data_27625 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N assignment of the CD44 cytoplasmatic tail (669-742) ; _BMRB_accession_number 27625 _BMRB_flat_file_name bmr27625.str _Entry_type original _Submission_date 2018-09-25 _Accession_date 2018-09-25 _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 Fruehbauer Benjamin . . 2 Mateos Borja . . 3 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 218 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-10 update BMRB 'update entry citation' 2019-01-09 original author 'original release' stop_ _Original_release_date 2018-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C resonance assignment of the human CD44 cytoplasmic tail (669-742) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30474821 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fruehbauer Benjamin . . 2 Mateos Borja . . 3 Konrat Robert . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 109 _Page_last 113 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD44ctail _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD44ctail $CD44ctail 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_CD44ctail _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD44ctail _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GAMGAVNSRRRCGQKKKLVI NSGNGAVEDRKPSGLNGEAS KSQEMVHLVNKESSETPDQF MTADETRNLQNVDMKIGV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 ALA 6 VAL 7 ASN 8 SER 9 ARG 10 ARG 11 ARG 12 CYS 13 GLY 14 GLN 15 LYS 16 LYS 17 LYS 18 LEU 19 VAL 20 ILE 21 ASN 22 SER 23 GLY 24 ASN 25 GLY 26 ALA 27 VAL 28 GLU 29 ASP 30 ARG 31 LYS 32 PRO 33 SER 34 GLY 35 LEU 36 ASN 37 GLY 38 GLU 39 ALA 40 SER 41 LYS 42 SER 43 GLN 44 GLU 45 MET 46 VAL 47 HIS 48 LEU 49 VAL 50 ASN 51 LYS 52 GLU 53 SER 54 SER 55 GLU 56 THR 57 PRO 58 ASP 59 GLN 60 PHE 61 MET 62 THR 63 ALA 64 ASP 65 GLU 66 THR 67 ARG 68 ASN 69 LEU 70 GLN 71 ASN 72 VAL 73 ASP 74 MET 75 LYS 76 ILE 77 GLY 78 VAL 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 _Strain $CD44ctail Human 9606 Eukaryota Metazoa Homo sapiens BL21 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 $CD44ctail 'recombinant technology' . Escherichia coli BL21 pETM11 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 $CD44ctail 4.5 mM '[U-100% 13C; U-100% 15N]' D2O 10 % [U-2H] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . CCPN . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Neo _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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' 0.05 . M 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 HNCO' '3D HCACO' '3D HNCACB' '3D HN(COCA)CB' 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 CD44ctail _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 ALA C C 177.693 0 1 2 2 2 ALA CA C 52.277 0 1 3 2 2 ALA CB C 19.538 0 1 4 3 3 MET H H 8.458 0 1 5 3 3 MET C C 176.561 0 1 6 3 3 MET CA C 55.351 0 1 7 3 3 MET CB C 32.882 0 1 8 3 3 MET N N 119.079 0 1 9 4 4 GLY H H 8.301 0 1 10 4 4 GLY C C 173.485 0 1 11 4 4 GLY CA C 44.881 0 1 12 4 4 GLY N N 109.345 0 1 13 5 5 ALA H H 8.052 0 1 14 5 5 ALA C C 177.818 0 1 15 5 5 ALA CA C 52.198 0 1 16 5 5 ALA CB C 19.465 0 1 17 5 5 ALA N N 122.916 0 1 18 6 6 VAL H H 8.077 0 1 19 6 6 VAL C C 175.931 0 1 20 6 6 VAL CA C 62.417 0 1 21 6 6 VAL CB C 32.877 0 1 22 6 6 VAL N N 118.603 0 1 23 7 7 ASN H H 8.401 0 1 24 7 7 ASN C C 175.138 0 1 25 7 7 ASN CA C 52.99 0 1 26 7 7 ASN CB C 38.994 0 1 27 7 7 ASN N N 120.987 0 1 28 8 8 SER H H 8.155 0 1 29 8 8 SER C C 174.431 0 1 30 8 8 SER CA C 58.465 0 1 31 8 8 SER CB C 63.86 0 1 32 8 8 SER N N 115.639 0 1 33 9 9 ARG H H 8.227 0 1 34 9 9 ARG C C 176.152 0 1 35 9 9 ARG CA C 56.155 0 1 36 9 9 ARG CB C 30.71 0 1 37 9 9 ARG N N 121.727 0 1 38 10 10 ARG H H 8.134 0 1 39 10 10 ARG CA C 56.058 0 1 40 10 10 ARG CB C 30.921 0 1 41 10 10 ARG N N 120.882 0 1 42 12 12 CYS H H 8.326 0 1 43 12 12 CYS C C 174.838 0 1 44 12 12 CYS CA C 58.447 0 1 45 12 12 CYS CB C 28.421 0 1 46 12 12 CYS N N 119.561 0 1 47 13 13 GLY H H 8.447 0 1 48 13 13 GLY C C 173.675 0 1 49 13 13 GLY CA C 45.057 0 1 50 13 13 GLY N N 110.33 0 1 51 14 14 GLN H H 8.154 0 1 52 14 14 GLN C C 175.774 0 1 53 14 14 GLN CA C 55.494 0 1 54 14 14 GLN CB C 29.897 0 1 55 14 14 GLN N N 119.005 0 1 56 15 15 LYS H H 8.327 0 1 57 15 15 LYS C C 176.236 0 1 58 15 15 LYS CA C 56.127 0 1 59 15 15 LYS CB C 33.196 0 1 60 15 15 LYS N N 122.256 0 1 61 16 16 LYS H H 8.237 0 1 62 16 16 LYS C C 175.993 0 1 63 16 16 LYS CA C 56.009 0 1 64 16 16 LYS N N 122.217 0 1 65 17 17 LYS H H 8.246 0 1 66 17 17 LYS CA C 55.998 0 1 67 17 17 LYS CB C 33.268 0 1 68 17 17 LYS N N 122.598 0 1 69 18 18 LEU H H 8.188 0 1 70 18 18 LEU C C 176.525 0 1 71 18 18 LEU CA C 54.737 0 1 72 18 18 LEU CB C 42.68 0 1 73 18 18 LEU N N 123.789 0 1 74 19 19 VAL H H 8.126 0 1 75 19 19 VAL C C 175.522 0 1 76 19 19 VAL CA C 61.984 0 1 77 19 19 VAL CB C 32.975 0 1 78 19 19 VAL N N 122.351 0 1 79 20 20 ILE H H 8.206 0 1 80 20 20 ILE C C 175.492 0 1 81 20 20 ILE CA C 60.478 0 1 82 20 20 ILE CB C 38.941 0 1 83 20 20 ILE N N 124.673 0 1 84 21 21 ASN H H 8.492 0 1 85 21 21 ASN C C 174.823 0 1 86 21 21 ASN CA C 52.793 0 1 87 21 21 ASN CB C 39.135 0 1 88 21 21 ASN N N 122.55 0 1 89 22 22 SER H H 8.289 0 1 90 22 22 SER C C 174.749 0 1 91 22 22 SER CA C 58.365 0 1 92 22 22 SER CB C 64.068 0 1 93 22 22 SER N N 115.876 0 1 94 23 23 GLY H H 8.349 0 1 95 23 23 GLY C C 173.839 0 1 96 23 23 GLY CA C 45.149 0 1 97 23 23 GLY N N 109.556 0 1 98 24 24 ASN H H 8.221 0 1 99 24 24 ASN C C 175.567 0 1 100 24 24 ASN CA C 52.914 0 1 101 24 24 ASN CB C 39.098 0 1 102 24 24 ASN N N 117.561 0 1 103 25 25 GLY H H 8.325 0 1 104 25 25 GLY C C 173.455 0 1 105 25 25 GLY CA C 45.038 0 1 106 25 25 GLY N N 108.46 0 1 107 26 26 ALA H H 7.992 0 1 108 26 26 ALA C C 177.601 0 1 109 26 26 ALA CA C 52.068 0 1 110 26 26 ALA CB C 19.501 0 1 111 26 26 ALA N N 122.751 0 1 112 27 27 VAL H H 8.049 0 1 113 27 27 VAL C C 176.089 0 1 114 27 27 VAL CA C 62.245 0 1 115 27 27 VAL CB C 32.986 0 1 116 27 27 VAL N N 118.782 0 1 117 28 28 GLU H H 8.401 0 1 118 28 28 GLU C C 175.707 0 1 119 28 28 GLU CA C 56.269 0 1 120 28 28 GLU CB C 30.568 0 1 121 28 28 GLU N N 123.374 0 1 122 29 29 ASP H H 8.224 0 1 123 29 29 ASP C C 175.67 0 1 124 29 29 ASP CA C 54.001 0 1 125 29 29 ASP CB C 41.321 0 1 126 29 29 ASP N N 121.124 0 1 127 30 30 ARG H H 8.068 0 1 128 30 30 ARG C C 175.771 0 1 129 30 30 ARG CA C 55.584 0 1 130 30 30 ARG CB C 30.911 0 1 131 30 30 ARG N N 120.483 0 1 132 31 31 LYS H H 8.281 0 1 133 31 31 LYS C C 174.311 0 1 134 31 31 LYS CA C 54.043 0 1 135 31 31 LYS CB C 32.46 0 1 136 31 31 LYS N N 123.247 0 1 137 32 32 PRO C C 176.712 0 1 138 32 32 PRO CA C 62.929 0 1 139 32 32 PRO CB C 32.317 0 1 140 33 33 SER H H 8.383 0 1 141 33 33 SER C C 174.915 0 1 142 33 33 SER CA C 58.264 0 1 143 33 33 SER CB C 64.224 0 1 144 33 33 SER N N 115.487 0 1 145 34 34 GLY H H 8.317 0 1 146 34 34 GLY C C 173.994 0 1 147 34 34 GLY CA C 45.048 0 1 148 34 34 GLY N N 109.611 0 1 149 35 35 LEU H H 8.056 0 1 150 35 35 LEU C C 177.147 0 1 151 35 35 LEU CA C 55.054 0 1 152 35 35 LEU CB C 42.493 0 1 153 35 35 LEU N N 120.48 0 1 154 36 36 ASN H H 8.423 0 1 155 36 36 ASN C C 175.442 0 1 156 36 36 ASN CA C 53.076 0 1 157 36 36 ASN CB C 39.062 0 1 158 36 36 ASN N N 118.003 0 1 159 37 37 GLY H H 8.210 0 1 160 37 37 GLY C C 174.11 0 1 161 37 37 GLY CA C 45.248 0 1 162 37 37 GLY N N 108.05 0 1 163 38 38 GLU H H 8.174 0 1 164 38 38 GLU C C 176.406 0 1 165 38 38 GLU CA C 56.472 0 1 166 38 38 GLU CB C 30.391 0 1 167 38 38 GLU N N 119.792 0 1 168 39 39 ALA H H 8.243 0 1 169 39 39 ALA C C 177.824 0 1 170 39 39 ALA CA C 52.554 0 1 171 39 39 ALA CB C 19.277 0 1 172 39 39 ALA N N 123.706 0 1 173 40 40 SER H H 8.115 0 1 174 40 40 SER C C 174.592 0 1 175 40 40 SER CA C 58.315 0 1 176 40 40 SER CB C 63.844 0 1 177 40 40 SER N N 113.779 0 1 178 41 41 LYS H H 8.156 0 1 179 41 41 LYS C C 176.6 0 1 180 41 41 LYS CA C 56.236 0 1 181 41 41 LYS CB C 33.139 0 1 182 41 41 LYS N N 122.136 0 1 183 42 42 SER H H 8.152 0 1 184 42 42 SER C C 174.586 0 1 185 42 42 SER CA C 58.454 0 1 186 42 42 SER CB C 63.804 0 1 187 42 42 SER N N 115.581 0 1 188 43 43 GLN H H 8.305 0 1 189 43 43 GLN C C 175.762 0 1 190 43 43 GLN CA C 55.799 0 1 191 43 43 GLN CB C 29.52 0 1 192 43 43 GLN N N 121.067 0 1 193 44 44 GLU H H 8.217 0 1 194 44 44 GLU C C 176.248 0 1 195 44 44 GLU CA C 56.536 0 1 196 44 44 GLU CB C 30.424 0 1 197 44 44 GLU N N 120.531 0 1 198 45 45 MET H H 8.193 0 1 199 45 45 MET C C 173.495 0 1 200 45 45 MET CA C 55.23 0 1 201 45 45 MET CB C 32.998 0 1 202 45 45 MET N N 120.183 0 1 203 46 46 VAL H H 7.892 0 1 204 46 46 VAL C C 175.465 0 1 205 46 46 VAL CA C 62.362 0 1 206 46 46 VAL CB C 32.897 0 1 207 46 46 VAL N N 120.15 0 1 208 47 47 HIS H H 8.344 0 1 209 47 47 HIS C C 174.203 0 1 210 47 47 HIS CA C 55.148 0 1 211 47 47 HIS CB C 29.949 0 1 212 47 47 HIS N N 121.691 0 1 213 48 48 LEU H H 8.132 0 1 214 48 48 LEU C C 176.713 0 1 215 48 48 LEU CA C 54.878 0 1 216 48 48 LEU CB C 42.581 0 1 217 48 48 LEU N N 123.364 0 1 218 49 49 VAL H H 8.017 0 1 219 49 49 VAL C C 175.399 0 1 220 49 49 VAL CA C 62.004 0 1 221 49 49 VAL CB C 33.062 0 1 222 49 49 VAL N N 120.179 0 1 223 50 50 ASN H H 8.392 0 1 224 50 50 ASN C C 174.827 0 1 225 50 50 ASN CA C 52.813 0 1 226 50 50 ASN CB C 39.144 0 1 227 50 50 ASN N N 121.822 0 1 228 51 51 LYS H H 8.272 0 1 229 51 51 LYS C C 176.321 0 1 230 51 51 LYS CA C 56.343 0 1 231 51 51 LYS CB C 33.198 0 1 232 51 51 LYS N N 121.588 0 1 233 52 52 GLU H H 8.377 0 1 234 52 52 GLU C C 176.379 0 1 235 52 52 GLU CA C 56.525 0 1 236 52 52 GLU CB C 30.279 0 1 237 52 52 GLU N N 120.736 0 1 238 53 53 SER H H 8.193 0 1 239 53 53 SER C C 174.319 0 1 240 53 53 SER CA C 58.096 0 1 241 53 53 SER CB C 64.041 0 1 242 53 53 SER N N 115.471 0 1 243 54 54 SER H H 8.244 0 1 244 54 54 SER C C 174.111 0 1 245 54 54 SER CA C 58.135 0 1 246 54 54 SER CB C 64.039 0 1 247 54 54 SER N N 116.797 0 1 248 55 55 GLU H H 8.265 0 1 249 55 55 GLU C C 176.08 0 1 250 55 55 GLU CA C 56.187 0 1 251 55 55 GLU CB C 30.61 0 1 252 55 55 GLU N N 121.372 0 1 253 56 56 THR H H 8.125 0 1 254 56 56 THR C C 172.702 0 1 255 56 56 THR CA C 59.362 0 1 256 56 56 THR CB C 69.784 0 1 257 56 56 THR N N 116.22 0 1 258 57 57 PRO C C 176.465 0 1 259 57 57 PRO CA C 63.176 0 1 260 57 57 PRO CB C 32.368 0 1 261 58 58 ASP H H 8.247 0 1 262 58 58 ASP C C 176.115 0 1 263 58 58 ASP CA C 54.356 0 1 264 58 58 ASP CB C 41.215 0 1 265 58 58 ASP N N 118.942 0 1 266 59 59 GLN H H 8.067 0 1 267 59 59 GLN C C 175.357 0 1 268 59 59 GLN CA C 55.8 0 1 269 59 59 GLN CB C 29.529 0 1 270 59 59 GLN N N 118.964 0 1 271 60 60 PHE H H 8.090 0 1 272 60 60 PHE C C 175.369 0 1 273 60 60 PHE CA C 57.482 0 1 274 60 60 PHE CB C 39.549 0 1 275 60 60 PHE N N 119.315 0 1 276 61 61 MET H H 8.021 0 1 277 61 61 MET C C 175.895 0 1 278 61 61 MET CA C 55.229 0 1 279 61 61 MET CB C 33.525 0 1 280 61 61 MET N N 120.629 0 1 281 62 62 THR H H 8.121 0 1 282 62 62 THR C C 174.265 0 1 283 62 62 THR CA C 61.464 0 1 284 62 62 THR CB C 70.281 0 1 285 62 62 THR N N 114.185 0 1 286 63 63 ALA H H 8.342 0 1 287 63 63 ALA C C 177.661 0 1 288 63 63 ALA CA C 52.827 0 1 289 63 63 ALA CB C 19.275 0 1 290 63 63 ALA N N 124.988 0 1 291 64 64 ASP H H 8.175 0 1 292 64 64 ASP C C 176.65 0 1 293 64 64 ASP CA C 54.67 0 1 294 64 64 ASP CB C 41.259 0 1 295 64 64 ASP N N 118.251 0 1 296 65 65 GLU H H 8.264 0 1 297 65 65 GLU C C 177.201 0 1 298 65 65 GLU CA C 57.232 0 1 299 65 65 GLU CB C 30.247 0 1 300 65 65 GLU N N 120.555 0 1 301 66 66 THR H H 8.100 0 1 302 66 66 THR C C 175.019 0 1 303 66 66 THR CA C 63.147 0 1 304 66 66 THR CB C 69.575 0 1 305 66 66 THR N N 113.284 0 1 306 67 67 ARG H H 7.922 0 1 307 67 67 ARG C C 176.018 0 1 308 67 67 ARG CA C 56.529 0 1 309 67 67 ARG CB C 30.731 0 1 310 67 67 ARG N N 121.418 0 1 311 68 68 ASN H H 8.140 0 1 312 68 68 ASN C C 175.258 0 1 313 68 68 ASN CA C 53.233 0 1 314 68 68 ASN CB C 38.774 0 1 315 68 68 ASN N N 117.813 0 1 316 69 69 LEU H H 7.992 0 1 317 69 69 LEU C C 177.243 0 1 318 69 69 LEU CA C 55.266 0 1 319 69 69 LEU CB C 42.31 0 1 320 69 69 LEU N N 121.084 0 1 321 70 70 GLN H H 8.099 0 1 322 70 70 GLN C C 175.488 0 1 323 70 70 GLN CA C 55.749 0 1 324 70 70 GLN CB C 29.511 0 1 325 70 70 GLN N N 118.473 0 1 326 71 71 ASN H H 8.190 0 1 327 71 71 ASN C C 175.034 0 1 328 71 71 ASN CA C 53.106 0 1 329 71 71 ASN CB C 38.973 0 1 330 71 71 ASN N N 118.368 0 1 331 72 72 VAL H H 7.900 0 1 332 72 72 VAL C C 175.468 0 1 333 72 72 VAL CA C 62.276 0 1 334 72 72 VAL CB C 32.958 0 1 335 72 72 VAL N N 118.8 0 1 336 73 73 ASP H H 8.237 0 1 337 73 73 ASP C C 175.89 0 1 338 73 73 ASP CA C 54.179 0 1 339 73 73 ASP CB C 41.251 0 1 340 73 73 ASP N N 122.253 0 1 341 74 74 MET H H 8.079 0 1 342 74 74 MET C C 175.72 0 1 343 74 74 MET CA C 55.204 0 1 344 74 74 MET CB C 32.954 0 1 345 74 74 MET N N 120.179 0 1 346 75 75 LYS H H 8.207 0 1 347 75 75 LYS C C 176.025 0 1 348 75 75 LYS CA C 56.032 0 1 349 75 75 LYS CB C 32.877 0 1 350 75 75 LYS N N 121.555 0 1 351 76 76 ILE H H 8.013 0 1 352 76 76 ILE C C 176.421 0 1 353 76 76 ILE CA C 60.859 0 1 354 76 76 ILE CB C 38.868 0 1 355 76 76 ILE N N 121.247 0 1 356 77 77 GLY H H 8.365 0 1 357 77 77 GLY C C 172.865 0 1 358 77 77 GLY CA C 45.005 0 1 359 77 77 GLY N N 112.713 0 1 360 78 78 VAL H H 7.443 0 1 361 78 78 VAL C C 175.971 0 1 362 78 78 VAL CA C 63.165 0 1 363 78 78 VAL CB C 33.274 0 1 364 78 78 VAL N N 121.606 0 1 stop_ save_