data_26624 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; integrin beta1 transmembrane and cytoplasmic domain ; _BMRB_accession_number 26624 _BMRB_flat_file_name bmr26624.str _Entry_type original _Submission_date 2015-08-02 _Accession_date 2015-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'backbone chemical shift assignment of integrin beta1 transmembrane and cytoplasmic domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Zhenwei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 68 "13C chemical shifts" 188 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26623 'integrin beta1 TM/CT' stop_ _Original_release_date 2015-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Implications of the differing roles of the beta1 and beta3 transmembrane and cytoplasmic domains for integrin function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27929375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Zhenwei . . 2 Mathew Sijo . . 3 Chen Jiang . . 4 Hadziselimovic Arina . . 5 Palamuttam Riya . . 6 Hudson Billy G. . 7 Fassler Reinhard . . 8 Pozzi Ambra . . 9 Sanders Charles R. . 10 Zent Roy . . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 5 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e18633 _Page_last e18633 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'integrin beta1 TM/CT' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'integrin beta1 TM/CT' $integrin_beta1_C723S_TM-CT stop_ _System_molecular_weight 10103.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_integrin_beta1_C723S_TM-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common integrin_beta1_C723S_TM-CT _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MGHHHHHHGMENPESPTGPD IIPIVAGVVAGIVLIGLALL LIWKLLMIIHDRREFAKFEK EKMNAKWDTGENPIYKSAVT TVVNPKYEGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 GLY 3 -7 HIS 4 -6 HIS 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 HIS 9 -1 GLY 10 0 MET 11 1 GLU 12 2 ASN 13 3 PRO 14 4 GLU 15 5 SER 16 6 PRO 17 7 THR 18 8 GLY 19 9 PRO 20 10 ASP 21 11 ILE 22 12 ILE 23 13 PRO 24 14 ILE 25 15 VAL 26 16 ALA 27 17 GLY 28 18 VAL 29 19 VAL 30 20 ALA 31 21 GLY 32 22 ILE 33 23 VAL 34 24 LEU 35 25 ILE 36 26 GLY 37 27 LEU 38 28 ALA 39 29 LEU 40 30 LEU 41 31 LEU 42 32 ILE 43 33 TRP 44 34 LYS 45 35 LEU 46 36 LEU 47 37 MET 48 38 ILE 49 39 ILE 50 40 HIS 51 41 ASP 52 42 ARG 53 43 ARG 54 44 GLU 55 45 PHE 56 46 ALA 57 47 LYS 58 48 PHE 59 49 GLU 60 50 LYS 61 51 GLU 62 52 LYS 63 53 MET 64 54 ASN 65 55 ALA 66 56 LYS 67 57 TRP 68 58 ASP 69 59 THR 70 60 GLY 71 61 GLU 72 62 ASN 73 63 PRO 74 64 ILE 75 65 TYR 76 66 LYS 77 67 SER 78 68 ALA 79 69 VAL 80 70 THR 81 71 THR 82 72 VAL 83 73 VAL 84 74 ASN 85 75 PRO 86 76 LYS 87 77 TYR 88 78 GLU 89 79 GLY 90 80 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 $integrin_beta1_C723S_TM-CT enterobacteria 562 Bacteria . Escherichia coli 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 $integrin_beta1_C723S_TM-CT 'recombinant technology' . Escherichia coli . pet16b 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 $integrin_beta1_C723S_TM-CT 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 250 . mM pH 6.5 . 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 water C 13 protons ppm 4.582 internal indirect . . . 0.251493 water H 1 protons ppm 4.582 internal direct . . . 1 water N 15 protons ppm 4.582 internal indirect . . . 0.10134 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 HNCO' '3D HNCA' '3D HNCACB' 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 'integrin beta1 TM/CT' _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 3 13 PRO C C 176.8649 0.26 1 2 3 13 PRO CA C 63.1266 0.26 1 3 3 13 PRO CB C 31.3647 0.26 1 4 4 14 GLU H H 8.2307 0.0063 1 5 4 14 GLU C C 176.3308 0.26 1 6 4 14 GLU CA C 56.0782 0.26 1 7 4 14 GLU CB C 29.5624 0.26 1 8 4 14 GLU N N 120.2962 0.18 1 9 5 15 SER H H 8.0640 0.0063 1 10 5 15 SER CA C 56.0310 0.26 1 11 5 15 SER CB C 63.4561 0.26 1 12 5 15 SER N N 117.7132 0.18 1 13 6 16 PRO C C 176.9615 0.26 1 14 6 16 PRO CA C 63.0285 0.26 1 15 6 16 PRO CB C 31.4583 0.26 1 16 7 17 THR H H 8.1409 0.0063 1 17 7 17 THR C C 174.8690 0.26 1 18 7 17 THR CA C 61.3675 0.26 1 19 7 17 THR CB C 69.7022 0.26 1 20 7 17 THR N N 113.5838 0.18 1 21 8 18 GLY H H 8.1875 0.0063 1 22 8 18 GLY C C 173.9202 0.26 1 23 8 18 GLY CA C 44.7584 0.26 1 24 8 18 GLY N N 110.7531 0.18 1 25 9 19 PRO CA C 63.1079 0.26 1 26 9 19 PRO CB C 31.3088 0.26 1 27 10 20 ASP H H 8.2568 0.0063 1 28 10 20 ASP CA C 54.3534 0.26 1 29 10 20 ASP CB C 40.5456 0.26 1 30 10 20 ASP N N 120.0375 0.18 1 31 11 21 ILE H H 8.1389 0.0063 1 32 11 21 ILE N N 120.0800 0.18 1 33 12 22 ILE H H 8.1816 0.0063 1 34 12 22 ILE N N 119.8451 0.18 1 35 14 24 ILE H H 8.3081 0.0063 1 36 14 24 ILE C C 177.5302 0.26 1 37 14 24 ILE CA C 64.1118 0.26 1 38 14 24 ILE N N 118.8800 0.18 1 39 15 25 VAL H H 8.1047 0.0063 1 40 15 25 VAL C C 177.5110 0.26 1 41 15 25 VAL CA C 66.5829 0.26 1 42 15 25 VAL CB C 30.5425 0.26 1 43 15 25 VAL N N 119.2440 0.18 1 44 16 26 ALA H H 8.6821 0.0063 1 45 16 26 ALA C C 178.9213 0.26 1 46 16 26 ALA CA C 55.1303 0.26 1 47 16 26 ALA N N 120.2871 0.18 1 48 17 27 GLY H H 8.1522 0.0063 1 49 17 27 GLY C C 173.8000 0.26 1 50 17 27 GLY CA C 47.1289 0.26 1 51 17 27 GLY N N 104.4127 0.18 1 52 18 28 VAL H H 8.2887 0.0063 1 53 18 28 VAL C C 177.6116 0.26 1 54 18 28 VAL CA C 65.1347 0.26 1 55 18 28 VAL CB C 36.6613 0.26 1 56 18 28 VAL N N 121.1096 0.18 1 57 19 29 VAL H H 8.3324 0.0063 1 58 19 29 VAL CA C 66.9374 0.26 1 59 19 29 VAL CB C 30.3786 0.26 1 60 19 29 VAL N N 118.5438 0.18 1 61 20 30 ALA H H 8.4728 0.0063 1 62 20 30 ALA C C 179.0288 0.26 1 63 20 30 ALA CA C 55.1260 0.26 1 64 20 30 ALA CB C 17.2889 0.26 1 65 20 30 ALA N N 120.1118 0.18 1 66 21 31 GLY H H 8.3955 0.0063 1 67 21 31 GLY C C 173.4813 0.26 1 68 21 31 GLY CA C 46.1025 0.26 1 69 21 31 GLY N N 104.1441 0.18 1 70 22 32 ILE H H 8.1430 0.0063 1 71 22 32 ILE CA C 55.2174 0.26 1 72 22 32 ILE CB C 32.4373 0.26 1 73 22 32 ILE N N 120.0756 0.18 1 74 23 33 VAL H H 8.1482 0.0063 1 75 23 33 VAL C C 177.2715 0.26 1 76 23 33 VAL CA C 66.8234 0.26 1 77 23 33 VAL CB C 30.3438 0.26 1 78 23 33 VAL N N 119.3236 0.18 1 79 24 34 LEU H H 8.3193 0.0063 1 80 24 34 LEU CA C 56.1250 0.26 1 81 24 34 LEU CB C 40.7046 0.26 1 82 24 34 LEU N N 119.0015 0.18 1 83 25 35 ILE H H 7.9957 0.0063 1 84 25 35 ILE C C 177.7790 0.26 1 85 25 35 ILE CB C 38.3678 0.26 1 86 25 35 ILE N N 118.5889 0.18 1 87 26 36 GLY H H 8.5489 0.0063 1 88 26 36 GLY C C 174.6232 0.26 1 89 26 36 GLY CA C 47.4147 0.26 1 90 26 36 GLY N N 107.3489 0.18 1 91 27 37 LEU H H 8.5836 0.0063 1 92 27 37 LEU CA C 57.6826 0.26 1 93 27 37 LEU CB C 41.1738 0.26 1 94 27 37 LEU N N 120.4137 0.18 1 95 28 38 ALA C C 178.8149 0.26 1 96 29 39 LEU H H 8.3260 0.0063 1 97 29 39 LEU N N 119.1300 0.18 1 98 30 40 LEU H H 8.2297 0.0063 1 99 30 40 LEU C C 179.1888 0.26 1 100 30 40 LEU N N 118.8393 0.18 1 101 31 41 LEU H H 8.3595 0.0063 1 102 31 41 LEU C C 176.9940 0.26 1 103 31 41 LEU CA C 55.3956 0.26 1 104 31 41 LEU N N 116.5963 0.18 1 105 32 42 ILE H H 8.2744 0.0063 1 106 32 42 ILE C C 177.0303 0.26 1 107 32 42 ILE CA C 65.8453 0.26 1 108 32 42 ILE CB C 33.6780 0.26 1 109 32 42 ILE N N 122.6023 0.18 1 110 33 43 TRP H H 8.6269 0.0063 1 111 33 43 TRP C C 177.3836 0.26 1 112 33 43 TRP CA C 60.6750 0.26 1 113 33 43 TRP CB C 28.5788 0.26 1 114 33 43 TRP N N 120.8687 0.18 1 115 34 44 LYS H H 8.3065 0.0063 1 116 34 44 LYS CA C 57.8906 0.26 1 117 34 44 LYS CB C 30.6915 0.26 1 118 34 44 LYS N N 116.8989 0.18 1 119 35 45 LEU H H 8.4144 0.0063 1 120 35 45 LEU C C 176.1400 0.26 1 121 35 45 LEU CA C 57.7728 0.26 1 122 35 45 LEU CB C 40.2254 0.26 1 123 35 45 LEU N N 118.4244 0.18 1 124 36 46 LEU H H 8.0941 0.0063 1 125 36 46 LEU CB C 40.9825 0.26 1 126 36 46 LEU N N 119.1998 0.18 1 127 37 47 MET H H 7.9820 0.0063 1 128 37 47 MET CA C 59.3826 0.26 1 129 37 47 MET CB C 31.8061 0.26 1 130 37 47 MET N N 118.2568 0.18 1 131 38 48 ILE H H 8.1807 0.0063 1 132 38 48 ILE C C 176.4112 0.26 1 133 38 48 ILE N N 119.7566 0.18 1 134 39 49 ILE C C 177.6074 0.26 1 135 39 49 ILE CA C 64.2636 0.26 1 136 39 49 ILE CB C 37.1117 0.26 1 137 40 50 HIS H H 8.1972 0.0063 1 138 40 50 HIS C C 175.3907 0.26 1 139 40 50 HIS CA C 58.8263 0.26 1 140 40 50 HIS CB C 29.1587 0.26 1 141 40 50 HIS N N 118.8770 0.18 1 142 42 52 ARG H H 8.0295 0.0063 1 143 42 52 ARG C C 177.8566 0.26 1 144 42 52 ARG N N 120.3018 0.18 1 145 43 53 ARG H H 8.0602 0.0063 1 146 43 53 ARG C C 177.3873 0.26 1 147 43 53 ARG CA C 57.6243 0.26 1 148 43 53 ARG CB C 30.6376 0.26 1 149 43 53 ARG N N 120.5898 0.18 1 150 44 54 GLU H H 8.1889 0.0063 1 151 44 54 GLU C C 177.4570 0.26 1 152 44 54 GLU CA C 57.1820 0.26 1 153 44 54 GLU CB C 29.1213 0.26 1 154 44 54 GLU N N 120.1040 0.18 1 155 45 55 PHE H H 7.9951 0.0063 1 156 45 55 PHE C C 176.3552 0.26 1 157 45 55 PHE CA C 58.7414 0.26 1 158 45 55 PHE CB C 38.5515 0.26 1 159 45 55 PHE N N 119.7201 0.18 1 160 46 56 ALA H H 7.8665 0.0063 1 161 46 56 ALA C C 178.3115 0.26 1 162 46 56 ALA CA C 53.0575 0.26 1 163 46 56 ALA CB C 18.1832 0.26 1 164 46 56 ALA N N 122.7332 0.18 1 165 47 57 LYS H H 7.7080 0.0063 1 166 47 57 LYS C C 177.0180 0.26 1 167 47 57 LYS CA C 57.1446 0.26 1 168 47 57 LYS CB C 31.8663 0.26 1 169 47 57 LYS N N 118.8688 0.18 1 170 48 58 PHE H H 7.8632 0.0063 1 171 48 58 PHE C C 176.3133 0.26 1 172 48 58 PHE CA C 58.1329 0.26 1 173 48 58 PHE CB C 38.6545 0.26 1 174 48 58 PHE N N 120.0656 0.18 1 175 49 59 GLU H H 8.0582 0.0063 1 176 49 59 GLU C C 177.1811 0.26 1 177 49 59 GLU CA C 56.9579 0.26 1 178 49 59 GLU CB C 29.4627 0.26 1 179 49 59 GLU N N 121.3699 0.18 1 180 50 60 LYS H H 7.9307 0.0063 1 181 50 60 LYS C C 176.0597 0.26 1 182 50 60 LYS CA C 55.9575 0.26 1 183 50 60 LYS CB C 32.1556 0.26 1 184 50 60 LYS N N 120.5851 0.18 1 185 51 61 GLU H H 8.3493 0.0063 1 186 51 61 GLU C C 177.0611 0.26 1 187 51 61 GLU CA C 56.3204 0.26 1 188 51 61 GLU CB C 29.5269 0.26 1 189 51 61 GLU N N 121.7473 0.18 1 190 52 62 LYS H H 7.9753 0.0063 1 191 52 62 LYS C C 177.0425 0.26 1 192 52 62 LYS CA C 57.1573 0.26 1 193 52 62 LYS CB C 31.9816 0.26 1 194 52 62 LYS N N 121.1378 0.18 1 195 53 63 MET H H 7.9830 0.0063 1 196 53 63 MET C C 175.8340 0.26 1 197 53 63 MET CA C 56.0549 0.26 1 198 53 63 MET CB C 30.7988 0.26 1 199 53 63 MET N N 119.8416 0.18 1 200 54 64 ASN H H 8.2997 0.0063 1 201 54 64 ASN C C 174.8722 0.26 1 202 54 64 ASN CA C 51.0211 0.26 1 203 54 64 ASN CB C 38.5224 0.26 1 204 54 64 ASN N N 120.3405 0.18 1 205 55 65 ALA H H 7.9257 0.0063 1 206 55 65 ALA C C 177.3358 0.26 1 207 55 65 ALA CA C 52.3195 0.26 1 208 55 65 ALA CB C 18.5984 0.26 1 209 55 65 ALA N N 123.9550 0.18 1 210 56 66 LYS H H 7.9143 0.0063 1 211 56 66 LYS C C 176.2933 0.26 1 212 56 66 LYS CA C 56.0347 0.26 1 213 56 66 LYS CB C 32.0801 0.26 1 214 56 66 LYS N N 119.6105 0.18 1 215 57 67 TRP H H 7.8769 0.0063 1 216 57 67 TRP C C 175.7490 0.26 1 217 57 67 TRP CA C 56.6266 0.26 1 218 57 67 TRP CB C 29.4804 0.26 1 219 57 67 TRP N N 121.1582 0.18 1 220 58 68 ASP H H 8.1123 0.0063 1 221 58 68 ASP C C 176.4000 0.26 1 222 58 68 ASP CA C 53.9221 0.26 1 223 58 68 ASP CB C 40.9087 0.26 1 224 58 68 ASP N N 121.8764 0.18 1 225 59 69 THR H H 7.9576 0.0063 1 226 59 69 THR C C 175.4650 0.26 1 227 59 69 THR CA C 61.7904 0.26 1 228 59 69 THR CB C 69.2721 0.26 1 229 59 69 THR N N 113.7267 0.18 1 230 60 70 GLY H H 8.2955 0.0063 1 231 60 70 GLY C C 176.7629 0.26 1 232 60 70 GLY CA C 45.1307 0.26 1 233 60 70 GLY N N 110.8044 0.18 1 234 61 71 GLU H H 8.0320 0.0063 1 235 61 71 GLU C C 175.8977 0.26 1 236 61 71 GLU CB C 29.7361 0.26 1 237 61 71 GLU N N 120.2110 0.18 1 238 62 72 ASN C C 174.9122 0.26 1 239 62 72 ASN CA C 51.0975 0.26 1 240 62 72 ASN CB C 38.8035 0.26 1 241 63 73 PRO C C 177.2157 0.26 1 242 63 73 PRO CA C 63.3088 0.26 1 243 63 73 PRO CB C 31.4438 0.26 1 244 64 74 ILE H H 7.9367 0.0063 1 245 64 74 ILE C C 176.1957 0.26 1 246 64 74 ILE CA C 61.7463 0.26 1 247 64 74 ILE CB C 37.5006 0.26 1 248 64 74 ILE N N 119.1391 0.18 1 249 65 75 TYR H H 7.6526 0.0063 1 250 65 75 TYR C C 175.7182 0.26 1 251 65 75 TYR CA C 57.5242 0.26 1 252 65 75 TYR CB C 37.9754 0.26 1 253 65 75 TYR N N 121.3219 0.18 1 254 66 76 LYS H H 7.8431 0.0063 1 255 66 76 LYS C C 176.3800 0.26 1 256 66 76 LYS CA C 56.2861 0.26 1 257 66 76 LYS CB C 32.2532 0.26 1 258 66 76 LYS N N 122.0592 0.18 1 259 67 77 SER H H 8.0009 0.0063 1 260 67 77 SER C C 174.3904 0.26 1 261 67 77 SER CA C 58.3997 0.26 1 262 67 77 SER CB C 63.7527 0.26 1 263 67 77 SER N N 116.4007 0.18 1 264 68 78 ALA H H 8.1528 0.0063 1 265 68 78 ALA C C 177.7064 0.26 1 266 68 78 ALA CA C 52.4427 0.26 1 267 68 78 ALA CB C 18.7742 0.26 1 268 68 78 ALA N N 125.6260 0.18 1 269 69 79 VAL H H 7.8928 0.0063 1 270 69 79 VAL C C 176.4001 0.26 1 271 69 79 VAL CA C 62.2912 0.26 1 272 69 79 VAL CB C 31.8673 0.26 1 273 69 79 VAL N N 117.8786 0.18 1 274 70 80 THR H H 7.9807 0.0063 1 275 70 80 THR C C 174.5960 0.26 1 276 70 80 THR CA C 61.9785 0.26 1 277 70 80 THR CB C 69.2937 0.26 1 278 70 80 THR N N 116.7577 0.18 1 279 71 81 THR H H 7.9373 0.0063 1 280 71 81 THR C C 174.2561 0.26 1 281 71 81 THR CA C 61.8332 0.26 1 282 71 81 THR CB C 69.3728 0.26 1 283 71 81 THR N N 116.7781 0.18 1 284 72 82 VAL H H 7.9240 0.0063 1 285 72 82 VAL C C 175.7235 0.26 1 286 72 82 VAL CA C 62.0327 0.26 1 287 72 82 VAL CB C 32.0096 0.26 1 288 72 82 VAL N N 122.3161 0.18 1 289 73 83 VAL H H 7.9740 0.0063 1 290 73 83 VAL C C 175.3070 0.26 1 291 73 83 VAL CA C 61.8010 0.26 1 292 73 83 VAL CB C 32.0215 0.26 1 293 73 83 VAL N N 122.9644 0.18 1 294 74 84 ASN H H 8.2796 0.0063 1 295 74 84 ASN C C 172.3048 0.26 1 296 74 84 ASN CA C 50.8794 0.26 1 297 74 84 ASN CB C 38.6614 0.26 1 298 74 84 ASN N N 123.0122 0.18 1 299 75 85 PRO C C 175.8977 0.26 1 300 75 85 PRO CA C 63.1731 0.26 1 301 76 86 LYS H H 8.0324 0.0063 1 302 76 86 LYS C C 176.3283 0.26 1 303 76 86 LYS CA C 55.9923 0.26 1 304 76 86 LYS CB C 31.9022 0.26 1 305 76 86 LYS N N 120.2617 0.18 1 306 77 87 TYR H H 7.9353 0.0063 1 307 77 87 TYR C C 175.6878 0.26 1 308 77 87 TYR CA C 57.3503 0.26 1 309 77 87 TYR CB C 38.1808 0.26 1 310 77 87 TYR N N 121.0520 0.18 1 311 78 88 GLU H H 8.1154 0.0063 1 312 78 88 GLU C C 176.4690 0.26 1 313 78 88 GLU CA C 56.1204 0.26 1 314 78 88 GLU CB C 29.8443 0.26 1 315 78 88 GLU N N 123.1524 0.18 1 316 79 89 GLY H H 7.7623 0.0063 1 317 79 89 GLY C C 173.0323 0.26 1 318 79 89 GLY CA C 45.1522 0.26 1 319 79 89 GLY N N 109.8380 0.18 1 320 80 90 LYS H H 7.6009 0.0063 1 321 80 90 LYS C C 180.2840 0.26 1 322 80 90 LYS CA C 57.1587 0.26 1 323 80 90 LYS CB C 33.0119 0.26 1 324 80 90 LYS N N 125.8915 0.18 1 stop_ save_