data_27583 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of the Pro-domain of mouse proNGF in contact with the NGF domain ; _BMRB_accession_number 27583 _BMRB_flat_file_name bmr27583.str _Entry_type original _Submission_date 2018-08-21 _Accession_date 2018-08-21 _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 Yan Robert . . 2 Yalinca Havva . . 3 Paoletti Francesca . . 4 Gobbo Francesco . . 5 Marchetti Laura . . 6 Kuzmanic Antonija . . 7 Lamba Doriano . . 8 Gervasio Francesco V. . 9 Konarev Petr V. . 10 Cattaneo Antonino . . 11 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 91 "13C chemical shifts" 249 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-04 update BMRB 'update entry citation' 2018-09-21 original author 'original release' stop_ _Original_release_date 2018-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of the Pro-domain of mouse proNGF in contact with the NGF domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30393051 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Robert . . 2 Yalinca Havva . . 3 Paoletti Francesca . . 4 Gobbo Francesco . . 5 Marchetti Laura . . 6 Kuzmanic Antonija . . 7 Lamba Doriano . . 8 Gervasio Francesco . . 9 Konarev Petr V. . 10 Cattaneo Antonino . . 11 Pastore Annalisa . . stop_ _Journal_abbreviation Structure _Journal_volume 27 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 78 _Page_last 89 _Year 2019 _Details . loop_ _Keyword NGF Pro-domain stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NGF Pro-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NGF Pro-domain' $NGF_pro-domain stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NGF_pro-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NGF_pro-domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MEPYTDSNVPEGDSVPEAHW TKLQHSLDTALRRARSAPTA PIAARVTGQTRNITVDPRLF KKRRLHSPRVLFSTQPPPTS SDTLDLDFQAHGTIPFNRTH RSKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 MET 2 19 GLU 3 20 PRO 4 21 TYR 5 22 THR 6 23 ASP 7 24 SER 8 25 ASN 9 26 VAL 10 27 PRO 11 28 GLU 12 29 GLY 13 30 ASP 14 31 SER 15 32 VAL 16 33 PRO 17 34 GLU 18 35 ALA 19 36 HIS 20 37 TRP 21 38 THR 22 39 LYS 23 40 LEU 24 41 GLN 25 42 HIS 26 43 SER 27 44 LEU 28 45 ASP 29 46 THR 30 47 ALA 31 48 LEU 32 49 ARG 33 50 ARG 34 51 ALA 35 52 ARG 36 53 SER 37 54 ALA 38 55 PRO 39 56 THR 40 57 ALA 41 58 PRO 42 59 ILE 43 60 ALA 44 61 ALA 45 62 ARG 46 63 VAL 47 64 THR 48 65 GLY 49 66 GLN 50 67 THR 51 68 ARG 52 69 ASN 53 70 ILE 54 71 THR 55 72 VAL 56 73 ASP 57 74 PRO 58 75 ARG 59 76 LEU 60 77 PHE 61 78 LYS 62 79 LYS 63 80 ARG 64 81 ARG 65 82 LEU 66 83 HIS 67 84 SER 68 85 PRO 69 86 ARG 70 87 VAL 71 88 LEU 72 89 PHE 73 90 SER 74 91 THR 75 92 GLN 76 93 PRO 77 94 PRO 78 95 PRO 79 96 THR 80 97 SER 81 98 SER 82 99 ASP 83 100 THR 84 101 LEU 85 102 ASP 86 103 LEU 87 104 ASP 88 105 PHE 89 106 GLN 90 107 ALA 91 108 HIS 92 109 GLY 93 110 THR 94 111 ILE 95 112 PRO 96 113 PHE 97 114 ASN 98 115 ARG 99 116 THR 100 117 HIS 101 118 ARG 102 119 SER 103 120 LYS 104 121 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NGF_pro-domain Mouse 10090 Eukaryota Metazoa Mus musculus 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 $NGF_pro-domain 'recombinant technology' . Escherichia coli . pET-11 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 $NGF_pro-domain 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMR-STAR _Saveframe_category software _Name NMR-STAR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 50 . mM pH 6.8 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 'NGF Pro-domain' _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 20 3 PRO C C 176.397 0.000 1 2 21 4 TYR H H 8.172 0.000 1 3 21 4 TYR CA C 57.945 0.000 1 4 21 4 TYR CB C 38.652 0.000 1 5 21 4 TYR N N 120.181 0.000 1 6 22 5 THR H H 7.962 0.000 1 7 22 5 THR C C 173.629 0.000 1 8 22 5 THR CA C 61.392 0.000 1 9 22 5 THR CB C 70.287 0.000 1 10 22 5 THR N N 116.430 0.000 1 11 23 6 ASP H H 8.236 0.000 1 12 23 6 ASP C C 176.244 0.000 1 13 23 6 ASP CA C 54.403 0.000 1 14 23 6 ASP CB C 41.311 0.000 1 15 23 6 ASP N N 122.843 0.000 1 16 24 7 SER H H 8.225 0.000 1 17 24 7 SER C C 174.286 0.000 1 18 24 7 SER CA C 58.860 0.000 1 19 24 7 SER CB C 63.899 0.000 1 20 24 7 SER N N 116.035 0.000 1 21 25 8 ASN H H 8.449 0.000 1 22 25 8 ASN HD21 H 6.869 0.000 9 23 25 8 ASN HD22 H 7.603 0.000 9 24 25 8 ASN C C 174.660 0.000 1 25 25 8 ASN CA C 53.564 0.000 1 26 25 8 ASN CB C 38.912 0.000 1 27 25 8 ASN N N 120.817 0.000 1 28 25 8 ASN ND2 N 113.187 0.000 1 29 26 9 VAL H H 7.980 0.000 1 30 26 9 VAL CA C 60.011 0.000 1 31 26 9 VAL CB C 32.580 0.000 1 32 26 9 VAL N N 121.479 0.000 1 33 27 10 PRO C C 176.848 0.000 1 34 28 11 GLU H H 8.504 0.000 1 35 28 11 GLU C C 177.127 0.000 1 36 28 11 GLU CA C 57.175 0.000 1 37 28 11 GLU CB C 30.264 0.000 1 38 28 11 GLU N N 121.387 0.000 1 39 29 12 GLY H H 8.381 0.000 1 40 29 12 GLY C C 173.848 0.000 1 41 29 12 GLY CA C 45.516 0.000 1 42 29 12 GLY N N 109.998 0.000 1 43 30 13 ASP H H 8.226 0.000 1 44 30 13 ASP C C 176.295 0.000 1 45 30 13 ASP CA C 54.473 0.000 1 46 30 13 ASP CB C 41.411 0.000 1 47 30 13 ASP N N 120.458 0.000 1 48 31 14 SER H H 8.209 0.000 1 49 31 14 SER C C 174.146 0.000 1 50 31 14 SER CA C 58.479 0.000 1 51 31 14 SER CB C 64.085 0.000 1 52 31 14 SER N N 115.661 0.000 1 53 32 15 VAL H H 8.127 0.000 1 54 32 15 VAL CA C 60.134 0.000 1 55 32 15 VAL CB C 32.493 0.000 1 56 32 15 VAL N N 122.857 0.000 1 57 33 16 PRO C C 177.030 0.000 1 58 34 17 GLU H H 8.413 0.000 1 59 34 17 GLU C C 176.759 0.000 1 60 34 17 GLU CA C 57.530 0.000 1 61 34 17 GLU CB C 29.906 0.000 1 62 34 17 GLU N N 120.808 0.000 1 63 35 18 ALA H H 8.229 0.000 1 64 35 18 ALA C C 177.867 0.000 1 65 35 18 ALA CA C 53.156 0.000 1 66 35 18 ALA CB C 18.801 0.000 1 67 35 18 ALA N N 123.487 0.000 1 68 36 19 HIS H H 8.117 0.000 1 69 36 19 HIS C C 175.949 0.000 1 70 36 19 HIS CA C 57.430 0.000 1 71 36 19 HIS CB C 30.570 0.000 1 72 36 19 HIS N N 117.986 0.000 1 73 37 20 TRP H H 7.808 0.000 1 74 37 20 TRP HE1 H 10.148 0.000 1 75 37 20 TRP C C 177.119 0.000 1 76 37 20 TRP CA C 58.121 0.000 1 77 37 20 TRP CB C 29.246 0.000 1 78 37 20 TRP N N 121.089 0.000 1 79 37 20 TRP NE1 N 129.486 0.000 1 80 38 21 THR H H 7.904 0.000 1 81 38 21 THR C C 175.006 0.000 1 82 38 21 THR CA C 63.068 0.000 1 83 38 21 THR CB C 69.750 0.000 1 84 38 21 THR N N 114.674 0.000 1 85 39 22 LYS H H 7.960 0.000 1 86 39 22 LYS C C 177.260 0.000 1 87 39 22 LYS CA C 57.449 0.000 1 88 39 22 LYS CB C 32.547 0.000 1 89 39 22 LYS N N 122.247 0.000 1 90 40 23 LEU H H 7.940 0.000 1 91 40 23 LEU C C 177.794 0.000 1 92 40 23 LEU CA C 55.872 0.000 1 93 40 23 LEU CB C 42.182 0.000 1 94 40 23 LEU N N 121.717 0.000 1 95 41 24 GLN H H 8.134 0.000 1 96 41 24 GLN CA C 56.848 0.000 1 97 41 24 GLN CB C 28.926 0.000 1 98 41 24 GLN N N 119.825 0.000 1 99 43 26 SER C C 175.059 0.000 1 100 44 27 LEU H H 8.268 0.000 1 101 44 27 LEU C C 177.583 0.000 1 102 44 27 LEU CA C 55.949 0.000 1 103 44 27 LEU CB C 42.241 0.000 1 104 44 27 LEU N N 123.857 0.000 1 105 45 28 ASP H H 8.256 0.000 1 106 45 28 ASP C C 177.371 0.000 1 107 45 28 ASP CA C 55.797 0.000 1 108 45 28 ASP CB C 41.290 0.000 1 109 45 28 ASP N N 120.545 0.000 1 110 46 29 THR H H 8.021 0.000 1 111 46 29 THR C C 175.266 0.000 1 112 46 29 THR CA C 63.552 0.000 1 113 46 29 THR CB C 69.378 0.000 1 114 46 29 THR N N 114.582 0.000 1 115 47 30 ALA H H 8.131 0.000 1 116 47 30 ALA CA C 53.935 0.000 1 117 47 30 ALA CB C 18.623 0.000 1 118 47 30 ALA N N 124.889 0.000 1 119 48 31 LEU H H 7.982 0.000 1 120 48 31 LEU C C 177.976 0.000 1 121 48 31 LEU CA C 56.004 0.000 1 122 48 31 LEU CB C 42.122 0.000 1 123 48 31 LEU N N 119.572 0.000 1 124 49 32 ARG H H 8.010 0.000 1 125 49 32 ARG C C 176.998 0.000 1 126 49 32 ARG CA C 57.214 0.000 1 127 49 32 ARG CB C 30.375 0.000 1 128 49 32 ARG N N 120.302 0.000 1 129 50 33 ARG H H 8.133 0.000 1 130 50 33 ARG C C 176.467 0.000 1 131 50 33 ARG CA C 57.052 0.000 1 132 50 33 ARG CB C 30.580 0.000 1 133 50 33 ARG N N 120.985 0.000 1 134 51 34 ALA H H 8.141 0.000 1 135 51 34 ALA C C 177.937 0.000 1 136 51 34 ALA CA C 52.969 0.000 1 137 51 34 ALA CB C 19.096 0.000 1 138 51 34 ALA N N 124.317 0.000 1 139 52 35 ARG H H 8.198 0.000 1 140 52 35 ARG C C 176.415 0.000 1 141 52 35 ARG CA C 56.387 0.000 1 142 52 35 ARG CB C 30.717 0.000 1 143 52 35 ARG N N 119.576 0.000 1 144 53 36 SER H H 8.181 0.000 1 145 53 36 SER C C 173.632 0.000 1 146 53 36 SER CA C 58.351 0.000 1 147 53 36 SER CB C 64.094 0.000 1 148 53 36 SER N N 116.490 0.000 1 149 54 37 ALA H H 8.203 0.000 1 150 54 37 ALA CA C 50.731 0.000 1 151 54 37 ALA CB C 18.165 0.000 1 152 54 37 ALA N N 126.797 0.000 1 153 55 38 PRO C C 177.074 0.000 1 154 56 39 THR H H 8.152 0.000 1 155 56 39 THR C C 173.988 0.000 1 156 56 39 THR CA C 61.604 0.000 1 157 56 39 THR CB C 70.037 0.000 1 158 56 39 THR N N 114.112 0.000 1 159 57 40 ALA H H 8.213 0.000 1 160 57 40 ALA CA C 50.624 0.000 1 161 57 40 ALA CB C 18.239 0.000 1 162 57 40 ALA N N 127.686 0.000 1 163 58 41 PRO C C 176.888 0.000 1 164 59 42 ILE H H 8.165 0.000 1 165 59 42 ILE C C 176.107 0.000 1 166 59 42 ILE CA C 61.228 0.000 1 167 59 42 ILE CB C 38.742 0.000 1 168 59 42 ILE N N 121.070 0.000 1 169 60 43 ALA H H 8.303 0.000 1 170 60 43 ALA C C 177.220 0.000 1 171 60 43 ALA CA C 52.463 0.000 1 172 60 43 ALA CB C 19.200 0.000 1 173 60 43 ALA N N 127.977 0.000 1 174 61 44 ALA H H 8.166 0.000 1 175 61 44 ALA C C 177.584 0.000 1 176 61 44 ALA CA C 52.410 0.000 1 177 61 44 ALA CB C 19.258 0.000 1 178 61 44 ALA N N 123.299 0.000 1 179 62 45 ARG H H 8.232 0.000 1 180 62 45 ARG C C 176.311 0.000 1 181 62 45 ARG CA C 56.201 0.000 1 182 62 45 ARG CB C 30.807 0.000 1 183 62 45 ARG N N 120.442 0.000 1 184 63 46 VAL H H 8.220 0.000 1 185 63 46 VAL C C 176.368 0.000 1 186 63 46 VAL CA C 62.585 0.000 1 187 63 46 VAL CB C 32.771 0.000 1 188 63 46 VAL N N 121.719 0.000 1 189 64 47 THR H H 8.240 0.000 1 190 64 47 THR C C 175.048 0.000 1 191 64 47 THR CA C 62.189 0.000 1 192 64 47 THR CB C 70.150 0.000 1 193 64 47 THR N N 117.856 0.000 1 194 65 48 GLY H H 8.454 0.000 1 195 65 48 GLY C C 174.111 0.000 1 196 65 48 GLY CA C 45.546 0.000 1 197 65 48 GLY N N 111.137 0.000 1 198 66 49 GLN H H 8.268 0.000 1 199 66 49 GLN C C 176.261 0.000 1 200 66 49 GLN CA C 55.894 0.000 1 201 66 49 GLN CB C 29.506 0.000 1 202 66 49 GLN N N 119.830 0.000 1 203 67 50 THR H H 8.254 0.000 1 204 67 50 THR C C 174.387 0.000 1 205 67 50 THR CA C 62.322 0.000 1 206 67 50 THR CB C 69.877 0.000 1 207 67 50 THR N N 115.927 0.000 1 208 68 51 ARG H H 8.365 0.000 1 209 68 51 ARG C C 175.677 0.000 1 210 68 51 ARG CA C 56.127 0.000 1 211 68 51 ARG CB C 30.930 0.000 1 212 68 51 ARG N N 123.306 0.000 1 213 69 52 ASN H H 8.494 0.000 1 214 69 52 ASN HD21 H 6.884 0.000 9 215 69 52 ASN HD22 H 7.580 0.000 9 216 69 52 ASN C C 174.895 0.000 1 217 69 52 ASN CA C 53.559 0.000 1 218 69 52 ASN CB C 38.854 0.000 1 219 69 52 ASN N N 120.337 0.000 1 220 69 52 ASN ND2 N 112.952 0.000 1 221 70 53 ILE H H 8.122 0.000 1 222 70 53 ILE C C 176.163 0.000 1 223 70 53 ILE CA C 61.217 0.000 1 224 70 53 ILE CB C 38.870 0.000 1 225 70 53 ILE N N 121.096 0.000 1 226 71 54 THR H H 8.272 0.000 1 227 71 54 THR C C 174.160 0.000 1 228 71 54 THR CA C 62.004 0.000 1 229 71 54 THR CB C 69.925 0.000 1 230 71 54 THR N N 119.099 0.000 1 231 72 55 VAL H H 8.127 0.000 1 232 72 55 VAL C C 175.047 0.000 1 233 72 55 VAL CA C 61.865 0.000 1 234 72 55 VAL CB C 32.750 0.000 1 235 72 55 VAL N N 123.025 0.000 1 236 73 56 ASP H H 8.323 0.000 1 237 73 56 ASP CA C 51.710 0.000 1 238 73 56 ASP CB C 41.838 0.000 1 239 73 56 ASP N N 126.286 0.000 1 240 74 57 PRO C C 178.020 0.000 1 241 75 58 ARG H H 8.408 0.000 1 242 75 58 ARG C C 177.373 0.000 1 243 75 58 ARG CA C 57.624 0.000 1 244 75 58 ARG CB C 29.969 0.000 1 245 75 58 ARG N N 118.551 0.000 1 246 76 59 LEU H H 7.757 0.000 1 247 76 59 LEU C C 177.373 0.000 1 248 76 59 LEU CA C 55.596 0.000 1 249 76 59 LEU CB C 41.977 0.000 1 250 76 59 LEU N N 119.239 0.000 1 251 77 60 PHE H H 7.759 0.000 1 252 77 60 PHE C C 175.776 0.000 1 253 77 60 PHE CA C 57.929 0.000 1 254 77 60 PHE CB C 39.204 0.000 1 255 77 60 PHE N N 119.237 0.000 1 256 78 61 LYS H H 7.955 0.000 1 257 78 61 LYS C C 176.332 0.000 1 258 78 61 LYS CA C 56.711 0.000 1 259 78 61 LYS CB C 32.999 0.000 1 260 78 61 LYS N N 121.812 0.000 1 261 79 62 LYS H H 8.143 0.000 1 262 79 62 LYS C C 176.525 0.000 1 263 79 62 LYS CA C 56.724 0.000 1 264 79 62 LYS CB C 32.933 0.000 1 265 79 62 LYS N N 121.916 0.000 1 266 80 63 ARG H H 8.274 0.000 1 267 80 63 ARG C C 176.105 0.000 1 268 80 63 ARG CA C 56.461 0.000 1 269 80 63 ARG CB C 30.819 0.000 1 270 80 63 ARG N N 122.225 0.000 1 271 81 64 ARG H H 8.377 0.000 1 272 81 64 ARG C C 175.998 0.000 1 273 81 64 ARG CA C 56.223 0.000 1 274 81 64 ARG CB C 30.705 0.000 1 275 81 64 ARG N N 122.573 0.000 1 276 82 65 LEU H H 8.267 0.000 1 277 82 65 LEU CA C 55.585 0.000 1 278 82 65 LEU CB C 42.458 0.000 1 279 82 65 LEU N N 123.533 0.000 1 280 83 66 HIS H H 8.309 0.000 1 281 83 66 HIS C C 174.905 0.000 1 282 83 66 HIS CA C 55.915 0.000 1 283 83 66 HIS CB C 30.761 0.000 1 284 83 66 HIS N N 120.209 0.000 1 285 84 67 SER H H 8.297 0.000 1 286 84 67 SER CA C 56.205 0.000 1 287 84 67 SER CB C 63.406 0.000 1 288 84 67 SER N N 118.747 0.000 1 289 85 68 PRO C C 176.639 0.000 1 290 86 69 ARG H H 8.354 0.000 1 291 86 69 ARG C C 176.178 0.000 1 292 86 69 ARG CA C 56.410 0.000 1 293 86 69 ARG CB C 30.738 0.000 1 294 86 69 ARG N N 121.201 0.000 1 295 87 70 VAL H H 8.071 0.000 1 296 87 70 VAL C C 175.629 0.000 1 297 87 70 VAL CA C 62.344 0.000 1 298 87 70 VAL CB C 32.739 0.000 1 299 87 70 VAL N N 121.593 0.000 1 300 88 71 LEU H H 8.207 0.000 1 301 88 71 LEU C C 176.695 0.000 1 302 88 71 LEU CA C 55.181 0.000 1 303 88 71 LEU CB C 42.569 0.000 1 304 88 71 LEU N N 125.763 0.000 1 305 89 72 PHE H H 8.149 0.000 1 306 89 72 PHE C C 175.541 0.000 1 307 89 72 PHE CA C 57.625 0.000 1 308 89 72 PHE CB C 39.762 0.000 1 309 89 72 PHE N N 120.555 0.000 1 310 90 73 SER H H 8.211 0.000 1 311 90 73 SER C C 174.535 0.000 1 312 90 73 SER CA C 57.988 0.000 1 313 90 73 SER CB C 64.126 0.000 1 314 90 73 SER N N 116.726 0.000 1 315 91 74 THR H H 8.158 0.000 1 316 91 74 THR C C 174.207 0.000 1 317 91 74 THR CA C 61.897 0.000 1 318 91 74 THR CB C 69.886 0.000 1 319 91 74 THR N N 115.491 0.000 1 320 92 75 GLN H H 8.258 0.000 1 321 92 75 GLN CA C 53.783 0.000 1 322 92 75 GLN CB C 29.096 0.000 1 323 92 75 GLN N N 123.547 0.000 1 324 95 78 PRO C C 177.151 0.000 1 325 96 79 THR H H 8.222 0.000 1 326 96 79 THR C C 174.668 0.000 1 327 96 79 THR CA C 61.726 0.000 1 328 96 79 THR CB C 70.198 0.000 1 329 96 79 THR N N 113.851 0.000 1 330 97 80 SER H H 8.330 0.000 1 331 97 80 SER C C 174.647 0.000 1 332 97 80 SER CA C 58.402 0.000 1 333 97 80 SER CB C 64.121 0.000 1 334 97 80 SER N N 117.720 0.000 1 335 98 81 SER H H 8.418 0.000 1 336 98 81 SER C C 174.311 0.000 1 337 98 81 SER CA C 58.779 0.000 1 338 98 81 SER CB C 64.122 0.000 1 339 98 81 SER N N 117.601 0.000 1 340 99 82 ASP H H 8.331 0.000 1 341 99 82 ASP C C 176.431 0.000 1 342 99 82 ASP CA C 54.888 0.000 1 343 99 82 ASP CB C 41.203 0.000 1 344 99 82 ASP N N 122.241 0.000 1 345 100 83 THR H H 8.011 0.000 1 346 100 83 THR C C 174.485 0.000 1 347 100 83 THR CA C 62.235 0.000 1 348 100 83 THR CB C 69.922 0.000 1 349 100 83 THR N N 113.761 0.000 1 350 101 84 LEU H H 8.140 0.000 1 351 101 84 LEU C C 176.891 0.000 1 352 101 84 LEU CA C 55.591 0.000 1 353 101 84 LEU CB C 42.439 0.000 1 354 101 84 LEU N N 124.196 0.000 1 355 102 85 ASP H H 8.264 0.000 1 356 102 85 ASP CA C 54.445 0.000 1 357 102 85 ASP CB C 40.972 0.000 1 358 102 85 ASP N N 121.207 0.000 1 359 103 86 LEU H H 8.086 0.000 1 360 103 86 LEU C C 177.387 0.000 1 361 103 86 LEU N N 122.395 0.000 1 362 104 87 ASP H H 8.266 0.000 1 363 104 87 ASP C C 176.386 0.000 1 364 104 87 ASP CA C 54.706 0.000 1 365 104 87 ASP CB C 40.984 0.000 1 366 104 87 ASP N N 120.169 0.000 1 367 105 88 PHE H H 7.999 0.000 1 368 105 88 PHE C C 176.056 0.000 1 369 105 88 PHE CA C 58.745 0.000 1 370 105 88 PHE CB C 39.173 0.000 1 371 105 88 PHE N N 120.518 0.000 1 372 106 89 GLN H H 8.099 0.000 1 373 106 89 GLN C C 175.634 0.000 1 374 106 89 GLN CA C 56.041 0.000 1 375 106 89 GLN CB C 29.030 0.000 1 376 106 89 GLN N N 120.852 0.000 1 377 107 90 ALA H H 8.022 0.000 1 378 107 90 ALA C C 177.719 0.000 1 379 107 90 ALA CA C 52.977 0.000 1 380 107 90 ALA CB C 19.048 0.000 1 381 107 90 ALA N N 123.901 0.000 1 382 108 91 HIS H H 8.173 0.000 1 383 108 91 HIS C C 175.809 0.000 1 384 108 91 HIS CA C 56.303 0.000 1 385 108 91 HIS CB C 30.360 0.000 1 386 108 91 HIS N N 117.780 0.000 1 387 109 92 GLY H H 8.298 0.000 1 388 109 92 GLY C C 174.152 0.000 1 389 109 92 GLY CA C 45.503 0.000 1 390 109 92 GLY N N 109.734 0.000 1 391 110 93 THR H H 8.045 0.000 1 392 110 93 THR C C 174.318 0.000 1 393 110 93 THR CA C 62.057 0.000 1 394 110 93 THR CB C 70.130 0.000 1 395 110 93 THR N N 113.799 0.000 1 396 111 94 ILE H H 8.167 0.000 1 397 111 94 ILE CA C 59.072 0.000 1 398 111 94 ILE CB C 38.667 0.000 1 399 111 94 ILE N N 124.698 0.000 1 400 112 95 PRO C C 176.572 0.000 1 401 113 96 PHE H H 8.180 0.000 1 402 113 96 PHE C C 175.509 0.000 1 403 113 96 PHE CA C 58.190 0.000 1 404 113 96 PHE CB C 39.616 0.000 1 405 113 96 PHE N N 120.520 0.000 1 406 114 97 ASN H H 8.283 0.000 1 407 114 97 ASN C C 174.872 0.000 1 408 114 97 ASN CA C 53.252 0.000 1 409 114 97 ASN CB C 38.938 0.000 1 410 114 97 ASN N N 120.182 0.000 1 411 115 98 ARG H H 8.195 0.000 1 412 115 98 ARG C C 176.369 0.000 1 413 115 98 ARG CA C 56.520 0.000 1 414 115 98 ARG CB C 30.684 0.000 1 415 115 98 ARG N N 121.446 0.000 1 416 116 99 THR H H 8.109 0.000 1 417 116 99 THR CA C 62.486 0.000 1 418 116 99 THR CB C 69.970 0.000 1 419 116 99 THR N N 114.520 0.000 1 420 119 102 SER C C 174.301 0.000 1 421 120 103 LYS H H 8.339 0.000 1 422 120 103 LYS C C 175.539 0.000 1 423 120 103 LYS CA C 56.580 0.000 1 424 120 103 LYS CB C 33.100 0.000 1 425 120 103 LYS N N 123.762 0.000 1 426 121 104 ARG H H 7.973 0.000 1 427 121 104 ARG CA C 57.647 0.000 1 428 121 104 ARG CB C 31.413 0.000 1 429 121 104 ARG N N 127.612 0.000 1 stop_ save_