data_25935 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Membrane-bound mouse CD28 cytoplasmic tail ; _BMRB_accession_number 25935 _BMRB_flat_file_name bmr25935.str _Entry_type original _Submission_date 2015-12-23 _Accession_date 2015-12-23 _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 Li Hua . . 2 Xu Chenqi . . 3 Pan Weiling . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 278 "13C chemical shifts" 188 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-15 original BMRB . stop_ _Original_release_date 2016-01-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Membrane-bound mouse CD28 cytoplasmic tail ; _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 Li Hua . . 2 Xu Chenqi . . 3 Pan Weiling . . stop_ _Journal_abbreviation . _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 'Membrane-bound mouse CD28 cytoplasmic tail' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 5093.833 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GTNSRRNRLLQSDYMNMTPR RPGLTRKPYQPYAPARDFAA YRP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 ASN 4 SER 5 ARG 6 ARG 7 ASN 8 ARG 9 LEU 10 LEU 11 GLN 12 SER 13 ASP 14 TYR 15 MET 16 ASN 17 MET 18 THR 19 PRO 20 ARG 21 ARG 22 PRO 23 GLY 24 LEU 25 THR 26 ARG 27 LYS 28 PRO 29 TYR 30 GLN 31 PRO 32 TYR 33 ALA 34 PRO 35 ALA 36 ARG 37 ASP 38 PHE 39 ALA 40 ALA 41 TYR 42 ARG 43 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . pET-41a(+) 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 0.5 mM '[U-13C; U-15N]' POPG 100 mM 'natural abundance' DHPC 125 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name KUJIRA _Version 0.9843 loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.32 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' 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_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_(NOEs_to_lipid)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (NOEs to lipid)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_(methyl;_double_13C-filter)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (methyl; double 13C-filter)' _Sample_label $sample_1 save_ save_2D_1H-13C_NOESY_(aromatic;_double_13C-filter)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C NOESY (aromatic; double 13C-filter)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _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' 20 . mM pH 6.7 . pH pressure 1 . atm temperature 300 . 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 na C 13 protons ppm 30.219 internal indirect . . . 0.251449530 water H 1 protons ppm 4.754 internal direct . . . 1.0 na N 15 protons ppm 118.561 internal 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 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HBHA(CO)NH' '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 entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.887 0.030 1 2 1 1 GLY HA3 H 3.887 0.030 1 3 1 1 GLY CA C 43.245 0.300 1 4 2 2 THR HA H 4.290 0.030 1 5 2 2 THR HB H 4.162 0.030 1 6 2 2 THR HG2 H 1.187 0.030 1 7 2 2 THR C C 174.565 0.300 1 8 2 2 THR CA C 62.413 0.300 1 9 2 2 THR CB C 69.752 0.300 1 10 2 2 THR CG2 C 21.655 0.300 1 11 3 3 ASN H H 8.656 0.030 1 12 3 3 ASN HA H 4.762 0.030 1 13 3 3 ASN HB2 H 2.786 0.030 2 14 3 3 ASN HB3 H 2.873 0.030 2 15 3 3 ASN HD21 H 7.673 0.030 2 16 3 3 ASN HD22 H 6.961 0.030 2 17 3 3 ASN C C 175.242 0.300 1 18 3 3 ASN CA C 53.218 0.300 1 19 3 3 ASN CB C 38.850 0.300 1 20 3 3 ASN N N 120.932 0.300 1 21 3 3 ASN ND2 N 113.193 0.300 1 22 4 4 SER H H 8.245 0.030 1 23 4 4 SER HA H 4.416 0.030 1 24 4 4 SER HB2 H 3.882 0.030 2 25 4 4 SER HB3 H 3.967 0.030 2 26 4 4 SER C C 174.898 0.300 1 27 4 4 SER CA C 58.770 0.300 1 28 4 4 SER CB C 63.814 0.300 1 29 4 4 SER N N 116.478 0.300 1 30 5 5 ARG H H 8.611 0.030 1 31 5 5 ARG HA H 4.216 0.030 1 32 5 5 ARG HB2 H 1.832 0.030 1 33 5 5 ARG HB3 H 1.832 0.030 1 34 5 5 ARG HG2 H 1.645 0.030 2 35 5 5 ARG HG3 H 1.693 0.030 2 36 5 5 ARG HD2 H 3.197 0.030 1 37 5 5 ARG HD3 H 3.197 0.030 1 38 5 5 ARG HE H 7.441 0.030 1 39 5 5 ARG C C 176.918 0.300 1 40 5 5 ARG CA C 57.083 0.300 1 41 5 5 ARG CB C 30.485 0.300 1 42 5 5 ARG CG C 27.430 0.300 1 43 5 5 ARG CD C 43.500 0.300 1 44 5 5 ARG N N 123.273 0.300 1 45 5 5 ARG NE N 84.527 0.300 1 46 6 6 ARG H H 8.390 0.030 1 47 6 6 ARG HA H 4.199 0.030 1 48 6 6 ARG HB2 H 1.747 0.030 2 49 6 6 ARG HB3 H 1.814 0.030 2 50 6 6 ARG HG2 H 1.575 0.030 2 51 6 6 ARG HG3 H 1.684 0.030 2 52 6 6 ARG HD2 H 3.174 0.030 1 53 6 6 ARG HD3 H 3.174 0.030 1 54 6 6 ARG HE H 7.426 0.030 1 55 6 6 ARG C C 176.284 0.300 1 56 6 6 ARG CA C 56.935 0.300 1 57 6 6 ARG CB C 30.580 0.300 1 58 6 6 ARG CG C 27.160 0.300 1 59 6 6 ARG CD C 43.500 0.300 1 60 6 6 ARG N N 120.420 0.300 1 61 6 6 ARG NE N 84.455 0.300 1 62 7 7 ASN H H 8.276 0.030 1 63 7 7 ASN HA H 4.567 0.030 1 64 7 7 ASN HB2 H 2.791 0.030 1 65 7 7 ASN HB3 H 2.791 0.030 1 66 7 7 ASN HD21 H 7.736 0.030 2 67 7 7 ASN HD22 H 6.787 0.030 2 68 7 7 ASN C C 176.918 0.300 1 69 7 7 ASN CA C 53.890 0.300 1 70 7 7 ASN CB C 38.850 0.300 1 71 7 7 ASN N N 118.850 0.300 1 72 7 7 ASN ND2 N 112.087 0.300 1 73 8 8 ARG H H 8.386 0.030 1 74 8 8 ARG HA H 4.270 0.030 1 75 8 8 ARG HB2 H 1.838 0.030 1 76 8 8 ARG HB3 H 1.838 0.030 1 77 8 8 ARG HG2 H 1.696 0.030 1 78 8 8 ARG HG3 H 1.696 0.030 1 79 8 8 ARG HD2 H 3.200 0.030 1 80 8 8 ARG HD3 H 3.200 0.030 1 81 8 8 ARG HE H 7.426 0.030 1 82 8 8 ARG C C 177.672 0.300 1 83 8 8 ARG CA C 57.250 0.300 1 84 8 8 ARG CB C 30.502 0.300 1 85 8 8 ARG CG C 27.160 0.300 1 86 8 8 ARG CD C 43.480 0.300 1 87 8 8 ARG N N 120.455 0.300 1 88 8 8 ARG NE N 84.455 0.300 1 89 9 9 LEU H H 8.205 0.030 1 90 9 9 LEU HA H 4.250 0.030 1 91 9 9 LEU HB2 H 1.670 0.030 1 92 9 9 LEU HB3 H 1.670 0.030 1 93 9 9 LEU HG H 1.622 0.030 1 94 9 9 LEU HD1 H 0.930 0.030 2 95 9 9 LEU HD2 H 0.881 0.030 2 96 9 9 LEU C C 177.355 0.300 1 97 9 9 LEU CA C 56.412 0.300 1 98 9 9 LEU CB C 42.210 0.300 1 99 9 9 LEU CG C 27.165 0.300 1 100 9 9 LEU CD1 C 25.250 0.300 2 101 9 9 LEU CD2 C 24.020 0.300 2 102 9 9 LEU N N 120.068 0.300 1 103 10 10 LEU H H 7.945 0.030 1 104 10 10 LEU HA H 4.310 0.030 1 105 10 10 LEU HB2 H 1.663 0.030 1 106 10 10 LEU HB3 H 1.663 0.030 1 107 10 10 LEU HG H 1.622 0.030 1 108 10 10 LEU HD1 H 0.936 0.030 2 109 10 10 LEU HD2 H 0.881 0.030 2 110 10 10 LEU C C 176.120 0.300 1 111 10 10 LEU CA C 55.151 0.300 1 112 10 10 LEU CB C 42.570 0.300 1 113 10 10 LEU CG C 27.165 0.300 1 114 10 10 LEU CD1 C 25.250 0.300 2 115 10 10 LEU CD2 C 24.020 0.300 2 116 10 10 LEU N N 118.045 0.300 1 117 11 11 GLN H H 7.930 0.030 1 118 11 11 GLN HA H 4.369 0.030 1 119 11 11 GLN HB2 H 1.948 0.030 2 120 11 11 GLN HB3 H 2.118 0.030 2 121 11 11 GLN HG2 H 2.365 0.030 1 122 11 11 GLN HG3 H 2.365 0.030 1 123 11 11 GLN HE21 H 7.529 0.030 2 124 11 11 GLN HE22 H 6.828 0.030 2 125 11 11 GLN C C 175.954 0.300 1 126 11 11 GLN CA C 56.019 0.300 1 127 11 11 GLN CB C 29.383 0.300 1 128 11 11 GLN CG C 33.963 0.300 1 129 11 11 GLN N N 118.650 0.300 1 130 11 11 GLN NE2 N 112.030 0.300 1 131 12 12 SER H H 7.998 0.030 1 132 12 12 SER HA H 4.365 0.030 1 133 12 12 SER HB2 H 3.923 0.030 2 134 12 12 SER HB3 H 3.818 0.030 2 135 12 12 SER C C 174.724 0.300 1 136 12 12 SER CA C 58.916 0.300 1 137 12 12 SER CB C 64.111 0.300 1 138 12 12 SER N N 115.913 0.300 1 139 13 13 ASP H H 8.541 0.030 1 140 13 13 ASP HA H 4.521 0.030 1 141 13 13 ASP HB2 H 2.512 0.030 1 142 13 13 ASP HB3 H 2.512 0.030 1 143 13 13 ASP CA C 54.995 0.300 1 144 13 13 ASP CB C 40.779 0.300 1 145 13 13 ASP N N 122.250 0.300 1 146 14 14 TYR H H 7.929 0.030 1 147 14 14 TYR HA H 4.375 0.030 1 148 14 14 TYR HB2 H 2.918 0.030 2 149 14 14 TYR HB3 H 2.980 0.030 2 150 14 14 TYR HD1 H 7.098 0.030 1 151 14 14 TYR HD2 H 7.098 0.030 1 152 14 14 TYR HE1 H 6.830 0.030 1 153 14 14 TYR HE2 H 6.830 0.030 1 154 14 14 TYR C C 176.120 0.300 1 155 14 14 TYR CA C 59.334 0.300 1 156 14 14 TYR CB C 38.720 0.300 1 157 14 14 TYR CD1 C 133.103 0.300 1 158 14 14 TYR CD2 C 133.103 0.300 1 159 14 14 TYR CE1 C 118.140 0.300 1 160 14 14 TYR CE2 C 118.140 0.300 1 161 14 14 TYR N N 118.956 0.300 1 162 15 15 MET H H 7.882 0.030 1 163 15 15 MET HA H 4.490 0.030 1 164 15 15 MET HB2 H 2.054 0.030 1 165 15 15 MET HB3 H 2.054 0.030 1 166 15 15 MET HG2 H 2.605 0.030 2 167 15 15 MET HG3 H 2.420 0.030 2 168 15 15 MET HE H 2.075 0.030 1 169 15 15 MET C C 175.943 0.300 1 170 15 15 MET CA C 55.544 0.300 1 171 15 15 MET CB C 32.070 0.300 1 172 15 15 MET CG C 32.387 0.300 1 173 15 15 MET CE C 17.173 0.300 1 174 15 15 MET N N 117.315 0.300 1 175 16 16 ASN H H 7.981 0.030 1 176 16 16 ASN HA H 4.649 0.030 1 177 16 16 ASN HB2 H 2.879 0.030 2 178 16 16 ASN HB3 H 2.672 0.030 2 179 16 16 ASN HD21 H 7.712 0.030 2 180 16 16 ASN HD22 H 6.883 0.030 2 181 16 16 ASN C C 175.024 0.300 1 182 16 16 ASN CA C 53.301 0.300 1 183 16 16 ASN CB C 38.811 0.300 1 184 16 16 ASN N N 117.761 0.300 1 185 16 16 ASN ND2 N 113.132 0.300 1 186 17 17 MET H H 8.108 0.030 1 187 17 17 MET HA H 4.434 0.030 1 188 17 17 MET HB2 H 2.033 0.030 2 189 17 17 MET HB3 H 2.133 0.030 2 190 17 17 MET HG2 H 2.605 0.030 2 191 17 17 MET HG3 H 2.524 0.030 2 192 17 17 MET HE H 2.075 0.030 1 193 17 17 MET C C 175.477 0.300 1 194 17 17 MET CA C 55.609 0.300 1 195 17 17 MET CB C 33.275 0.300 1 196 17 17 MET CG C 32.290 0.300 1 197 17 17 MET CE C 17.173 0.300 1 198 17 17 MET N N 119.840 0.300 1 199 18 18 THR H H 8.022 0.030 1 200 18 18 THR HA H 4.544 0.030 1 201 18 18 THR HB H 4.152 0.030 1 202 18 18 THR HG2 H 1.235 0.030 1 203 18 18 THR CA C 60.036 0.300 1 204 18 18 THR CB C 69.708 0.300 1 205 18 18 THR CG2 C 21.580 0.300 1 206 18 18 THR N N 115.771 0.300 1 207 19 19 PRO HA H 4.440 0.030 1 208 19 19 PRO HB2 H 1.877 0.030 2 209 19 19 PRO HB3 H 2.276 0.030 2 210 19 19 PRO HG2 H 1.965 0.030 1 211 19 19 PRO HG3 H 1.965 0.030 1 212 19 19 PRO HD2 H 3.793 0.030 2 213 19 19 PRO HD3 H 3.713 0.030 2 214 19 19 PRO C C 176.275 0.300 1 215 19 19 PRO CA C 63.231 0.300 1 216 19 19 PRO CB C 32.080 0.300 1 217 19 19 PRO CG C 27.423 0.300 1 218 19 19 PRO CD C 50.554 0.300 1 219 20 20 ARG H H 8.309 0.030 1 220 20 20 ARG HA H 4.358 0.030 1 221 20 20 ARG HB2 H 1.846 0.030 2 222 20 20 ARG HB3 H 1.760 0.030 2 223 20 20 ARG HG2 H 1.635 0.030 1 224 20 20 ARG HG3 H 1.635 0.030 1 225 20 20 ARG HD2 H 3.186 0.030 1 226 20 20 ARG HD3 H 3.186 0.030 1 227 20 20 ARG HE H 7.415 0.030 1 228 20 20 ARG C C 175.644 0.300 1 229 20 20 ARG CA C 55.855 0.300 1 230 20 20 ARG CB C 30.748 0.300 1 231 20 20 ARG CG C 27.176 0.300 1 232 20 20 ARG CD C 43.450 0.300 1 233 20 20 ARG N N 120.637 0.300 1 234 20 20 ARG NE N 84.540 0.300 1 235 21 21 ARG H H 8.314 0.030 1 236 21 21 ARG HA H 4.530 0.030 1 237 21 21 ARG HB2 H 1.806 0.030 2 238 21 21 ARG HB3 H 1.690 0.030 2 239 21 21 ARG HG2 H 1.608 0.030 1 240 21 21 ARG HG3 H 1.608 0.030 1 241 21 21 ARG HD2 H 3.180 0.030 1 242 21 21 ARG HD3 H 3.180 0.030 1 243 21 21 ARG HE H 7.415 0.030 1 244 21 21 ARG CA C 53.816 0.300 1 245 21 21 ARG CB C 30.294 0.300 1 246 21 21 ARG CG C 27.000 0.300 1 247 21 21 ARG CD C 43.450 0.300 1 248 21 21 ARG N N 121.798 0.300 1 249 21 21 ARG NE N 84.540 0.300 1 250 22 22 PRO HA H 4.450 0.030 1 251 22 22 PRO HB2 H 1.852 0.030 2 252 22 22 PRO HB3 H 2.300 0.030 2 253 22 22 PRO HG2 H 1.980 0.030 2 254 22 22 PRO HG3 H 2.039 0.030 2 255 22 22 PRO HD2 H 3.740 0.030 2 256 22 22 PRO HD3 H 3.522 0.030 2 257 22 22 PRO C C 176.962 0.300 1 258 22 22 PRO CA C 63.255 0.300 1 259 22 22 PRO CB C 31.931 0.300 1 260 22 22 PRO CG C 27.440 0.300 1 261 22 22 PRO CD C 50.580 0.300 1 262 23 23 GLY H H 8.481 0.030 1 263 23 23 GLY HA2 H 3.975 0.030 1 264 23 23 GLY HA3 H 3.975 0.030 1 265 23 23 GLY C C 173.893 0.300 1 266 23 23 GLY CA C 45.500 0.300 1 267 23 23 GLY N N 108.525 0.300 1 268 24 24 LEU H H 8.176 0.030 1 269 24 24 LEU HA H 4.399 0.030 1 270 24 24 LEU HB2 H 1.661 0.030 1 271 24 24 LEU HB3 H 1.661 0.030 1 272 24 24 LEU HG H 1.586 0.030 1 273 24 24 LEU HD1 H 0.941 0.030 2 274 24 24 LEU HD2 H 0.881 0.030 2 275 24 24 LEU C C 176.973 0.300 1 276 24 24 LEU CA C 55.516 0.300 1 277 24 24 LEU CB C 42.614 0.300 1 278 24 24 LEU CG C 27.072 0.300 1 279 24 24 LEU CD1 C 25.292 0.300 2 280 24 24 LEU CD2 C 24.020 0.300 2 281 24 24 LEU N N 120.847 0.300 1 282 25 25 THR H H 8.033 0.030 1 283 25 25 THR HA H 4.367 0.030 1 284 25 25 THR HB H 4.221 0.030 1 285 25 25 THR HG2 H 1.190 0.030 1 286 25 25 THR C C 174.192 0.300 1 287 25 25 THR CA C 61.630 0.300 1 288 25 25 THR CB C 69.972 0.300 1 289 25 25 THR CG2 C 21.670 0.300 1 290 25 25 THR N N 113.032 0.300 1 291 26 26 ARG H H 8.328 0.030 1 292 26 26 ARG HA H 4.361 0.030 1 293 26 26 ARG HB2 H 1.691 0.030 1 294 26 26 ARG HB3 H 1.691 0.030 1 295 26 26 ARG HG2 H 1.560 0.030 1 296 26 26 ARG HG3 H 1.560 0.030 1 297 26 26 ARG HD2 H 3.170 0.030 1 298 26 26 ARG HD3 H 3.170 0.030 1 299 26 26 ARG HE H 7.362 0.030 1 300 26 26 ARG C C 175.766 0.300 1 301 26 26 ARG CA C 55.871 0.300 1 302 26 26 ARG CB C 31.030 0.300 1 303 26 26 ARG CG C 26.929 0.300 1 304 26 26 ARG CD C 43.245 0.300 1 305 26 26 ARG N N 122.940 0.300 1 306 26 26 ARG NE N 84.768 0.300 1 307 27 27 LYS H H 8.368 0.030 1 308 27 27 LYS HA H 4.547 0.030 1 309 27 27 LYS HB2 H 1.659 0.030 2 310 27 27 LYS HB3 H 1.725 0.030 2 311 27 27 LYS HG2 H 1.466 0.030 1 312 27 27 LYS HG3 H 1.466 0.030 1 313 27 27 LYS HD2 H 1.683 0.030 1 314 27 27 LYS HD3 H 1.683 0.030 1 315 27 27 LYS HE2 H 2.995 0.030 1 316 27 27 LYS HE3 H 2.995 0.030 1 317 27 27 LYS CA C 54.209 0.300 1 318 27 27 LYS CB C 32.455 0.300 1 319 27 27 LYS CG C 24.770 0.300 1 320 27 27 LYS CD C 29.213 0.300 1 321 27 27 LYS CE C 42.170 0.300 1 322 27 27 LYS N N 123.374 0.300 1 323 28 28 PRO HA H 4.325 0.030 1 324 28 28 PRO HB2 H 2.215 0.030 2 325 28 28 PRO HB3 H 1.765 0.030 2 326 28 28 PRO HG2 H 1.928 0.030 1 327 28 28 PRO HG3 H 1.928 0.030 1 328 28 28 PRO HD2 H 3.813 0.030 2 329 28 28 PRO HD3 H 3.624 0.030 2 330 28 28 PRO C C 176.220 0.300 1 331 28 28 PRO CA C 63.166 0.300 1 332 28 28 PRO CB C 32.013 0.300 1 333 28 28 PRO CG C 27.440 0.300 1 334 28 28 PRO CD C 50.569 0.300 1 335 29 29 TYR H H 8.102 0.030 1 336 29 29 TYR HA H 4.438 0.030 1 337 29 29 TYR HB2 H 2.900 0.030 2 338 29 29 TYR HB3 H 3.050 0.030 2 339 29 29 TYR HD1 H 7.098 0.030 1 340 29 29 TYR HD2 H 7.098 0.030 1 341 29 29 TYR HE1 H 6.830 0.030 1 342 29 29 TYR HE2 H 6.830 0.030 1 343 29 29 TYR C C 174.901 0.300 1 344 29 29 TYR CA C 57.951 0.300 1 345 29 29 TYR CB C 38.720 0.300 1 346 29 29 TYR CD1 C 133.103 0.300 1 347 29 29 TYR CD2 C 133.103 0.300 1 348 29 29 TYR CE1 C 118.140 0.300 1 349 29 29 TYR CE2 C 118.140 0.300 1 350 29 29 TYR N N 119.698 0.300 1 351 30 30 GLN H H 7.978 0.030 1 352 30 30 GLN HA H 4.542 0.030 1 353 30 30 GLN HB2 H 1.829 0.030 2 354 30 30 GLN HB3 H 1.940 0.030 2 355 30 30 GLN HG2 H 2.240 0.030 1 356 30 30 GLN HG3 H 2.240 0.030 1 357 30 30 GLN HE21 H 7.525 0.030 2 358 30 30 GLN HE22 H 6.868 0.030 2 359 30 30 GLN CA C 53.098 0.300 1 360 30 30 GLN CB C 29.669 0.300 1 361 30 30 GLN CG C 33.603 0.300 1 362 30 30 GLN N N 123.695 0.300 1 363 30 30 GLN NE2 N 112.014 0.300 1 364 31 31 PRO HA H 4.283 0.030 1 365 31 31 PRO HB2 H 1.718 0.030 2 366 31 31 PRO HB3 H 2.156 0.030 2 367 31 31 PRO HG2 H 1.926 0.030 1 368 31 31 PRO HG3 H 1.926 0.030 1 369 31 31 PRO HD2 H 3.550 0.030 2 370 31 31 PRO HD3 H 3.449 0.030 2 371 31 31 PRO C C 176.220 0.300 1 372 31 31 PRO CA C 63.100 0.300 1 373 31 31 PRO CB C 31.950 0.300 1 374 31 31 PRO CG C 27.100 0.300 1 375 31 31 PRO CD C 50.370 0.300 1 376 32 32 TYR H H 8.095 0.030 1 377 32 32 TYR HA H 4.493 0.030 1 378 32 32 TYR HB2 H 2.973 0.030 1 379 32 32 TYR HB3 H 2.973 0.030 1 380 32 32 TYR HD1 H 7.098 0.030 1 381 32 32 TYR HD2 H 7.098 0.030 1 382 32 32 TYR HE1 H 6.830 0.030 1 383 32 32 TYR HE2 H 6.830 0.030 1 384 32 32 TYR C C 174.746 0.300 1 385 32 32 TYR CA C 57.854 0.300 1 386 32 32 TYR CB C 38.684 0.300 1 387 32 32 TYR CD1 C 133.103 0.300 1 388 32 32 TYR CD2 C 133.103 0.300 1 389 32 32 TYR CE1 C 118.140 0.300 1 390 32 32 TYR CE2 C 118.140 0.300 1 391 32 32 TYR N N 119.592 0.300 1 392 33 33 ALA H H 7.984 0.030 1 393 33 33 ALA HA H 4.515 0.030 1 394 33 33 ALA HB H 1.270 0.030 1 395 33 33 ALA CA C 50.249 0.300 1 396 33 33 ALA CB C 18.790 0.300 1 397 33 33 ALA N N 127.154 0.300 1 398 34 34 PRO HA H 4.321 0.030 1 399 34 34 PRO HB2 H 1.890 0.030 2 400 34 34 PRO HB3 H 2.250 0.030 2 401 34 34 PRO HG2 H 1.950 0.030 1 402 34 34 PRO HG3 H 1.950 0.030 1 403 34 34 PRO HD2 H 3.540 0.030 1 404 34 34 PRO HD3 H 3.540 0.030 1 405 34 34 PRO C C 176.641 0.300 1 406 34 34 PRO CA C 63.002 0.300 1 407 34 34 PRO CB C 32.080 0.300 1 408 34 34 PRO CG C 27.276 0.300 1 409 34 34 PRO CD C 50.376 0.300 1 410 35 35 ALA H H 8.301 0.030 1 411 35 35 ALA HA H 4.245 0.030 1 412 35 35 ALA HB H 1.386 0.030 1 413 35 35 ALA C C 177.827 0.300 1 414 35 35 ALA CA C 52.564 0.300 1 415 35 35 ALA CB C 19.166 0.300 1 416 35 35 ALA N N 123.287 0.300 1 417 36 36 ARG H H 8.175 0.030 1 418 36 36 ARG HA H 4.216 0.030 1 419 36 36 ARG HB2 H 1.732 0.030 2 420 36 36 ARG HB3 H 1.669 0.030 2 421 36 36 ARG HG2 H 1.540 0.030 1 422 36 36 ARG HG3 H 1.540 0.030 1 423 36 36 ARG HD2 H 3.132 0.030 1 424 36 36 ARG HD3 H 3.132 0.030 1 425 36 36 ARG HE H 7.373 0.030 1 426 36 36 ARG C C 175.754 0.300 1 427 36 36 ARG CA C 56.124 0.300 1 428 36 36 ARG CB C 30.666 0.300 1 429 36 36 ARG CG C 27.020 0.300 1 430 36 36 ARG CD C 43.500 0.300 1 431 36 36 ARG N N 119.435 0.300 1 432 36 36 ARG NE N 84.683 0.300 1 433 37 37 ASP H H 8.183 0.030 1 434 37 37 ASP HA H 4.564 0.030 1 435 37 37 ASP HB2 H 2.549 0.030 2 436 37 37 ASP HB3 H 2.654 0.030 2 437 37 37 ASP C C 176.142 0.300 1 438 37 37 ASP CA C 54.205 0.300 1 439 37 37 ASP CB C 41.090 0.300 1 440 37 37 ASP N N 120.525 0.300 1 441 38 38 PHE H H 8.157 0.030 1 442 38 38 PHE HA H 4.504 0.030 1 443 38 38 PHE HB2 H 3.040 0.030 2 444 38 38 PHE HB3 H 3.180 0.030 2 445 38 38 PHE HD1 H 7.277 0.030 1 446 38 38 PHE HD2 H 7.277 0.030 1 447 38 38 PHE HE1 H 7.277 0.030 1 448 38 38 PHE HE2 H 7.277 0.030 1 449 38 38 PHE HZ H 7.184 0.030 1 450 38 38 PHE C C 175.788 0.300 1 451 38 38 PHE CA C 58.372 0.300 1 452 38 38 PHE CB C 39.298 0.300 1 453 38 38 PHE CD1 C 131.970 0.300 1 454 38 38 PHE CD2 C 131.970 0.300 1 455 38 38 PHE CE1 C 131.232 0.300 1 456 38 38 PHE CE2 C 131.232 0.300 1 457 38 38 PHE CZ C 129.514 0.300 1 458 38 38 PHE N N 120.877 0.300 1 459 39 39 ALA H H 8.124 0.030 1 460 39 39 ALA HA H 4.205 0.030 1 461 39 39 ALA HB H 1.336 0.030 1 462 39 39 ALA C C 177.328 0.300 1 463 39 39 ALA CA C 52.875 0.300 1 464 39 39 ALA CB C 19.056 0.300 1 465 39 39 ALA N N 123.938 0.300 1 466 40 40 ALA H H 7.882 0.030 1 467 40 40 ALA HA H 4.203 0.030 1 468 40 40 ALA HB H 1.294 0.030 1 469 40 40 ALA C C 177.217 0.300 1 470 40 40 ALA CA C 52.520 0.300 1 471 40 40 ALA CB C 19.056 0.300 1 472 40 40 ALA N N 121.465 0.300 1 473 41 41 TYR H H 7.929 0.030 1 474 41 41 TYR HA H 4.490 0.030 1 475 41 41 TYR HB2 H 2.971 0.030 1 476 41 41 TYR HB3 H 2.971 0.030 1 477 41 41 TYR HD1 H 7.098 0.030 1 478 41 41 TYR HD2 H 7.098 0.030 1 479 41 41 TYR HE1 H 6.830 0.030 1 480 41 41 TYR HE2 H 6.830 0.030 1 481 41 41 TYR C C 174.912 0.300 1 482 41 41 TYR CA C 57.851 0.300 1 483 41 41 TYR CB C 38.725 0.300 1 484 41 41 TYR CD1 C 133.103 0.300 1 485 41 41 TYR CD2 C 133.103 0.300 1 486 41 41 TYR CE1 C 118.140 0.300 1 487 41 41 TYR CE2 C 118.140 0.300 1 488 41 41 TYR N N 119.040 0.300 1 489 42 42 ARG H H 7.855 0.030 1 490 42 42 ARG HA H 4.530 0.030 1 491 42 42 ARG HB2 H 1.780 0.030 2 492 42 42 ARG HB3 H 1.646 0.030 2 493 42 42 ARG HG2 H 1.642 0.030 1 494 42 42 ARG HG3 H 1.642 0.030 1 495 42 42 ARG HD2 H 3.160 0.030 1 496 42 42 ARG HD3 H 3.160 0.030 1 497 42 42 ARG HE H 7.376 0.030 1 498 42 42 ARG CA C 53.187 0.300 1 499 42 42 ARG CB C 30.746 0.300 1 500 42 42 ARG CG C 27.276 0.300 1 501 42 42 ARG CD C 43.500 0.300 1 502 42 42 ARG N N 124.965 0.300 1 503 42 42 ARG NE N 84.723 0.300 1 504 43 43 PRO HA H 4.157 0.030 1 505 43 43 PRO HB2 H 1.900 0.030 2 506 43 43 PRO HB3 H 2.215 0.030 2 507 43 43 PRO HG2 H 1.921 0.030 1 508 43 43 PRO HG3 H 1.921 0.030 1 509 43 43 PRO HD2 H 3.513 0.030 2 510 43 43 PRO HD3 H 3.458 0.030 2 511 43 43 PRO CA C 64.599 0.300 1 512 43 43 PRO CB C 32.090 0.300 1 513 43 43 PRO CG C 27.076 0.300 1 514 43 43 PRO CD C 50.423 0.300 1 stop_ save_