data_11593 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Effects of linker length and transient secondary structure elements in the intrinsically disordered RAM region of NICD on Notch signaling ; _BMRB_accession_number 11593 _BMRB_flat_file_name bmr11593.str _Entry_type original _Submission_date 2015-05-21 _Accession_date 2015-05-21 _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 Sherry Kathryn P. . 2 Johnson Scott E. . 3 Hatem Christine . . 4 Majumdar Ananya . . 5 Barrick Doug . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 "13C chemical shifts" 282 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-01 original BMRB . stop_ _Original_release_date 2016-07-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Effects of Linker Length and Transient Secondary Structure Elements in the Intrinsically Disordered Notch RAM Region on Notch Signaling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26344835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sherry Kathryn P. . 2 Johnson Scott E. . 3 Hatem Christine . . 4 Majumdar Ananya . . 5 Barrick Doug . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 427 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3587 _Page_last 3597 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RAM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RAM $RAM 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_RAM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RAM _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MMARKRRRQHGQLWFPEGFK VSEASKKKRREPLGEDSVGL KPLKNASDGALMDDNQNEWG DEDLETKKFRFEEPVVLPDL DDQTDHRQWTQQHLDAADLR MSAMAPTPPQGEVDADCMDV NVRGPDGFTPLLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 MET 3 3 ALA 4 4 ARG 5 5 LYS 6 6 ARG 7 7 ARG 8 8 ARG 9 9 GLN 10 10 HIS 11 11 GLY 12 12 GLN 13 13 LEU 14 14 TRP 15 15 PHE 16 16 PRO 17 17 GLU 18 18 GLY 19 19 PHE 20 20 LYS 21 21 VAL 22 22 SER 23 23 GLU 24 24 ALA 25 25 SER 26 26 LYS 27 27 LYS 28 28 LYS 29 29 ARG 30 30 ARG 31 31 GLU 32 32 PRO 33 33 LEU 34 34 GLY 35 35 GLU 36 36 ASP 37 37 SER 38 38 VAL 39 39 GLY 40 40 LEU 41 41 LYS 42 42 PRO 43 43 LEU 44 44 LYS 45 45 ASN 46 46 ALA 47 47 SER 48 48 ASP 49 49 GLY 50 50 ALA 51 51 LEU 52 52 MET 53 53 ASP 54 54 ASP 55 55 ASN 56 56 GLN 57 57 ASN 58 58 GLU 59 59 TRP 60 60 GLY 61 61 ASP 62 62 GLU 63 63 ASP 64 64 LEU 65 65 GLU 66 66 THR 67 67 LYS 68 68 LYS 69 69 PHE 70 70 ARG 71 71 PHE 72 72 GLU 73 73 GLU 74 74 PRO 75 75 VAL 76 76 VAL 77 77 LEU 78 78 PRO 79 79 ASP 80 80 LEU 81 81 ASP 82 82 ASP 83 83 GLN 84 84 THR 85 85 ASP 86 86 HIS 87 87 ARG 88 88 GLN 89 89 TRP 90 90 THR 91 91 GLN 92 92 GLN 93 93 HIS 94 94 LEU 95 95 ASP 96 96 ALA 97 97 ALA 98 98 ASP 99 99 LEU 100 100 ARG 101 101 MET 102 102 SER 103 103 ALA 104 104 MET 105 105 ALA 106 106 PRO 107 107 THR 108 108 PRO 109 109 PRO 110 110 GLN 111 111 GLY 112 112 GLU 113 113 VAL 114 114 ASP 115 115 ALA 116 116 ASP 117 117 CYS 118 118 MET 119 119 ASP 120 120 VAL 121 121 ASN 122 122 VAL 123 123 ARG 124 124 GLY 125 125 PRO 126 126 ASP 127 127 GLY 128 128 PHE 129 129 THR 130 130 PRO 131 131 LEU 132 132 LEU 133 133 GLU 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 _Details $RAM Human 9606 Eukaryota Metazoa Homo sapiens Notch1 'residues 1758-1890' 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 $RAM 'recombinant technology' . Escherichia coli . pET24b 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 $RAM 2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 Varian _Model INOVA _Field_strength 800 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CA)N_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)N' _Sample_label $sample_1 save_ save_3D_HN(COCA)N_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)N' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . 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 HNCO' '3D HN(CA)CO' '3D HN(CA)N' '3D HN(COCA)N' '3D HCCH-TOCSY' 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 RAM _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 11 11 GLY H H 8.425 . 1 2 11 11 GLY C C 178.538 . 1 3 11 11 GLY CA C 44.692 . 1 4 11 11 GLY N N 110.294 . 1 5 12 12 GLN H H 8.236 . 1 6 12 12 GLN C C 176.752 . 1 7 12 12 GLN CA C 56.067 . 1 8 12 12 GLN CB C 28.723 . 1 9 12 12 GLN N N 120.125 . 1 10 13 13 LEU H H 8.319 . 1 11 13 13 LEU C C 176.235 . 1 12 13 13 LEU CA C 55.083 . 1 13 13 13 LEU CB C 42.395 . 1 14 13 13 LEU N N 122.672 . 1 15 17 17 GLU H H 8.115 . 1 16 17 17 GLU C C 175.763 . 1 17 17 17 GLU CA C 56.505 . 1 18 17 17 GLU CB C 29.27 . 1 19 17 17 GLU N N 121.155 . 1 20 18 18 GLY H H 8.298 . 1 21 18 18 GLY C C 178.645 . 1 22 18 18 GLY CA C 45.02 . 1 23 18 18 GLY N N 110.182 . 1 24 19 19 PHE H H 7.973 . 1 25 19 19 PHE C C 177.086 . 1 26 19 19 PHE CA C 57.708 . 1 27 19 19 PHE CB C 39.332 . 1 28 19 19 PHE N N 120.244 . 1 29 20 20 LYS H H 8.099 . 1 30 20 20 LYS C C 176.379 . 1 31 20 20 LYS CA C 55.52 . 1 32 20 20 LYS CB C 33.134 . 1 33 20 20 LYS N N 123.598 . 1 34 21 21 VAL H H 8.096 . 1 35 21 21 VAL C C 176.166 . 1 36 21 21 VAL CA C 62.083 . 1 37 21 21 VAL CB C 32.223 . 1 38 21 21 VAL N N 121.844 . 1 39 23 23 GLU H H 8.501 . 1 40 23 23 GLU C C 175.459 . 1 41 23 23 GLU CA C 57.096 . 1 42 23 23 GLU CB C 29.598 . 1 43 23 23 GLU N N 123.288 . 1 44 24 24 ALA H H 8.27 . 1 45 24 24 ALA C C 173.977 . 1 46 24 24 ALA CA C 52.458 . 1 47 24 24 ALA CB C 18.851 . 1 48 24 24 ALA N N 123.723 . 1 49 25 25 SER H H 8.071 . 1 50 25 25 SER C C 177.453 . 1 51 25 25 SER CA C 58.364 . 1 52 25 25 SER CB C 63.177 . 1 53 25 25 SER N N 122.819 . 1 54 26 26 LYS H H 8.071 . 1 55 26 26 LYS C C 175.649 . 1 56 26 26 LYS CA C 56.286 . 1 57 26 26 LYS CB C 32.223 . 1 58 26 26 LYS N N 122.819 . 1 59 33 33 LEU H H 8.396 . 1 60 33 33 LEU C C 174.509 . 1 61 33 33 LEU CA C 54.645 . 1 62 33 33 LEU CB C 42.067 . 1 63 33 33 LEU N N 122.282 . 1 64 34 34 GLY H H 8.405 . 1 65 34 34 GLY C C 178.105 . 1 66 34 34 GLY CA C 45.129 . 1 67 34 34 GLY N N 109.713 . 1 68 35 35 GLU H H 8.414 . 1 69 35 35 GLU C C 176.03 . 1 70 35 35 GLU CA C 56.286 . 1 71 35 35 GLU CB C 29.817 . 1 72 35 35 GLU N N 120.737 . 1 73 36 36 ASP H H 8.467 . 1 74 36 36 ASP C C 176.085 . 1 75 36 36 ASP CA C 53.88 . 1 76 36 36 ASP CB C 40.645 . 1 77 36 36 ASP N N 120.741 . 1 78 37 37 SER H H 8.209 . 1 79 37 37 SER C C 177.687 . 1 80 37 37 SER CA C 58.583 . 1 81 37 37 SER CB C 63.396 . 1 82 37 37 SER N N 115.996 . 1 83 38 38 VAL H H 8.071 . 1 84 38 38 VAL C C 175.847 . 1 85 38 38 VAL CA C 62.781 . 1 86 38 38 VAL CB C 32.004 . 1 87 38 38 VAL N N 121.362 . 1 88 39 39 GLY H H 8.41 . 1 89 39 39 GLY C C 178.553 . 1 90 39 39 GLY CA C 44.801 . 1 91 39 39 GLY N N 111.659 . 1 92 40 40 LEU H H 8.042 . 1 93 40 40 LEU C C 175.3 . 1 94 40 40 LEU CA C 54.973 . 1 95 40 40 LEU CB C 42.067 . 1 96 40 40 LEU N N 121.562 . 1 97 41 41 LYS H H 8.289 . 1 98 41 41 LYS C C 178.128 . 1 99 41 41 LYS CA C 54.032 . 1 100 41 41 LYS CB C 32.114 . 1 101 41 41 LYS N N 123.575 . 1 102 43 43 LEU H H 8.342 . 1 103 43 43 LEU C C 175.011 . 1 104 43 43 LEU CA C 54.645 . 1 105 43 43 LEU CB C 41.848 . 1 106 43 43 LEU N N 122.792 . 1 107 44 44 LYS H H 8.314 . 1 108 44 44 LYS C C 176.326 . 1 109 44 44 LYS CA C 55.411 . 1 110 44 44 LYS CB C 32.77 . 1 111 44 44 LYS N N 122.251 . 1 112 45 45 ASN H H 8.519 . 1 113 45 45 ASN C C 177.352 . 1 114 45 45 ASN CA C 52.567 . 1 115 45 45 ASN CB C 38.676 . 1 116 45 45 ASN N N 120.224 . 1 117 46 46 ALA H H 8.425 . 1 118 46 46 ALA C C 174.418 . 1 119 46 46 ALA CA C 52.567 . 1 120 46 46 ALA CB C 18.988 . 1 121 46 46 ALA N N 124.949 . 1 122 47 47 SER H H 8.357 . 1 123 47 47 SER C C 177.884 . 1 124 47 47 SER CA C 58.036 . 1 125 47 47 SER CB C 63.286 . 1 126 47 47 SER N N 114.566 . 1 127 48 48 ASP H H 8.228 . 1 128 48 48 ASP C C 175.582 . 1 129 48 48 ASP CA C 54.098 . 1 130 48 48 ASP CB C 40.754 . 1 131 48 48 ASP N N 122.088 . 1 132 49 49 GLY H H 8.301 . 1 133 49 49 GLY C C 178.433 . 1 134 49 49 GLY CA C 45.239 . 1 135 49 49 GLY N N 109.299 . 1 136 50 50 ALA H H 8.052 . 1 137 50 50 ALA C C 174.76 . 1 138 50 50 ALA CA C 52.13 . 1 139 50 50 ALA CB C 18.879 . 1 140 50 50 ALA N N 123.527 . 1 141 51 51 LEU H H 8.2 . 1 142 51 51 LEU C C 175.056 . 1 143 51 51 LEU CA C 54.755 . 1 144 51 51 LEU CB C 41.848 . 1 145 51 51 LEU N N 120.969 . 1 146 52 52 MET H H 8.303 . 1 147 52 52 MET C C 176.615 . 1 148 52 52 MET CA C 54.755 . 1 149 52 52 MET CB C 32.551 . 1 150 52 52 MET N N 120.99 . 1 151 53 53 ASP H H 8.29 . 1 152 53 53 ASP C C 176.493 . 1 153 53 53 ASP CA C 54.234 . 1 154 53 53 ASP CB C 41.192 . 1 155 53 53 ASP N N 121.532 . 1 156 54 54 ASP H H 8.338 . 1 157 54 54 ASP C C 176.258 . 1 158 54 54 ASP CA C 54.317 . 1 159 54 54 ASP CB C 40.645 . 1 160 54 54 ASP N N 121.01 . 1 161 55 55 ASN H H 8.407 . 1 162 55 55 ASN C C 177.101 . 1 163 55 55 ASN CA C 52.895 . 1 164 55 55 ASN CB C 38.457 . 1 165 55 55 ASN N N 118.784 . 1 166 56 56 GLN H H 8.299 . 1 167 56 56 GLN C C 176.699 . 1 168 56 56 GLN CA C 55.739 . 1 169 56 56 GLN CB C 28.613 . 1 170 56 56 GLN N N 119.962 . 1 171 57 57 ASN H H 8.359 . 1 172 57 57 ASN C C 177.284 . 1 173 57 57 ASN CA C 52.895 . 1 174 57 57 ASN CB C 38.786 . 1 175 57 57 ASN N N 119.134 . 1 176 60 60 GLY H H 8.39 . 1 177 60 60 GLY C C 178.622 . 1 178 60 60 GLY CA C 44.692 . 1 179 60 60 GLY N N 110.101 . 1 180 61 61 ASP H H 8.207 . 1 181 61 61 ASP C C 175.851 . 1 182 61 61 ASP CA C 54.098 . 1 183 61 61 ASP CB C 40.864 . 1 184 61 61 ASP N N 120.665 . 1 185 62 62 GLU H H 8.505 . 1 186 62 62 GLU C C 176.075 . 1 187 62 62 GLU CA C 56.505 . 1 188 62 62 GLU CB C 29.926 . 1 189 62 62 GLU N N 121.086 . 1 190 63 63 ASP H H 8.378 . 1 191 63 63 ASP C C 175.976 . 1 192 63 63 ASP CA C 53.989 . 1 193 63 63 ASP CB C 40.645 . 1 194 63 63 ASP N N 121.121 . 1 195 64 64 LEU H H 8.156 . 1 196 64 64 LEU C C 174.342 . 1 197 64 64 LEU CA C 55.302 . 1 198 64 64 LEU CB C 41.739 . 1 199 64 64 LEU N N 122.525 . 1 200 65 65 GLU H H 8.383 . 1 201 65 65 GLU C C 175.155 . 1 202 65 65 GLU CA C 56.942 . 1 203 65 65 GLU CB C 29.488 . 1 204 65 65 GLU N N 119.85 . 1 205 66 66 THR H H 7.936 . 1 206 66 66 THR C C 177.428 . 1 207 66 66 THR CA C 62.801 . 1 208 66 66 THR CB C 68.864 . 1 209 66 66 THR N N 113.726 . 1 210 67 67 LYS H H 8.096 . 1 211 67 67 LYS C C 175.954 . 1 212 67 67 LYS CA C 56.286 . 1 213 67 67 LYS CB C 32.223 . 1 214 67 67 LYS N N 122.816 . 1 215 68 68 LYS H H 8.001 . 1 216 68 68 LYS C C 176.182 . 1 217 68 68 LYS CA C 56.732 . 1 218 68 68 LYS CB C 32.989 . 1 219 68 68 LYS N N 121.099 . 1 220 69 69 PHE H H 8.093 . 1 221 69 69 PHE C C 177.086 . 1 222 69 69 PHE CA C 57.27 . 1 223 69 69 PHE CB C 39.114 . 1 224 69 69 PHE N N 120.465 . 1 225 70 70 ARG H H 8.001 . 1 226 70 70 ARG C C 177.068 . 1 227 70 70 ARG CA C 55.411 . 1 228 70 70 ARG CB C 30.582 . 1 229 70 70 ARG N N 122.578 . 1 230 71 71 PHE H H 8.19 . 1 231 71 71 PHE C C 176.364 . 1 232 71 71 PHE CA C 57.38 . 1 233 71 71 PHE CB C 39.223 . 1 234 71 71 PHE N N 121.763 . 1 235 72 72 GLU H H 8.235 . 1 236 72 72 GLU C C 176.934 . 1 237 72 72 GLU CA C 55.411 . 1 238 72 72 GLU CB C 30.692 . 1 239 72 72 GLU N N 122.686 . 1 240 73 73 GLU H H 8.33 . 1 241 73 73 GLU C C 178.044 . 1 242 73 73 GLU CA C 53.77 . 1 243 73 73 GLU CB C 29.27 . 1 244 73 73 GLU N N 123.8 . 1 245 75 75 VAL H H 8.252 . 1 246 75 75 VAL C C 176.546 . 1 247 75 75 VAL CA C 62.302 . 1 248 75 75 VAL CB C 32.004 . 1 249 75 75 VAL N N 121.494 . 1 250 76 76 VAL H H 8.292 . 1 251 76 76 VAL C C 176.866 . 1 252 76 76 VAL CA C 61.864 . 1 253 76 76 VAL CB C 32.442 . 1 254 76 76 VAL N N 125.933 . 1 255 77 77 LEU H H 8.464 . 1 256 77 77 LEU C C 177.398 . 1 257 77 77 LEU CA C 52.637 . 1 258 77 77 LEU CB C 41.192 . 1 259 77 77 LEU N N 128.788 . 1 260 79 79 ASP H H 8.367 . 1 261 79 79 ASP C C 176.171 . 1 262 79 79 ASP CA C 54.208 . 1 263 79 79 ASP CB C 40.645 . 1 264 79 79 ASP N N 120.28 . 1 265 80 80 LEU H H 8.218 . 1 266 80 80 LEU C C 175.186 . 1 267 80 80 LEU CA C 54.973 . 1 268 80 80 LEU CB C 41.848 . 1 269 80 80 LEU N N 122.822 . 1 270 81 81 ASP H H 8.367 . 1 271 81 81 ASP C C 176.151 . 1 272 81 81 ASP CA C 53.77 . 1 273 81 81 ASP CB C 40.973 . 1 274 81 81 ASP N N 120.665 . 1 275 83 83 GLN H H 8.449 . 1 276 83 83 GLN C C 175.961 . 1 277 83 83 GLN CA C 55.52 . 1 278 83 83 GLN CB C 28.285 . 1 279 83 83 GLN N N 120.415 . 1 280 84 84 THR H H 8.139 . 1 281 84 84 THR C C 178.158 . 1 282 84 84 THR CA C 62.192 . 1 283 84 84 THR CB C 69.302 . 1 284 84 84 THR N N 114.722 . 1 285 85 85 ASP H H 8.329 . 1 286 85 85 ASP C C 176.098 . 1 287 85 85 ASP CA C 53.88 . 1 288 85 85 ASP CB C 40.536 . 1 289 85 85 ASP N N 122.197 . 1 290 86 86 HIS H H 8.398 . 1 291 86 86 HIS C C 176.98 . 1 292 86 86 HIS CA C 55.932 . 1 293 86 86 HIS CB C 28.613 . 1 294 86 86 HIS N N 120.416 . 1 295 88 88 GLN H H 8.341 . 1 296 88 88 GLN C C 176.296 . 1 297 88 88 GLN CA C 56.067 . 1 298 88 88 GLN CB C 28.613 . 1 299 88 88 GLN N N 119.954 . 1 300 89 89 TRP H H 8.165 . 1 301 89 89 TRP C C 175.558 . 1 302 89 89 TRP CA C 57.38 . 1 303 89 89 TRP CB C 29.051 . 1 304 89 89 TRP N N 121.794 . 1 305 90 90 THR H H 8.034 . 1 306 90 90 THR C C 177.831 . 1 307 90 90 THR CA C 61.864 . 1 308 90 90 THR CB C 69.411 . 1 309 90 90 THR N N 114.948 . 1 310 91 91 GLN H H 8.207 . 1 311 91 91 GLN C C 176.349 . 1 312 91 91 GLN CA C 56.067 . 1 313 91 91 GLN CB C 29.094 . 1 314 91 91 GLN N N 121.682 . 1 315 92 92 GLN H H 8.226 . 1 316 92 92 GLN C C 176.486 . 1 317 92 92 GLN CA C 56.286 . 1 318 92 92 GLN CB C 28.723 . 1 319 92 92 GLN N N 120.465 . 1 320 93 93 HIS H H 8.341 . 1 321 93 93 HIS C C 177.558 . 1 322 93 93 HIS CA C 55.739 . 1 323 93 93 HIS CB C 29.051 . 1 324 93 93 HIS N N 119.586 . 1 325 94 94 LEU H H 8.193 . 1 326 94 94 LEU C C 175.353 . 1 327 94 94 LEU CA C 54.973 . 1 328 94 94 LEU CB C 41.739 . 1 329 94 94 LEU N N 123.535 . 1 330 95 95 ASP H H 8.506 . 1 331 95 95 ASP C C 176.09 . 1 332 95 95 ASP CA C 54.208 . 1 333 95 95 ASP CB C 40.864 . 1 334 95 95 ASP N N 121.431 . 1 335 96 96 ALA H H 8.184 . 1 336 96 96 ALA C C 174.289 . 1 337 96 96 ALA CA C 53.114 . 1 338 96 96 ALA CB C 18.909 . 1 339 96 96 ALA N N 124.351 . 1 340 97 97 ALA H H 8.263 . 1 341 97 97 ALA C C 174.365 . 1 342 97 97 ALA CA C 52.348 . 1 343 97 97 ALA CB C 18.551 . 1 344 97 97 ALA N N 122.057 . 1 345 98 98 ASP H H 8.12 . 1 346 98 98 ASP C C 175.535 . 1 347 98 98 ASP CA C 54.536 . 1 348 98 98 ASP CB C 40.645 . 1 349 98 98 ASP N N 118.673 . 1 350 99 99 LEU H H 8.064 . 1 351 99 99 LEU C C 174.456 . 1 352 99 99 LEU CA C 55.192 . 1 353 99 99 LEU CB C 41.629 . 1 354 99 99 LEU N N 122.811 . 1 355 100 100 ARG H H 8.174 . 1 356 100 100 ARG C C 175.459 . 1 357 100 100 ARG CA C 56.286 . 1 358 100 100 ARG CB C 29.926 . 1 359 100 100 ARG N N 120.272 . 1 360 101 101 MET H H 8.195 . 1 361 101 101 MET C C 175.703 . 1 362 101 101 MET CA C 55.083 . 1 363 101 101 MET CB C 32.004 . 1 364 101 101 MET N N 119.748 . 1 365 102 102 SER H H 8.178 . 1 366 102 102 SER C C 178.105 . 1 367 102 102 SER CA C 58.474 . 1 368 102 102 SER CB C 63.396 . 1 369 102 102 SER N N 116.274 . 1 370 103 103 ALA H H 8.186 . 1 371 103 103 ALA C C 176.09 . 1 372 103 103 ALA CA C 52.13 . 1 373 103 103 ALA CB C 18.769 . 1 374 103 103 ALA N N 125.411 . 1 375 104 104 MET H H 8.123 . 1 376 104 104 MET C C 176.91 . 1 377 104 104 MET CA C 55.093 . 1 378 104 104 MET CB C 32.66 . 1 379 104 104 MET N N 118.958 . 1 380 105 105 ALA H H 8.223 . 1 381 105 105 ALA C C 177.155 . 1 382 105 105 ALA CA C 50.37 . 1 383 105 105 ALA CB C 18.113 . 1 384 105 105 ALA N N 126.684 . 1 385 107 107 THR H H 8.316 . 1 386 107 107 THR C C 172.966 . 1 387 107 107 THR CA C 59.239 . 1 388 107 107 THR CB C 69.302 . 1 389 107 107 THR N N 117.675 . 1 390 110 110 GLN H H 8.545 . 1 391 110 110 GLN C C 175.984 . 1 392 110 110 GLN CA C 55.52 . 1 393 110 110 GLN CB C 29.16 . 1 394 110 110 GLN N N 120.734 . 1 395 111 111 GLY H H 8.415 . 1 396 111 111 GLY C C 178.637 . 1 397 111 111 GLY CA C 44.692 . 1 398 111 111 GLY N N 110.332 . 1 399 112 112 GLU H H 8.311 . 1 400 112 112 GLU C C 175.862 . 1 401 112 112 GLU CA C 55.848 . 1 402 112 112 GLU CB C 30.363 . 1 403 112 112 GLU N N 120.658 . 1 404 113 113 VAL H H 8.22 . 1 405 113 113 VAL C C 176.647 . 1 406 113 113 VAL CA C 61.923 . 1 407 113 113 VAL CB C 32.66 . 1 408 113 113 VAL N N 120.879 . 1 409 114 114 ASP H H 8.436 . 1 410 114 114 ASP C C 176.303 . 1 411 114 114 ASP CA C 53.661 . 1 412 114 114 ASP CB C 40.754 . 1 413 114 114 ASP N N 124.328 . 1 414 115 115 ALA H H 8.291 . 1 415 115 115 ALA C C 174.692 . 1 416 115 115 ALA CA C 52.786 . 1 417 115 115 ALA CB C 18.988 . 1 418 115 115 ALA N N 124.809 . 1 419 116 116 ASP H H 8.371 . 1 420 116 116 ASP C C 176.09 . 1 421 116 116 ASP CA C 53.77 . 1 422 116 116 ASP CB C 40.956 . 1 423 116 116 ASP N N 118.764 . 1 424 118 118 MET H H 8.407 . 1 425 118 118 MET C C 176.645 . 1 426 118 118 MET CA C 55.411 . 1 427 118 118 MET CB C 32.332 . 1 428 118 118 MET N N 122.619 . 1 429 119 119 ASP H H 8.283 . 1 430 119 119 ASP C C 176.045 . 1 431 119 119 ASP CA C 53.989 . 1 432 119 119 ASP CB C 41.082 . 1 433 119 119 ASP N N 121.85 . 1 434 120 120 VAL H H 8.084 . 1 435 120 120 VAL C C 176.44 . 1 436 120 120 VAL CA C 61.974 . 1 437 120 120 VAL CB C 32.004 . 1 438 120 120 VAL N N 119.913 . 1 439 121 121 ASN H H 8.506 . 1 440 121 121 ASN C C 177.269 . 1 441 121 121 ASN CA C 53.442 . 1 442 121 121 ASN CB C 38.567 . 1 443 121 121 ASN N N 121.266 . 1 444 122 122 VAL H H 7.972 . 1 445 122 122 VAL C C 176.554 . 1 446 122 122 VAL CA C 61.974 . 1 447 122 122 VAL CB C 32.332 . 1 448 122 122 VAL N N 120.044 . 1 449 123 123 ARG H H 8.33 . 1 450 123 123 ARG C C 176.03 . 1 451 123 123 ARG CA C 55.932 . 1 452 123 123 ARG CB C 30.692 . 1 453 123 123 ARG N N 124.297 . 1 454 124 124 GLY H H 8.263 . 1 455 124 124 GLY C C 173.262 . 1 456 124 124 GLY CA C 44.145 . 1 457 124 124 GLY N N 110.058 . 1 458 126 126 ASP H H 8.402 . 1 459 126 126 ASP C C 175.725 . 1 460 126 126 ASP CA C 54.317 . 1 461 126 126 ASP CB C 40.645 . 1 462 126 126 ASP N N 119.61 . 1 463 127 127 GLY H H 8.23 . 1 464 127 127 GLY C C 178.675 . 1 465 127 127 GLY CA C 44.911 . 1 466 127 127 GLY N N 108.651 . 1 467 128 128 PHE H H 8.123 . 1 468 128 128 PHE C C 176.995 . 1 469 128 128 PHE CA C 57.27 . 1 470 128 128 PHE CB C 39.989 . 1 471 128 128 PHE N N 120.286 . 1 472 129 129 THR H H 7.83 . 1 473 129 129 THR C C 173.08 . 1 474 129 129 THR CA C 58.685 . 1 475 129 129 THR CB C 70.257 . 1 476 129 129 THR N N 114.948 . 1 stop_ save_