 158 158 VAL CB C 32.81 0.05 1 743 158 158 VAL N N 121.84 0.03 1 744 159 159 SER H H 8.54 0.01 1 745 159 159 SER C C 174.48 0.05 1 746 159 159 SER CA C 58.22 0.05 1 747 159 159 SER CB C 63.94 0.05 1 748 159 159 SER N N 119.92 0.03 1 749 160 160 GLY H H 8.33 0.01 1 750 160 160 GLY C C 171.41 0.05 1 751 160 160 GLY CA C 44.54 0.05 1 752 160 160 GLY N N 111.08 0.03 1 753 161 161 PRO C C 176.90 0.05 1 754 161 161 PRO CA C 62.74 0.05 1 755 161 161 PRO CB C 32.03 0.05 1 756 161 161 PRO N N 134.33 0.03 1 757 162 162 VAL H H 8.41 0.01 1 758 162 162 VAL C C 176.27 0.05 1 759 162 162 VAL CA C 62.40 0.05 1 760 162 162 VAL CB C 32.63 0.05 1 761 162 162 VAL N N 121.24 0.03 1 762 163 163 MET H H 8.62 0.01 1 763 163 163 MET C C 174.22 0.05 1 764 163 163 MET CA C 52.87 0.05 1 765 163 163 MET CB C 32.10 0.05 1 766 163 163 MET N N 126.63 0.03 1 767 164 164 PRO C C 176.75 0.05 1 768 164 164 PRO CA C 62.86 0.05 1 769 164 164 PRO CB C 32.14 0.05 1 770 164 164 PRO N N 136.76 0.03 1 771 165 165 SER H H 8.50 0.01 1 772 165 165 SER C C 174.20 0.05 1 773 165 165 SER CA C 58.26 0.05 1 774 165 165 SER CB C 63.70 0.05 1 775 165 165 SER N N 116.30 0.03 1 776 166 166 MET H H 8.43 0.01 1 777 166 166 MET C C 173.71 0.05 1 778 166 166 MET CA C 53.09 0.05 1 779 166 166 MET CB C 32.63 0.05 1 780 166 166 MET N N 123.41 0.03 1 781 167 167 PRO C C 174.78 0.05 1 782 167 167 PRO CA C 61.36 0.05 1 783 167 167 PRO CB C 30.78 0.05 1 784 167 167 PRO N N 138.91 0.03 1 785 168 168 PRO C C 177.68 0.05 1 786 168 168 PRO CA C 63.13 0.05 1 787 168 168 PRO CB C 32.00 0.05 1 788 168 168 PRO N N 135.33 0.03 1 789 169 169 GLY H H 8.51 0.01 1 790 169 169 GLY C C 174.18 0.05 1 791 169 169 GLY CA C 45.21 0.05 1 792 169 169 GLY N N 109.03 0.03 1 793 170 170 GLN H H 8.19 0.01 1 794 170 170 GLN C C 175.76 0.05 1 795 170 170 GLN CA C 55.96 0.05 1 796 170 170 GLN CB C 29.31 0.05 1 797 170 170 GLN N N 119.74 0.03 1 798 171 171 TRP H H 8.24 0.01 1 799 171 171 TRP C C 176.04 0.05 1 800 171 171 TRP CA C 57.35 0.05 1 801 171 171 TRP CB C 29.37 0.05 1 802 171 171 TRP N N 121.88 0.03 1 803 172 172 GLN H H 8.12 0.01 1 804 172 172 GLN C C 175.15 0.05 1 805 172 172 GLN CA C 55.60 0.05 1 806 172 172 GLN CB C 29.61 0.05 1 807 172 172 GLN N N 122.19 0.03 1 808 173 173 GLN H H 8.26 0.01 1 809 173 173 GLN C C 175.22 0.05 1 810 173 173 GLN CA C 55.54 0.05 1 811 173 173 GLN CB C 29.62 0.05 1 812 173 173 GLN N N 121.59 0.03 1 813 174 174 ALA H H 8.42 0.01 1 814 174 174 ALA C C 175.35 0.05 1 815 174 174 ALA CA C 50.57 0.05 1 816 174 174 ALA CB C 18.07 0.05 1 817 174 174 ALA N N 127.41 0.03 1 818 175 175 PRO C C 176.73 0.05 1 819 175 175 PRO CA C 62.59 0.05 1 820 175 175 PRO CB C 31.89 0.05 1 821 175 175 PRO N N 135.14 0.03 1 822 176 176 LEU H H 8.46 0.01 1 823 176 176 LEU C C 175.57 0.05 1 824 176 176 LEU CA C 53.11 0.05 1 825 176 176 LEU CB C 41.40 0.05 1 826 176 176 LEU N N 123.91 0.03 1 827 177 177 PRO C C 176.94 0.05 1 828 177 177 PRO CA C 62.99 0.05 1 829 177 177 PRO CB C 32.02 0.05 1 830 177 177 PRO N N 136.18 0.03 1 831 178 178 GLN H H 8.59 0.01 1 832 178 178 GLN C C 176.07 0.05 1 833 178 178 GLN CA C 55.81 0.05 1 834 178 178 GLN CB C 29.49 0.05 1 835 178 178 GLN N N 120.46 0.03 1 836 179 179 GLN H H 8.55 0.01 1 837 179 179 GLN C C 175.76 0.05 1 838 179 179 GLN CA C 55.72 0.05 1 839 179 179 GLN CB C 29.49 0.05 1 840 179 179 GLN N N 122.07 0.03 1 841 180 180 GLN H H 8.60 0.01 1 842 180 180 GLN C C 173.87 0.05 1 843 180 180 GLN CA C 53.66 0.05 1 844 180 180 GLN CB C 28.77 0.05 1 845 180 180 GLN N N 123.36 0.03 1 846 181 181 PRO C C 176.66 0.05 1 847 181 181 PRO CA C 62.74 0.05 1 848 181 181 PRO CB C 32.04 0.05 1 849 181 181 PRO N N 136.87 0.03 1 850 182 182 MET H H 8.51 0.01 1 851 182 182 MET C C 174.39 0.05 1 852 182 182 MET CA C 53.90 0.05 1 853 182 182 MET CB C 29.95 0.05 1 854 182 182 MET N N 122.74 0.03 1 855 183 183 PRO C C 177.40 0.05 1 856 183 183 PRO CA C 62.98 0.05 1 857 183 183 PRO CB C 32.03 0.05 1 858 183 183 PRO N N 137.10 0.03 1 859 184 184 GLY H H 8.55 0.01 1 860 184 184 GLY C C 173.81 0.05 1 861 184 184 GLY CA C 44.93 0.05 1 862 184 184 GLY N N 109.26 0.03 1 863 185 185 LEU H H 8.13 0.01 1 864 185 185 LEU C C 175.32 0.05 1 865 185 185 LEU CA C 52.94 0.05 1 866 185 185 LEU CB C 41.64 0.05 1 867 185 185 LEU N N 123.03 0.03 1 868 186 186 PRO C C 176.67 0.05 1 869 186 186 PRO CA C 62.77 0.05 1 870 186 186 PRO CB C 31.94 0.05 1 871 186 186 PRO N N 136.37 0.03 1 872 187 187 ARG H H 8.58 0.01 1 873 187 187 ARG C C 174.39 0.05 1 874 187 187 ARG CA C 53.20 0.05 1 875 187 187 ARG CB C 32.18 0.05 1 876 187 187 ARG N N 122.28 0.03 1 877 188 188 PRO C C 176.73 0.05 1 878 188 188 PRO CA C 63.01 0.05 1 879 188 188 PRO CB C 32.03 0.05 1 880 188 188 PRO N N 136.99 0.03 1 881 189 189 VAL H H 8.44 0.01 1 882 189 189 VAL C C 176.44 0.05 1 883 189 189 VAL CA C 62.49 0.05 1 884 189 189 VAL CB C 32.57 0.05 1 885 189 189 VAL N N 121.68 0.03 1 886 190 190 ILE H H 8.39 0.01 1 887 190 190 ILE C C 176.15 0.05 1 888 190 190 ILE CA C 60.78 0.05 1 889 190 190 ILE CB C 38.62 0.05 1 890 190 190 ILE N N 125.71 0.03 1 891 191 191 SER H H 8.52 0.01 1 892 191 191 SER C C 174.65 0.05 1 893 191 191 SER CA C 58.08 0.05 1 894 191 191 SER CB C 63.78 0.05 1 895 191 191 SER N N 120.60 0.03 1 896 192 192 MET H H 8.62 0.01 1 897 192 192 MET C C 176.54 0.05 1 898 192 192 MET CA C 55.73 0.05 1 899 192 192 MET CB C 32.61 0.05 1 900 192 192 MET N N 123.15 0.03 1 901 193 193 GLN H H 8.45 0.01 1 902 193 193 GLN C C 176.00 0.05 1 903 193 193 GLN CA C 56.20 0.05 1 904 193 193 GLN CB C 29.36 0.05 1 905 193 193 GLN N N 121.45 0.03 1 906 194 194 ALA H H 8.43 0.01 1 907 194 194 ALA C C 178.00 0.05 1 908 194 194 ALA CA C 52.88 0.05 1 909 194 194 ALA CB C 19.03 0.05 1 910 194 194 ALA N N 125.57 0.03 1 911 195 195 GLN H H 8.43 0.01 1 912 195 195 GLN C C 175.94 0.05 1 913 195 195 GLN CA C 55.84 0.05 1 914 195 195 GLN CB C 29.49 0.05 1 915 195 195 GLN N N 119.75 0.03 1 916 196 196 ALA H H 8.37 0.01 1 917 196 196 ALA C C 177.55 0.05 1 918 196 196 ALA CA C 52.57 0.05 1 919 196 196 ALA CB C 19.16 0.05 1 920 196 196 ALA N N 125.38 0.03 1 921 197 197 ALA H H 8.34 0.01 1 922 197 197 ALA C C 177.83 0.05 1 923 197 197 ALA CA C 52.46 0.05 1 924 197 197 ALA CB C 19.14 0.05 1 925 197 197 ALA N N 123.54 0.03 1 926 198 198 VAL H H 8.16 0.01 1 927 198 198 VAL C C 175.93 0.05 1 928 198 198 VAL CA C 62.00 0.05 1 929 198 198 VAL CB C 32.94 0.05 1 930 198 198 VAL N N 119.59 0.03 1 931 199 199 ALA H H 8.48 0.01 1 932 199 199 ALA C C 177.81 0.05 1 933 199 199 ALA CA C 52.46 0.05 1 934 199 199 ALA CB C 19.51 0.05 1 935 199 199 ALA N N 128.21 0.03 1 936 200 200 GLY H H 8.28 0.01 1 937 200 200 GLY C C 171.61 0.05 1 938 200 200 GLY CA C 44.42 0.05 1 939 200 200 GLY N N 108.79 0.03 1 940 201 201 PRO C C 176.98 0.05 1 941 201 201 PRO CA C 62.74 0.05 1 942 201 201 PRO CB C 32.05 0.05 1 943 201 201 PRO N N 134.35 0.03 1 944 202 202 ARG H H 8.57 0.01 1 945 202 202 ARG C C 176.34 0.05 1 946 202 202 ARG CA C 55.86 0.05 1 947 202 202 ARG CB C 30.68 0.05 1 948 202 202 ARG N N 121.55 0.03 1 949 203 203 MET H H 8.58 0.01 1 950 203 203 MET C C 174.30 0.05 1 951 203 203 MET CA C 53.07 0.05 1 952 203 203 MET CB C 32.16 0.05 1 953 203 203 MET N N 123.86 0.03 1 954 204 204 PRO C C 176.78 0.05 1 955 204 204 PRO CA C 62.97 0.05 1 956 204 204 PRO CB C 32.03 0.05 1 957 204 204 PRO N N 136.81 0.03 1 958 205 205 SER H H 8.53 0.01 1 959 205 205 SER C C 174.51 0.05 1 960 205 205 SER CA C 58.24 0.05 1 961 205 205 SER CB C 63.76 0.05 1 962 205 205 SER N N 116.60 0.03 1 963 206 206 VAL H H 8.31 0.01 1 964 206 206 VAL C C 175.39 0.05 1 965 206 206 VAL CA C 62.26 0.05 1 966 206 206 VAL CB C 32.82 0.05 1 967 206 206 VAL N N 122.35 0.03 1 968 207 207 GLN H H 8.13 0.01 1 969 207 207 GLN C C 180.55 0.05 1 970 207 207 GLN CA C 57.47 0.05 1 971 207 207 GLN CB C 30.46 0.05 1 972 207 207 GLN N N 128.95 0.03 1 stop_ save_