data_27850 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ENDD G5 domain ; _BMRB_accession_number 27850 _BMRB_flat_file_name bmr27850.str _Entry_type original _Submission_date 2019-03-22 _Accession_date 2019-03-22 _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 Eisenmesser Elan Z. . 2 Chi Ying-Chih . . 3 Paukovich Natasia . . 4 Redzic Jasmina S. . 5 Rahkola Jeremy T. . 6 Janoff Edward N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 69 "13C chemical shifts" 213 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-21 update BMRB 'update entry citation' 2019-04-24 original author 'original release' stop_ _Original_release_date 2019-03-22 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Streptococcus pneumoniae G5 domains bind different ligands ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31390088 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paukovich Natasia . . 2 Redzic Jasmina S. . 3 Chi Ying-Chih C. . 4 Rahkola Jeremy T. . 5 Issaian Aaron . . 6 Blue Ashley . . 7 Hansen Kirk C. . 8 Janoff Edward N. . 9 Eisenmesser Elan Z. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 28 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1797 _Page_last 1805 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ENDD G5 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ENDD G5 domain' $ENDD_G5_domain 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_ENDD_G5_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ENDD_G5_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSHSDQQKAPKLEVQEEKVA FHRQEHENAEMLVGEQRVII QGRDGLLRHVFEVDENGQRR LRSTEVIQEAIPEIVEIGTK V ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1502 GLY 2 1503 SER 3 1504 HIS 4 1505 SER 5 1506 ASP 6 1507 GLN 7 1508 GLN 8 1509 LYS 9 1510 ALA 10 1511 PRO 11 1512 LYS 12 1513 LEU 13 1514 GLU 14 1515 VAL 15 1516 GLN 16 1517 GLU 17 1518 GLU 18 1519 LYS 19 1520 VAL 20 1521 ALA 21 1522 PHE 22 1523 HIS 23 1524 ARG 24 1525 GLN 25 1526 GLU 26 1527 HIS 27 1528 GLU 28 1529 ASN 29 1530 ALA 30 1531 GLU 31 1532 MET 32 1533 LEU 33 1534 VAL 34 1535 GLY 35 1536 GLU 36 1537 GLN 37 1538 ARG 38 1539 VAL 39 1540 ILE 40 1541 ILE 41 1542 GLN 42 1543 GLY 43 1544 ARG 44 1545 ASP 45 1546 GLY 46 1547 LEU 47 1548 LEU 48 1549 ARG 49 1550 HIS 50 1551 VAL 51 1552 PHE 52 1553 GLU 53 1554 VAL 54 1555 ASP 55 1556 GLU 56 1557 ASN 57 1558 GLY 58 1559 GLN 59 1560 ARG 60 1561 ARG 61 1562 LEU 62 1563 ARG 63 1564 SER 64 1565 THR 65 1566 GLU 66 1567 VAL 67 1568 ILE 68 1569 GLN 69 1570 GLU 70 1571 ALA 71 1572 ILE 72 1573 PRO 73 1574 GLU 74 1575 ILE 75 1576 VAL 76 1577 GLU 77 1578 ILE 78 1579 GLY 79 1580 THR 80 1581 LYS 81 1582 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 $ENDD_G5_domain 'Streptococcus pneumoniae' 1313 Bacteria . Streptococcus pneumoniae 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 $ENDD_G5_domain 'recombinant technology' . Escherichia coli . pj401 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 $ENDD_G5_domain 0.420 mM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 glucose C 13 'methyl carbon' ppm 0.2 internal indirect . . . 1 water H 1 protons ppm 4.78 internal indirect . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm 0.0 internal indirect . . . 1 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' 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 'ENDD G5 domain' _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 1508 7 GLN CA C 55.936 0.000 1 2 1508 7 GLN CB C 29.338 0.000 1 3 1508 7 GLN CG C 33.819 0.000 1 4 1509 8 LYS H H 8.313 0.000 1 5 1509 8 LYS CA C 55.917 0.000 1 6 1509 8 LYS CB C 33.132 0.000 1 7 1509 8 LYS CG C 24.779 0.000 1 8 1509 8 LYS CD C 29.038 0.000 1 9 1509 8 LYS CE C 42.101 0.000 1 10 1509 8 LYS N N 122.938 0.000 1 11 1510 9 ALA H H 8.297 0.000 1 12 1510 9 ALA CA C 50.401 0.000 1 13 1510 9 ALA CB C 18.159 0.000 1 14 1510 9 ALA N N 126.850 0.000 1 15 1511 10 PRO CA C 62.732 0.000 1 16 1511 10 PRO CB C 32.274 0.000 1 17 1511 10 PRO CG C 27.171 0.000 1 18 1511 10 PRO CD C 50.373 0.000 1 19 1512 11 LYS H H 8.387 0.000 1 20 1512 11 LYS CA C 55.886 0.000 1 21 1512 11 LYS CB C 33.373 0.000 1 22 1512 11 LYS CG C 25.031 0.000 1 23 1512 11 LYS CD C 29.118 0.000 1 24 1512 11 LYS CE C 42.224 0.000 1 25 1512 11 LYS N N 122.346 0.000 1 26 1513 12 LEU H H 8.233 0.000 1 27 1513 12 LEU CA C 53.299 0.000 1 28 1513 12 LEU CB C 43.754 0.000 1 29 1513 12 LEU CG C 25.408 0.000 1 30 1513 12 LEU CD1 C 23.241 0.000 1 31 1513 12 LEU N N 122.706 0.000 1 32 1514 13 GLU H H 9.204 0.000 1 33 1514 13 GLU CA C 55.051 0.000 1 34 1514 13 GLU CB C 33.835 0.000 1 35 1514 13 GLU N N 123.376 0.000 1 36 1515 14 VAL H H 8.658 0.000 1 37 1515 14 VAL CA C 60.960 0.000 1 38 1515 14 VAL CB C 33.681 0.000 1 39 1515 14 VAL CG1 C 21.443 0.000 1 40 1515 14 VAL CG2 C 21.443 0.000 1 41 1515 14 VAL N N 124.142 0.000 1 42 1516 15 GLN H H 9.353 0.000 1 43 1516 15 GLN CA C 54.560 0.000 1 44 1516 15 GLN CB C 33.571 0.000 1 45 1516 15 GLN N N 126.987 0.000 1 46 1517 16 GLU CA C 54.617 0.000 1 47 1517 16 GLU CB C 33.384 0.000 1 48 1518 17 GLU H H 8.898 0.000 1 49 1518 17 GLU CA C 54.656 0.000 1 50 1518 17 GLU CB C 34.114 0.000 1 51 1518 17 GLU CG C 35.639 0.000 1 52 1518 17 GLU N N 124.337 0.000 1 53 1519 18 LYS H H 8.774 0.000 1 54 1519 18 LYS CA C 56.109 0.000 1 55 1519 18 LYS CB C 33.186 0.000 1 56 1519 18 LYS CG C 24.964 0.000 1 57 1519 18 LYS CD C 29.168 0.000 1 58 1519 18 LYS CE C 41.750 0.000 1 59 1519 18 LYS N N 127.319 0.000 1 60 1520 19 VAL H H 7.911 0.000 1 61 1520 19 VAL CA C 60.607 0.000 1 62 1520 19 VAL CB C 33.736 0.000 1 63 1520 19 VAL CG1 C 20.536 0.000 1 64 1520 19 VAL CG2 C 20.536 0.000 1 65 1520 19 VAL N N 125.488 0.000 1 66 1521 20 ALA H H 8.467 0.000 1 67 1521 20 ALA CA C 52.000 0.000 1 68 1521 20 ALA CB C 18.438 0.000 1 69 1521 20 ALA N N 129.971 0.000 1 70 1522 21 PHE H H 7.548 0.000 1 71 1522 21 PHE CA C 56.756 0.000 1 72 1522 21 PHE CB C 39.619 0.000 1 73 1522 21 PHE N N 118.680 0.000 1 74 1523 22 HIS H H 8.521 0.000 1 75 1523 22 HIS CA C 54.202 0.000 1 76 1523 22 HIS CB C 31.266 0.000 1 77 1523 22 HIS N N 119.545 0.000 1 78 1524 23 ARG H H 8.560 0.000 1 79 1524 23 ARG CA C 55.226 0.000 1 80 1524 23 ARG CB C 32.697 0.000 1 81 1524 23 ARG CG C 28.520 0.000 1 82 1524 23 ARG CD C 44.006 0.000 1 83 1524 23 ARG N N 122.551 0.000 1 84 1525 24 GLN H H 9.430 0.000 1 85 1525 24 GLN CA C 54.415 0.000 1 86 1525 24 GLN CB C 30.962 0.000 1 87 1525 24 GLN N N 126.892 0.000 1 88 1526 25 GLU H H 8.598 0.000 1 89 1526 25 GLU CA C 54.719 0.000 1 90 1526 25 GLU CB C 31.456 0.000 1 91 1526 25 GLU CG C 36.485 0.000 1 92 1526 25 GLU N N 123.057 0.000 1 93 1527 26 HIS H H 9.085 0.000 1 94 1527 26 HIS CA C 53.421 0.000 1 95 1527 26 HIS CB C 31.650 0.000 1 96 1527 26 HIS N N 121.794 0.000 1 97 1528 27 GLU H H 8.898 0.000 1 98 1528 27 GLU CA C 57.202 0.000 1 99 1528 27 GLU CB C 30.444 0.000 1 100 1528 27 GLU CG C 36.749 0.000 1 101 1528 27 GLU N N 124.005 0.000 1 102 1529 28 ASN H H 8.854 0.000 1 103 1529 28 ASN CA C 52.444 0.000 1 104 1529 28 ASN CB C 40.172 0.000 1 105 1529 28 ASN N N 121.645 0.000 1 106 1530 29 ALA H H 8.727 0.000 1 107 1530 29 ALA CA C 52.977 0.000 1 108 1530 29 ALA CB C 18.554 0.000 1 109 1530 29 ALA N N 127.715 0.000 1 110 1531 30 GLU H H 8.515 0.000 1 111 1531 30 GLU CA C 55.834 0.000 1 112 1531 30 GLU CB C 30.011 0.000 1 113 1531 30 GLU CG C 36.360 0.000 1 114 1531 30 GLU N N 114.703 0.000 1 115 1532 31 MET H H 7.366 0.000 1 116 1532 31 MET CA C 54.308 0.000 1 117 1532 31 MET CB C 36.938 0.000 1 118 1532 31 MET N N 120.704 0.000 1 119 1533 32 LEU CA C 54.915 0.000 1 120 1533 32 LEU CB C 42.573 0.000 1 121 1534 33 VAL H H 7.969 0.000 1 122 1534 33 VAL CA C 64.099 0.000 1 123 1534 33 VAL CB C 31.579 0.000 1 124 1534 33 VAL CG1 C 21.850 0.000 1 125 1534 33 VAL CG2 C 21.220 0.000 1 126 1534 33 VAL N N 120.122 0.000 1 127 1535 34 GLY H H 8.906 0.000 1 128 1535 34 GLY CA C 44.623 0.000 1 129 1535 34 GLY N N 116.340 0.000 1 130 1536 35 GLU H H 8.315 0.000 1 131 1536 35 GLU CA C 55.896 0.000 1 132 1536 35 GLU CB C 31.111 0.000 1 133 1536 35 GLU CG C 37.110 0.000 1 134 1536 35 GLU N N 121.132 0.000 1 135 1537 36 GLN H H 8.472 0.000 1 136 1537 36 GLN CA C 54.229 0.000 1 137 1537 36 GLN CB C 32.684 0.000 1 138 1537 36 GLN N N 119.397 0.000 1 139 1538 37 ARG H H 8.927 0.000 1 140 1538 37 ARG CA C 55.355 0.000 1 141 1538 37 ARG CB C 33.896 0.000 1 142 1538 37 ARG CG C 26.981 0.000 1 143 1538 37 ARG CD C 43.648 0.000 1 144 1538 37 ARG N N 120.722 0.000 1 145 1539 38 VAL H H 9.015 0.000 1 146 1539 38 VAL CA C 63.721 0.000 1 147 1539 38 VAL CB C 31.353 0.000 1 148 1539 38 VAL CG1 C 21.346 0.000 1 149 1539 38 VAL CG2 C 21.346 0.000 1 150 1539 38 VAL N N 127.267 0.000 1 151 1540 39 ILE H H 9.033 0.000 1 152 1540 39 ILE CA C 61.888 0.000 1 153 1540 39 ILE CB C 37.880 0.000 1 154 1540 39 ILE CG1 C 27.215 0.000 1 155 1540 39 ILE CG2 C 17.238 0.000 1 156 1540 39 ILE CD1 C 11.185 0.000 1 157 1540 39 ILE N N 129.314 0.000 1 158 1541 40 ILE H H 7.379 0.000 1 159 1541 40 ILE CA C 60.021 0.000 1 160 1541 40 ILE CB C 41.148 0.000 1 161 1541 40 ILE CG1 C 27.345 0.000 1 162 1541 40 ILE CG2 C 16.822 0.000 1 163 1541 40 ILE CD1 C 12.141 0.000 1 164 1541 40 ILE N N 120.158 0.000 1 165 1542 41 GLN H H 8.250 0.000 1 166 1542 41 GLN CA C 55.640 0.000 1 167 1542 41 GLN CB C 29.061 0.000 1 168 1542 41 GLN CG C 33.810 0.000 1 169 1542 41 GLN N N 125.459 0.000 1 170 1543 42 GLY H H 8.815 0.000 1 171 1543 42 GLY CA C 43.294 0.000 1 172 1543 42 GLY N N 110.659 0.000 1 173 1544 43 ARG H H 8.650 0.000 1 174 1544 43 ARG CA C 55.514 0.000 1 175 1544 43 ARG CB C 34.334 0.000 1 176 1544 43 ARG N N 121.941 0.000 1 177 1545 44 ASP H H 9.012 0.000 1 178 1545 44 ASP CA C 55.690 0.000 1 179 1545 44 ASP CB C 41.739 0.000 1 180 1545 44 ASP N N 127.417 0.000 1 181 1546 45 GLY H H 9.540 0.000 1 182 1546 45 GLY CA C 43.269 0.000 1 183 1546 45 GLY N N 107.455 0.000 1 184 1547 46 LEU H H 9.193 0.000 1 185 1547 46 LEU CA C 55.254 0.000 1 186 1547 46 LEU CB C 47.050 0.000 1 187 1547 46 LEU N N 122.781 0.000 1 188 1548 47 LEU H H 9.162 0.000 1 189 1548 47 LEU CA C 52.699 0.000 1 190 1548 47 LEU CB C 45.211 0.000 1 191 1548 47 LEU CG C 24.987 0.000 1 192 1548 47 LEU N N 126.562 0.000 1 193 1549 48 ARG H H 8.998 0.000 1 194 1549 48 ARG CA C 55.177 0.000 1 195 1549 48 ARG CB C 33.548 0.000 1 196 1549 48 ARG CG C 28.167 0.000 1 197 1549 48 ARG CD C 43.476 0.000 1 198 1549 48 ARG N N 121.013 0.000 1 199 1550 49 HIS H H 9.277 0.000 1 200 1550 49 HIS CA C 54.173 0.000 1 201 1550 49 HIS CB C 33.687 0.000 1 202 1550 49 HIS N N 128.220 0.000 1 203 1551 50 VAL H H 8.746 0.000 1 204 1551 50 VAL CA C 61.805 0.000 1 205 1551 50 VAL CB C 32.905 0.000 1 206 1551 50 VAL CG1 C 22.238 0.000 1 207 1551 50 VAL CG2 C 21.045 0.000 1 208 1551 50 VAL N N 121.758 0.000 1 209 1552 51 PHE H H 9.614 0.000 1 210 1552 51 PHE CA C 56.484 0.000 1 211 1552 51 PHE CB C 42.093 0.000 1 212 1552 51 PHE N N 125.570 0.000 1 213 1553 52 GLU H H 9.182 0.000 1 214 1553 52 GLU CA C 54.498 0.000 1 215 1553 52 GLU CB C 32.295 0.000 1 216 1553 52 GLU N N 120.093 0.000 1 217 1554 53 VAL H H 8.894 0.000 1 218 1554 53 VAL CA C 61.325 0.000 1 219 1554 53 VAL CB C 33.046 0.000 1 220 1554 53 VAL CG1 C 20.879 0.000 1 221 1554 53 VAL CG2 C 20.879 0.000 1 222 1554 53 VAL N N 125.378 0.000 1 223 1555 54 ASP H H 8.523 0.000 1 224 1555 54 ASP CA C 52.871 0.000 1 225 1555 54 ASP CB C 41.709 0.000 1 226 1555 54 ASP N N 127.661 0.000 1 227 1556 55 GLU H H 9.100 0.000 1 228 1556 55 GLU CA C 58.710 0.000 1 229 1556 55 GLU CB C 28.857 0.000 1 230 1556 55 GLU N N 118.384 0.000 1 231 1557 56 ASN H H 8.273 0.000 1 232 1557 56 ASN CA C 52.689 0.000 1 233 1557 56 ASN CB C 39.148 0.000 1 234 1557 56 ASN N N 116.816 0.000 1 235 1558 57 GLY H H 8.139 0.000 1 236 1558 57 GLY CA C 45.372 0.000 1 237 1558 57 GLY N N 108.866 0.000 1 238 1559 58 GLN CA C 55.725 0.000 1 239 1559 58 GLN CB C 28.746 0.000 1 240 1560 59 ARG H H 8.590 0.000 1 241 1560 59 ARG CA C 55.290 0.000 1 242 1560 59 ARG CB C 32.905 0.000 1 243 1560 59 ARG N N 124.056 0.000 1 244 1561 60 ARG H H 9.102 0.000 1 245 1561 60 ARG CA C 54.504 0.000 1 246 1561 60 ARG CB C 33.302 0.000 1 247 1561 60 ARG N N 123.592 0.000 1 248 1562 61 LEU H H 8.992 0.000 1 249 1562 61 LEU CA C 56.461 0.000 1 250 1562 61 LEU CB C 41.834 0.000 1 251 1562 61 LEU CG C 25.757 0.000 1 252 1562 61 LEU CD1 C 22.728 0.000 1 253 1562 61 LEU N N 128.221 0.000 1 254 1563 62 ARG H H 9.527 0.000 1 255 1563 62 ARG CA C 56.779 0.000 1 256 1563 62 ARG CB C 31.987 0.000 1 257 1563 62 ARG CG C 26.837 0.000 1 258 1563 62 ARG CD C 43.484 0.000 1 259 1563 62 ARG N N 128.887 0.000 1 260 1564 63 SER H H 7.695 0.000 1 261 1564 63 SER CA C 57.698 0.000 1 262 1564 63 SER CB C 65.232 0.000 1 263 1564 63 SER N N 110.415 0.000 1 264 1565 64 THR H H 8.385 0.000 1 265 1565 64 THR CA C 62.655 0.000 1 266 1565 64 THR CB C 71.871 0.000 1 267 1565 64 THR N N 117.695 0.000 1 268 1566 65 GLU H H 8.962 0.000 1 269 1566 65 GLU CA C 54.006 0.000 1 270 1566 65 GLU CB C 33.466 0.000 1 271 1566 65 GLU N N 127.050 0.000 1 272 1567 66 VAL H H 8.970 0.000 1 273 1567 66 VAL CA C 62.954 0.000 1 274 1567 66 VAL CB C 31.030 0.000 1 275 1567 66 VAL CG1 C 20.604 0.000 1 276 1567 66 VAL CG2 C 20.604 0.000 1 277 1567 66 VAL N N 125.735 0.000 1 278 1568 67 ILE H H 8.396 0.000 1 279 1568 67 ILE CA C 61.214 0.000 1 280 1568 67 ILE CB C 36.662 0.000 1 281 1568 67 ILE CG1 C 27.311 0.000 1 282 1568 67 ILE CG2 C 17.344 0.000 1 283 1568 67 ILE CD1 C 10.354 0.000 1 284 1568 67 ILE N N 129.738 0.000 1 285 1569 68 GLN H H 7.918 0.000 1 286 1569 68 GLN CA C 54.717 0.000 1 287 1569 68 GLN CB C 32.591 0.000 1 288 1569 68 GLN N N 117.139 0.000 1 289 1570 69 GLU H H 9.016 0.000 1 290 1570 69 GLU CA C 56.151 0.000 1 291 1570 69 GLU CB C 30.173 0.000 1 292 1570 69 GLU CG C 36.104 0.000 1 293 1570 69 GLU N N 127.038 0.000 1 294 1571 70 ALA H H 8.837 0.000 1 295 1571 70 ALA CA C 52.212 0.000 1 296 1571 70 ALA CB C 18.941 0.000 1 297 1571 70 ALA N N 127.008 0.000 1 298 1572 71 ILE H H 9.215 0.000 1 299 1572 71 ILE CA C 57.689 0.000 1 300 1572 71 ILE CB C 40.185 0.000 1 301 1572 71 ILE N N 126.391 0.000 1 302 1573 72 PRO CA C 62.622 0.000 1 303 1573 72 PRO CB C 31.923 0.000 1 304 1574 73 GLU H H 7.936 0.000 1 305 1574 73 GLU CA C 54.707 0.000 1 306 1574 73 GLU CB C 33.114 0.000 1 307 1574 73 GLU CG C 37.134 0.000 1 308 1574 73 GLU N N 120.506 0.000 1 309 1575 74 ILE H H 8.512 0.000 1 310 1575 74 ILE CA C 59.591 0.000 1 311 1575 74 ILE CB C 37.915 0.000 1 312 1575 74 ILE CG1 C 26.665 0.000 1 313 1575 74 ILE CG2 C 16.774 0.000 1 314 1575 74 ILE CD1 C 11.912 0.000 1 315 1575 74 ILE N N 127.458 0.000 1 316 1576 75 VAL H H 8.524 0.000 1 317 1576 75 VAL CA C 59.583 0.000 1 318 1576 75 VAL CB C 35.892 0.000 1 319 1576 75 VAL CG1 C 21.522 0.000 1 320 1576 75 VAL CG2 C 21.522 0.000 1 321 1576 75 VAL N N 126.807 0.000 1 322 1577 76 GLU H H 9.071 0.000 1 323 1577 76 GLU CA C 54.144 0.000 1 324 1577 76 GLU CB C 32.457 0.000 1 325 1577 76 GLU CG C 37.002 0.000 1 326 1577 76 GLU N N 125.252 0.000 1 327 1578 77 ILE H H 8.541 0.000 1 328 1578 77 ILE CA C 57.980 0.000 1 329 1578 77 ILE CB C 40.485 0.000 1 330 1578 77 ILE CG1 C 26.613 0.000 1 331 1578 77 ILE CG2 C 17.979 0.000 1 332 1578 77 ILE CD1 C 13.119 0.000 1 333 1578 77 ILE N N 119.057 0.000 1 334 1579 78 GLY H H 8.434 0.000 1 335 1579 78 GLY CA C 47.371 0.000 1 336 1579 78 GLY N N 110.803 0.000 1 337 1580 79 THR H H 7.451 0.000 1 338 1580 79 THR CA C 60.596 0.000 1 339 1580 79 THR CB C 69.857 0.000 1 340 1580 79 THR N N 110.037 0.000 1 341 1581 80 LYS H H 9.064 0.000 1 342 1581 80 LYS CA C 58.546 0.000 1 343 1581 80 LYS CB C 33.008 0.000 1 344 1581 80 LYS CG C 25.148 0.000 1 345 1581 80 LYS CD C 29.649 0.000 1 346 1581 80 LYS CE C 42.198 0.000 1 347 1581 80 LYS N N 126.926 0.000 1 348 1582 81 VAL H H 7.751 0.000 1 349 1582 81 VAL CA C 63.657 0.000 1 350 1582 81 VAL CB C 33.112 0.000 1 351 1582 81 VAL N N 129.729 0.000 1 stop_ save_