data_25872 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TrkA transmembrane domain NMR structure in DPC micelles ; _BMRB_accession_number 25872 _BMRB_flat_file_name bmr25872.str _Entry_type original _Submission_date 2015-10-29 _Accession_date 2015-10-29 _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 Nadezhdin Kirill . . 2 Goncharuk Sergey . . 3 Arseniev Alexander . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 217 "13C chemical shifts" 154 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-03 original BMRB . stop_ _Original_release_date 2016-11-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; TrkA transmembrane domain NMR structure in DPC micelles ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nadezhdin Kirill . . 2 Goncharuk Sergey . . 3 Arseniev Alexander . . 4 Vilar Marcial . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TrkA transmembrane domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity entity_2 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 4214.127 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; MKKDETPFGVSVAVGLAVFA CLFLSTLLLVLNKAGRRNK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 LYS 4 4 ASP 5 5 GLU 6 6 THR 7 7 PRO 8 8 PHE 9 9 GLY 10 10 VAL 11 11 SER 12 12 VAL 13 13 ALA 14 14 VAL 15 15 GLY 16 16 LEU 17 17 ALA 18 18 VAL 19 19 PHE 20 20 ALA 21 21 CYS 22 22 LEU 23 23 PHE 24 24 LEU 25 25 SER 26 26 THR 27 27 LEU 28 28 LEU 29 29 LEU 30 30 VAL 31 31 LEU 32 32 ASN 33 33 LYS 34 34 ALA 35 35 GLY 36 36 ARG 37 37 ARG 38 38 ASN 39 39 LYS 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 $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'cell free synthesis' . . . . pGEMEX-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' $entity 1 mM 'natural abundance' DPC 40 mM '[U-100% 2H]' 'potassium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task visualization stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 5.9 . pH pressure 1 . atm temperature 318 . 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 '3D HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 entity_1 _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 LYS H H 8.483 0.000 . 2 2 2 LYS N N 123.102 0.000 . 3 3 3 LYS H H 8.609 0.000 . 4 3 3 LYS HA H 4.364 0.000 . 5 3 3 LYS HB2 H 1.931 0.000 . 6 3 3 LYS HB3 H 1.859 0.000 . 7 3 3 LYS HG2 H 1.524 0.000 . 8 3 3 LYS HG3 H 1.524 0.000 . 9 3 3 LYS HD2 H 1.797 0.000 . 10 3 3 LYS HD3 H 1.797 0.000 . 11 3 3 LYS HE2 H 3.113 0.000 . 12 3 3 LYS HE3 H 3.113 0.000 . 13 3 3 LYS C C 173.506 0.000 . 14 3 3 LYS CA C 54.569 0.000 . 15 3 3 LYS CB C 30.685 0.000 . 16 3 3 LYS CG C 22.168 0.000 . 17 3 3 LYS CD C 26.732 0.000 . 18 3 3 LYS CE C 39.765 0.000 . 19 3 3 LYS N N 123.206 0.000 . 20 4 4 ASP H H 8.420 0.000 . 21 4 4 ASP HA H 4.706 0.000 . 22 4 4 ASP HB2 H 2.737 0.000 . 23 4 4 ASP HB3 H 2.797 0.000 . 24 4 4 ASP C C 173.339 0.000 . 25 4 4 ASP CA C 52.055 0.000 . 26 4 4 ASP CB C 38.662 0.000 . 27 4 4 ASP N N 120.271 0.000 . 28 5 5 GLU H H 8.177 0.000 . 29 5 5 GLU HA H 4.516 0.000 . 30 5 5 GLU HB2 H 2.016 0.000 . 31 5 5 GLU HB3 H 2.182 0.000 . 32 5 5 GLU HG2 H 2.335 0.000 . 33 5 5 GLU HG3 H 2.335 0.000 . 34 5 5 GLU C C 173.506 0.000 . 35 5 5 GLU CA C 53.808 0.000 . 36 5 5 GLU CB C 28.434 0.000 . 37 5 5 GLU CG C 33.948 0.000 . 38 5 5 GLU N N 120.404 0.000 . 39 6 6 THR H H 8.314 0.000 . 40 6 6 THR HA H 4.649 0.000 . 41 6 6 THR HB H 4.217 0.000 . 42 6 6 THR HG2 H 1.332 0.000 . 43 6 6 THR C C 170.644 0.000 . 44 6 6 THR CA C 57.823 0.000 . 45 6 6 THR CB C 67.184 0.000 . 46 6 6 THR CG2 C 19.299 0.000 . 47 6 6 THR N N 117.433 0.000 . 48 7 7 PRO HA H 4.569 0.000 . 49 7 7 PRO HB2 H 1.895 0.000 . 50 7 7 PRO HB3 H 2.404 0.000 . 51 7 7 PRO HG2 H 2.103 0.000 . 52 7 7 PRO HG3 H 1.988 0.000 . 53 7 7 PRO HD2 H 3.704 0.000 . 54 7 7 PRO HD3 H 3.998 0.000 . 55 7 7 PRO C C 173.983 0.000 . 56 7 7 PRO CA C 60.843 0.000 . 57 7 7 PRO CB C 29.556 0.000 . 58 7 7 PRO CG C 24.915 0.000 . 59 7 7 PRO CD C 48.580 0.000 . 60 8 8 PHE H H 8.381 0.000 . 61 8 8 PHE HA H 4.612 0.000 . 62 8 8 PHE HB2 H 3.277 0.000 . 63 8 8 PHE HB3 H 3.277 0.000 . 64 8 8 PHE HD1 H 7.377 0.000 . 65 8 8 PHE HD2 H 7.377 0.000 . 66 8 8 PHE HE1 H 7.359 0.000 . 67 8 8 PHE HE2 H 7.359 0.000 . 68 8 8 PHE HZ H 7.270 0.000 . 69 8 8 PHE C C 173.291 0.000 . 70 8 8 PHE CA C 56.320 0.000 . 71 8 8 PHE CB C 37.156 0.000 . 72 8 8 PHE CZ C 129.006 0.000 . 73 8 8 PHE N N 119.597 0.000 . 74 9 9 GLY H H 8.557 0.000 . 75 9 9 GLY HA2 H 4.041 0.000 . 76 9 9 GLY HA3 H 3.967 0.000 . 77 9 9 GLY C C 171.741 0.000 . 78 9 9 GLY CA C 43.719 0.000 . 79 9 9 GLY N N 107.586 0.000 . 80 10 10 VAL H H 7.970 0.000 . 81 10 10 VAL HA H 3.984 0.000 . 82 10 10 VAL HB H 2.262 0.000 . 83 10 10 VAL HG1 H 1.059 0.000 . 84 10 10 VAL HG2 H 1.140 0.000 . 85 10 10 VAL C C 173.124 0.000 . 86 10 10 VAL CA C 62.233 0.000 . 87 10 10 VAL CB C 30.351 0.000 . 88 10 10 VAL CG1 C 19.049 0.000 . 89 10 10 VAL CG2 C 19.633 0.000 . 90 10 10 VAL N N 118.248 0.000 . 91 11 11 SER H H 8.180 0.000 . 92 11 11 SER HA H 4.339 0.000 . 93 11 11 SER HB2 H 4.184 0.000 . 94 11 11 SER HB3 H 3.963 0.000 . 95 11 11 SER C C 172.929 0.000 . 96 11 11 SER CA C 58.493 0.000 . 97 11 11 SER CB C 60.928 0.000 . 98 11 11 SER N N 116.602 0.000 . 99 12 12 VAL H H 8.356 0.000 . 100 12 12 VAL HA H 3.728 0.000 . 101 12 12 VAL HB H 2.187 0.000 . 102 12 12 VAL HG1 H 0.944 0.000 . 103 12 12 VAL HG2 H 1.020 0.000 . 104 12 12 VAL C C 174.197 0.000 . 105 12 12 VAL CA C 63.881 0.000 . 106 12 12 VAL CB C 29.115 0.000 . 107 12 12 VAL CG1 C 19.027 0.000 . 108 12 12 VAL CG2 C 20.748 0.000 . 109 12 12 VAL N N 121.016 0.000 . 110 13 13 ALA H H 8.162 0.000 . 111 13 13 ALA HA H 4.066 0.000 . 112 13 13 ALA HB H 1.603 0.000 . 113 13 13 ALA C C 176.105 0.000 . 114 13 13 ALA CA C 53.461 0.000 . 115 13 13 ALA CB C 16.246 0.000 . 116 13 13 ALA N N 121.087 0.000 . 117 14 14 VAL H H 8.175 0.000 . 118 14 14 VAL HA H 3.669 0.000 . 119 14 14 VAL HB H 2.271 0.000 . 120 14 14 VAL HG1 H 1.030 0.000 . 121 14 14 VAL HG2 H 1.177 0.000 . 122 14 14 VAL C C 175.247 0.000 . 123 14 14 VAL CA C 64.315 0.000 . 124 14 14 VAL CB C 29.199 0.000 . 125 14 14 VAL CG1 C 19.272 0.000 . 126 14 14 VAL CG2 C 21.183 0.000 . 127 14 14 VAL N N 115.686 0.000 . 128 15 15 GLY H H 8.465 0.000 . 129 15 15 GLY HA2 H 3.695 0.000 . 130 15 15 GLY HA3 H 3.695 0.000 . 131 15 15 GLY C C 172.266 0.000 . 132 15 15 GLY CA C 45.494 0.000 . 133 15 15 GLY N N 106.431 0.000 . 134 16 16 LEU H H 8.764 0.000 . 135 16 16 LEU HA H 4.222 0.000 . 136 16 16 LEU HB2 H 2.028 0.000 . 137 16 16 LEU HB3 H 1.619 0.000 . 138 16 16 LEU HG H 1.955 0.000 . 139 16 16 LEU HD1 H 0.957 0.000 . 140 16 16 LEU HD2 H 0.895 0.000 . 141 16 16 LEU C C 175.676 0.000 . 142 16 16 LEU CA C 55.691 0.000 . 143 16 16 LEU CB C 39.529 0.000 . 144 16 16 LEU CG C 24.488 0.000 . 145 16 16 LEU CD1 C 23.006 0.000 . 146 16 16 LEU CD2 C 21.208 0.000 . 147 16 16 LEU N N 120.605 0.000 . 148 17 17 ALA H H 8.315 0.000 . 149 17 17 ALA HA H 4.127 0.000 . 150 17 17 ALA HB H 1.625 0.000 . 151 17 17 ALA C C 176.892 0.000 . 152 17 17 ALA CA C 53.317 0.000 . 153 17 17 ALA CB C 15.647 0.000 . 154 17 17 ALA N N 121.535 0.000 . 155 18 18 VAL H H 8.687 0.000 . 156 18 18 VAL HA H 3.592 0.000 . 157 18 18 VAL HB H 2.366 0.000 . 158 18 18 VAL HG1 H 0.953 0.000 . 159 18 18 VAL HG2 H 1.170 0.000 . 160 18 18 VAL C C 175.271 0.000 . 161 18 18 VAL CA C 64.999 0.000 . 162 18 18 VAL CB C 28.838 0.000 . 163 18 18 VAL CG1 C 18.908 0.000 . 164 18 18 VAL CG2 C 20.852 0.000 . 165 18 18 VAL N N 118.055 0.000 . 166 19 19 PHE H H 8.622 0.000 . 167 19 19 PHE HA H 4.167 0.000 . 168 19 19 PHE HB2 H 3.267 0.000 . 169 19 19 PHE HB3 H 3.316 0.000 . 170 19 19 PHE HD1 H 7.155 0.000 . 171 19 19 PHE HD2 H 7.155 0.000 . 172 19 19 PHE HE1 H 7.067 0.000 . 173 19 19 PHE HE2 H 7.067 0.000 . 174 19 19 PHE HZ H 6.958 0.000 . 175 19 19 PHE C C 174.197 0.000 . 176 19 19 PHE CA C 59.852 0.000 . 177 19 19 PHE CB C 36.490 0.000 . 178 19 19 PHE CZ C 128.477 0.000 . 179 19 19 PHE N N 119.235 0.000 . 180 20 20 ALA H H 9.059 0.000 . 181 20 20 ALA HA H 3.936 0.000 . 182 20 20 ALA HB H 1.624 0.000 . 183 20 20 ALA C C 176.558 0.000 . 184 20 20 ALA CA C 53.352 0.000 . 185 20 20 ALA CB C 15.324 0.000 . 186 20 20 ALA N N 120.852 0.000 . 187 21 21 CYS H H 8.311 0.000 . 188 21 21 CYS HA H 4.141 0.000 . 189 21 21 CYS HB2 H 3.238 0.000 . 190 21 21 CYS HB3 H 2.731 0.000 . 191 21 21 CYS CA C 61.968 0.000 . 192 21 21 CYS N N 115.298 0.000 . 193 22 22 LEU H H 8.607 0.000 . 194 22 22 LEU HA H 4.077 0.000 . 195 22 22 LEU HB2 H 1.863 0.000 . 196 22 22 LEU HB3 H 1.569 0.000 . 197 22 22 LEU HG H 1.842 0.000 . 198 22 22 LEU HD1 H 0.885 0.000 . 199 22 22 LEU HD2 H 0.847 0.000 . 200 22 22 LEU C C 176.153 0.000 . 201 22 22 LEU CA C 55.797 0.000 . 202 22 22 LEU CB C 39.312 0.000 . 203 22 22 LEU CG C 24.322 0.000 . 204 22 22 LEU CD1 C 22.412 0.000 . 205 22 22 LEU CD2 C 20.936 0.000 . 206 22 22 LEU N N 122.447 0.000 . 207 23 23 PHE H H 8.998 0.000 . 208 23 23 PHE HA H 4.041 0.000 . 209 23 23 PHE HB2 H 3.013 0.000 . 210 23 23 PHE HB3 H 2.758 0.000 . 211 23 23 PHE HD1 H 7.046 0.000 . 212 23 23 PHE HD2 H 7.046 0.000 . 213 23 23 PHE HE1 H 7.167 0.000 . 214 23 23 PHE HE2 H 7.167 0.000 . 215 23 23 PHE HZ H 7.118 0.000 . 216 23 23 PHE C C 173.959 0.000 . 217 23 23 PHE CA C 59.055 0.000 . 218 23 23 PHE CB C 36.704 0.000 . 219 23 23 PHE CZ C 128.491 0.000 . 220 23 23 PHE N N 122.153 0.000 . 221 24 24 LEU H H 8.653 0.000 . 222 24 24 LEU HA H 3.896 0.000 . 223 24 24 LEU HB2 H 1.601 0.000 . 224 24 24 LEU HB3 H 1.959 0.000 . 225 24 24 LEU HG H 1.974 0.000 . 226 24 24 LEU HD1 H 0.959 0.000 . 227 24 24 LEU HD2 H 0.951 0.000 . 228 24 24 LEU C C 175.915 0.000 . 229 24 24 LEU CA C 55.787 0.000 . 230 24 24 LEU CB C 39.488 0.000 . 231 24 24 LEU CG C 24.782 0.000 . 232 24 24 LEU CD1 C 22.213 0.000 . 233 24 24 LEU CD2 C 21.359 0.000 . 234 24 24 LEU N N 118.082 0.000 . 235 25 25 SER H H 8.172 0.000 . 236 25 25 SER HA H 4.080 0.000 . 237 25 25 SER HB2 H 4.059 0.000 . 238 25 25 SER HB3 H 3.774 0.000 . 239 25 25 SER C C 172.719 0.000 . 240 25 25 SER CA C 61.220 0.000 . 241 25 25 SER CB C 60.568 0.000 . 242 25 25 SER N N 113.414 0.000 . 243 26 26 THR H H 7.845 0.000 . 244 26 26 THR HA H 3.787 0.000 . 245 26 26 THR HB H 4.194 0.000 . 246 26 26 THR HG2 H 1.161 0.000 . 247 26 26 THR C C 175.676 0.000 . 248 26 26 THR CA C 65.563 0.000 . 249 26 26 THR CB C 65.262 0.000 . 250 26 26 THR CG2 C 19.089 0.000 . 251 26 26 THR N N 117.783 0.000 . 252 27 27 LEU H H 8.053 0.000 . 253 27 27 LEU HA H 3.891 0.000 . 254 27 27 LEU HB2 H 1.592 0.000 . 255 27 27 LEU HB3 H 1.664 0.000 . 256 27 27 LEU HG H 1.589 0.000 . 257 27 27 LEU HD1 H 0.813 0.000 . 258 27 27 LEU HD2 H 0.797 0.000 . 259 27 27 LEU C C 175.676 0.000 . 260 27 27 LEU CA C 55.991 0.000 . 261 27 27 LEU CB C 39.194 0.000 . 262 27 27 LEU CG C 24.301 0.000 . 263 27 27 LEU CD1 C 22.047 0.000 . 264 27 27 LEU CD2 C 22.114 0.000 . 265 27 27 LEU N N 121.022 0.000 . 266 28 28 LEU H H 8.206 0.000 . 267 28 28 LEU HA H 4.040 0.000 . 268 28 28 LEU HB2 H 2.035 0.000 . 269 28 28 LEU HB3 H 1.585 0.000 . 270 28 28 LEU HG H 1.960 0.000 . 271 28 28 LEU HD1 H 0.973 0.000 . 272 28 28 LEU HD2 H 0.945 0.000 . 273 28 28 LEU C C 176.439 0.000 . 274 28 28 LEU CA C 55.847 0.000 . 275 28 28 LEU CB C 39.186 0.000 . 276 28 28 LEU CG C 24.611 0.000 . 277 28 28 LEU CD1 C 22.924 0.000 . 278 28 28 LEU CD2 C 20.999 0.000 . 279 28 28 LEU N N 117.328 0.000 . 280 29 29 LEU H H 8.121 0.000 . 281 29 29 LEU HA H 4.173 0.000 . 282 29 29 LEU HB2 H 2.050 0.000 . 283 29 29 LEU HB3 H 1.798 0.000 . 284 29 29 LEU HG H 1.913 0.000 . 285 29 29 LEU HD1 H 1.008 0.000 . 286 29 29 LEU HD2 H 1.012 0.000 . 287 29 29 LEU C C 176.773 0.000 . 288 29 29 LEU CA C 55.943 0.000 . 289 29 29 LEU CB C 39.593 0.000 . 290 29 29 LEU CG C 24.745 0.000 . 291 29 29 LEU CD1 C 21.892 0.000 . 292 29 29 LEU CD2 C 22.875 0.000 . 293 29 29 LEU N N 119.596 0.000 . 294 30 30 VAL H H 8.429 0.000 . 295 30 30 VAL HA H 3.743 0.000 . 296 30 30 VAL HB H 2.345 0.000 . 297 30 30 VAL HG1 H 1.027 0.000 . 298 30 30 VAL HG2 H 1.155 0.000 . 299 30 30 VAL C C 175.294 0.000 . 300 30 30 VAL CA C 64.164 0.000 . 301 30 30 VAL CB C 29.137 0.000 . 302 30 30 VAL CG1 C 19.189 0.000 . 303 30 30 VAL CG2 C 20.497 0.000 . 304 30 30 VAL N N 118.438 0.000 . 305 31 31 LEU H H 8.552 0.000 . 306 31 31 LEU HA H 4.158 0.000 . 307 31 31 LEU HB2 H 1.974 0.000 . 308 31 31 LEU HB3 H 1.658 0.000 . 309 31 31 LEU HG H 1.964 0.000 . 310 31 31 LEU HD1 H 0.966 0.000 . 311 31 31 LEU HD2 H 0.962 0.000 . 312 31 31 LEU C C 176.058 0.000 . 313 31 31 LEU CA C 55.204 0.000 . 314 31 31 LEU CB C 39.340 0.000 . 315 31 31 LEU CG C 24.566 0.000 . 316 31 31 LEU CD1 C 20.939 0.000 . 317 31 31 LEU CD2 C 23.024 0.000 . 318 31 31 LEU N N 119.064 0.000 . 319 32 32 ASN H H 8.148 0.000 . 320 32 32 ASN HA H 4.632 0.000 . 321 32 32 ASN HB2 H 2.946 0.000 . 322 32 32 ASN HB3 H 2.946 0.000 . 323 32 32 ASN HD21 H 7.757 0.000 . 324 32 32 ASN HD22 H 6.927 0.000 . 325 32 32 ASN ND2 N 111.575 0.000 . 326 33 33 LYS H H 8.074 0.000 . 327 33 33 LYS HA H 4.334 0.000 . 328 33 33 LYS HB2 H 2.031 0.000 . 329 33 33 LYS HB3 H 2.031 0.000 . 330 33 33 LYS HG2 H 1.628 0.000 . 331 33 33 LYS HG3 H 1.628 0.000 . 332 33 33 LYS HD2 H 1.814 0.000 . 333 33 33 LYS HD3 H 1.814 0.000 . 334 33 33 LYS HE2 H 3.061 0.000 . 335 33 33 LYS HE3 H 3.061 0.000 . 336 33 33 LYS C C 174.722 0.000 . 337 33 33 LYS CA C 54.918 0.000 . 338 33 33 LYS CB C 30.315 0.000 . 339 33 33 LYS CG C 22.499 0.000 . 340 33 33 LYS CD C 26.411 0.000 . 341 33 33 LYS CE C 39.578 0.000 . 342 33 33 LYS N N 118.261 0.000 . 343 34 34 ALA H H 8.344 0.000 . 344 34 34 ALA HA H 4.381 0.000 . 345 34 34 ALA HB H 1.555 0.000 . 346 34 34 ALA C C 175.557 0.000 . 347 34 34 ALA CA C 50.859 0.000 . 348 34 34 ALA CB C 16.769 0.000 . 349 34 34 ALA N N 120.974 0.000 . 350 35 35 GLY H H 8.192 0.000 . 351 35 35 GLY HA2 H 4.014 0.000 . 352 35 35 GLY HA3 H 4.103 0.000 . 353 35 35 GLY C C 171.431 0.000 . 354 35 35 GLY CA C 43.302 0.000 . 355 35 35 GLY N N 105.444 0.000 . 356 36 36 ARG H H 7.991 0.000 . 357 36 36 ARG HA H 4.474 0.000 . 358 36 36 ARG HB2 H 2.033 0.000 . 359 36 36 ARG HB3 H 1.893 0.000 . 360 36 36 ARG HG2 H 1.759 0.000 . 361 36 36 ARG HG3 H 1.759 0.000 . 362 36 36 ARG HD2 H 3.318 0.000 . 363 36 36 ARG HD3 H 3.318 0.000 . 364 36 36 ARG C C 173.530 0.000 . 365 36 36 ARG CA C 53.566 0.000 . 366 36 36 ARG CB C 28.281 0.000 . 367 36 36 ARG CG C 24.833 0.000 . 368 36 36 ARG CD C 41.059 0.000 . 369 36 36 ARG N N 119.296 0.000 . 370 37 37 ARG H H 8.320 0.000 . 371 37 37 ARG HA H 4.460 0.000 . 372 37 37 ARG HB2 H 2.007 0.000 . 373 37 37 ARG HB3 H 1.905 0.000 . 374 37 37 ARG HG2 H 1.771 0.000 . 375 37 37 ARG HG3 H 1.771 0.000 . 376 37 37 ARG HD2 H 3.323 0.000 . 377 37 37 ARG HD3 H 3.323 0.000 . 378 37 37 ARG C C 173.411 0.000 . 379 37 37 ARG CA C 53.772 0.000 . 380 37 37 ARG CB C 28.416 0.000 . 381 37 37 ARG CG C 24.817 0.000 . 382 37 37 ARG CD C 41.012 0.000 . 383 37 37 ARG N N 120.950 0.000 . 384 38 38 ASN HA H 4.806 0.000 . 385 38 38 ASN HB2 H 2.964 0.000 . 386 38 38 ASN HB3 H 2.856 0.000 . 387 38 38 ASN HD21 H 7.679 0.000 . 388 38 38 ASN HD22 H 6.973 0.000 . 389 38 38 ASN C C 171.383 0.000 . 390 38 38 ASN CA C 51.070 0.000 . 391 38 38 ASN ND2 N 112.801 0.000 . 392 39 39 LYS H H 7.881 0.000 . 393 39 39 LYS HA H 4.249 0.000 . 394 39 39 LYS HB2 H 1.820 0.000 . 395 39 39 LYS HB3 H 1.924 0.000 . 396 39 39 LYS HG2 H 1.504 0.000 . 397 39 39 LYS HG3 H 1.504 0.000 . 398 39 39 LYS HD2 H 1.789 0.000 . 399 39 39 LYS HD3 H 1.789 0.000 . 400 39 39 LYS HE2 H 3.114 0.000 . 401 39 39 LYS HE3 H 3.114 0.000 . 402 39 39 LYS C C 178.371 0.000 . 403 39 39 LYS CA C 55.381 0.000 . 404 39 39 LYS CB C 31.415 0.000 . 405 39 39 LYS CG C 22.213 0.000 . 406 39 39 LYS CD C 26.799 0.000 . 407 39 39 LYS CE C 39.861 0.000 . 408 39 39 LYS N N 126.026 0.000 . stop_ save_