data_25863 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Adenylate cyclase toxin RTX domain from Bordetella pertussis ; _BMRB_accession_number 25863 _BMRB_flat_file_name bmr25863.str _Entry_type original _Submission_date 2015-10-27 _Accession_date 2015-11-05 _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 Veverka Vaclav . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 241 "13C chemical shifts" 717 "15N chemical shifts" 241 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-15 original BMRB . stop_ _Original_release_date 2016-06-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27058787 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bumba Ladislav . . 2 Masin Jiri . . 3 Macek Pavel . . 4 Wald Tomas . . 5 Motlova Lucia . . 6 Bibova Ilona . . 7 Klimova Nela . . 8 Bednarova Lucie . . 9 Veverka Vaclav . . 10 Kachala Michael . . 11 Svergun Dmitri I. . 12 Barinka Cyril . . 13 Sebo Peter . . stop_ _Journal_abbreviation 'Mol. Cell.' _Journal_volume 62 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 47 _Page_last 62 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ACT RTX domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ACT RTX domain' $RTX_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_RTX_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RTX_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GSARDDVLIGDAGANVLNGL AGNDVLSGGAGDDVLLGDEG SDLLSGDAGNDDLFGGQGDD TYLFGVGYGHDTIYESGGGH DTIRINAGADQLWFARQGND LEIRILGTDDALTVHDWYRD ADHRVEIIHAANQAVDQAGI EKLVEAMAQYPDP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 1531 ALA 4 1532 ARG 5 1533 ASP 6 1534 ASP 7 1535 VAL 8 1536 LEU 9 1537 ILE 10 1538 GLY 11 1539 ASP 12 1540 ALA 13 1541 GLY 14 1542 ALA 15 1543 ASN 16 1544 VAL 17 1545 LEU 18 1546 ASN 19 1547 GLY 20 1548 LEU 21 1549 ALA 22 1550 GLY 23 1551 ASN 24 1552 ASP 25 1553 VAL 26 1554 LEU 27 1555 SER 28 1556 GLY 29 1557 GLY 30 1558 ALA 31 1559 GLY 32 1560 ASP 33 1561 ASP 34 1562 VAL 35 1563 LEU 36 1564 LEU 37 1565 GLY 38 1566 ASP 39 1567 GLU 40 1568 GLY 41 1569 SER 42 1570 ASP 43 1571 LEU 44 1572 LEU 45 1573 SER 46 1574 GLY 47 1575 ASP 48 1576 ALA 49 1577 GLY 50 1578 ASN 51 1579 ASP 52 1580 ASP 53 1581 LEU 54 1582 PHE 55 1583 GLY 56 1584 GLY 57 1585 GLN 58 1586 GLY 59 1587 ASP 60 1588 ASP 61 1589 THR 62 1590 TYR 63 1591 LEU 64 1592 PHE 65 1593 GLY 66 1594 VAL 67 1595 GLY 68 1596 TYR 69 1597 GLY 70 1598 HIS 71 1599 ASP 72 1600 THR 73 1601 ILE 74 1602 TYR 75 1603 GLU 76 1604 SER 77 1605 GLY 78 1606 GLY 79 1607 GLY 80 1608 HIS 81 1609 ASP 82 1610 THR 83 1611 ILE 84 1612 ARG 85 1613 ILE 86 1614 ASN 87 1615 ALA 88 1616 GLY 89 1617 ALA 90 1618 ASP 91 1619 GLN 92 1620 LEU 93 1621 TRP 94 1622 PHE 95 1623 ALA 96 1624 ARG 97 1625 GLN 98 1626 GLY 99 1627 ASN 100 1628 ASP 101 1629 LEU 102 1630 GLU 103 1631 ILE 104 1632 ARG 105 1633 ILE 106 1634 LEU 107 1635 GLY 108 1636 THR 109 1637 ASP 110 1638 ASP 111 1639 ALA 112 1640 LEU 113 1641 THR 114 1642 VAL 115 1643 HIS 116 1644 ASP 117 1645 TRP 118 1646 TYR 119 1647 ARG 120 1648 ASP 121 1649 ALA 122 1650 ASP 123 1651 HIS 124 1652 ARG 125 1653 VAL 126 1654 GLU 127 1655 ILE 128 1656 ILE 129 1657 HIS 130 1658 ALA 131 1659 ALA 132 1660 ASN 133 1661 GLN 134 1662 ALA 135 1663 VAL 136 1664 ASP 137 1665 GLN 138 1666 ALA 139 1667 GLY 140 1668 ILE 141 1669 GLU 142 1670 LYS 143 1671 LEU 144 1672 VAL 145 1673 GLU 146 1674 ALA 147 1675 MET 148 1676 ALA 149 1677 GLN 150 1678 TYR 151 1679 PRO 152 1680 ASP 153 1681 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 $RTX_domain 'Bordetella pertussis' 520 Bacteria . Bordetella pertussis 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 $RTX_domain 'recombinant technology' . Escherichia coli . n/a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_Ca+ _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RTX_domain 0.5 mM '[U-13C; U-15N]' TRIS 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' stop_ save_ save_sample_Ca- _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RTX_domain 0.5 mM '[U-13C; U-15N]' TRIS 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % '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_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 850 _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_Ca+ save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Ca- save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_Ca+ save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_Ca- save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_Ca+ save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_Ca- save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_Ca+ save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_Ca- 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 8 . pH pressure 1 . atm temperature 303 . 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_Ca+ _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_Ca+ $sample_Ca- stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ACT RTX 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 1531 3 ALA C C 177.903 0.150 1 2 1531 3 ALA CA C 53.259 0.150 1 3 1531 3 ALA CB C 19.087 0.150 1 4 1532 4 ARG H H 7.912 0.015 1 5 1532 4 ARG C C 175.497 0.150 1 6 1532 4 ARG CA C 55.569 0.150 1 7 1532 4 ARG CB C 29.480 0.150 1 8 1532 4 ARG N N 117.266 0.150 1 9 1533 5 ASP H H 8.082 0.015 1 10 1533 5 ASP C C 174.161 0.150 1 11 1533 5 ASP CA C 56.039 0.150 1 12 1533 5 ASP CB C 38.058 0.150 1 13 1533 5 ASP N N 122.912 0.150 1 14 1535 7 VAL C C 175.140 0.150 1 15 1535 7 VAL CA C 62.856 0.150 1 16 1535 7 VAL CB C 32.227 0.150 1 17 1536 8 LEU H H 9.353 0.015 1 18 1536 8 LEU C C 173.587 0.150 1 19 1536 8 LEU CA C 53.635 0.150 1 20 1536 8 LEU CB C 43.489 0.150 1 21 1536 8 LEU N N 128.799 0.150 1 22 1537 9 ILE H H 8.382 0.015 1 23 1537 9 ILE C C 177.369 0.150 1 24 1537 9 ILE CA C 59.143 0.150 1 25 1537 9 ILE CB C 39.055 0.150 1 26 1537 9 ILE N N 123.917 0.150 1 27 1538 10 GLY H H 9.151 0.015 1 28 1538 10 GLY C C 172.269 0.150 1 29 1538 10 GLY CA C 43.622 0.150 1 30 1538 10 GLY N N 114.088 0.150 1 31 1539 11 ASP H H 7.893 0.015 1 32 1539 11 ASP C C 176.949 0.150 1 33 1539 11 ASP CA C 51.986 0.150 1 34 1539 11 ASP CB C 42.300 0.150 1 35 1539 11 ASP N N 118.003 0.150 1 36 1540 12 ALA C C 176.663 0.150 1 37 1540 12 ALA CA C 54.260 0.150 1 38 1540 12 ALA CB C 18.147 0.150 1 39 1541 13 GLY H H 8.395 0.015 1 40 1541 13 GLY C C 173.380 0.150 1 41 1541 13 GLY CA C 43.338 0.150 1 42 1541 13 GLY N N 104.389 0.150 1 43 1542 14 ALA H H 8.698 0.015 1 44 1542 14 ALA C C 176.546 0.150 1 45 1542 14 ALA CA C 52.956 0.150 1 46 1542 14 ALA CB C 18.447 0.150 1 47 1542 14 ALA N N 126.600 0.150 1 48 1543 15 ASN H H 9.693 0.015 1 49 1543 15 ASN C C 173.731 0.150 1 50 1543 15 ASN CA C 53.102 0.150 1 51 1543 15 ASN CB C 43.504 0.150 1 52 1543 15 ASN N N 124.192 0.150 1 53 1544 16 VAL H H 8.608 0.015 1 54 1544 16 VAL C C 175.714 0.150 1 55 1544 16 VAL CA C 62.026 0.150 1 56 1544 16 VAL CB C 32.255 0.150 1 57 1544 16 VAL N N 123.768 0.150 1 58 1545 17 LEU H H 8.762 0.015 1 59 1545 17 LEU C C 173.597 0.150 1 60 1545 17 LEU CA C 53.089 0.150 1 61 1545 17 LEU CB C 44.900 0.150 1 62 1545 17 LEU N N 127.081 0.150 1 63 1546 18 ASN H H 8.695 0.015 1 64 1546 18 ASN C C 175.185 0.150 1 65 1546 18 ASN CA C 51.241 0.150 1 66 1546 18 ASN CB C 40.312 0.150 1 67 1546 18 ASN N N 121.313 0.150 1 68 1547 19 GLY H H 9.506 0.015 1 69 1547 19 GLY CA C 46.785 0.150 1 70 1547 19 GLY N N 109.360 0.150 1 71 1548 20 LEU C C 175.645 0.150 1 72 1548 20 LEU CA C 56.414 0.150 1 73 1548 20 LEU CB C 38.897 0.150 1 74 1549 21 ALA H H 7.867 0.015 1 75 1549 21 ALA C C 175.950 0.150 1 76 1549 21 ALA CA C 53.298 0.150 1 77 1549 21 ALA CB C 18.711 0.150 1 78 1549 21 ALA N N 123.910 0.150 1 79 1550 22 GLY H H 8.950 0.015 1 80 1550 22 GLY C C 172.687 0.150 1 81 1550 22 GLY CA C 43.530 0.150 1 82 1550 22 GLY N N 110.811 0.150 1 83 1551 23 ASN H H 9.342 0.015 1 84 1551 23 ASN C C 173.070 0.150 1 85 1551 23 ASN CA C 52.931 0.150 1 86 1551 23 ASN CB C 36.880 0.150 1 87 1551 23 ASN N N 125.404 0.150 1 88 1552 24 ASP H H 9.096 0.015 1 89 1552 24 ASP C C 174.734 0.150 1 90 1552 24 ASP CA C 54.310 0.150 1 91 1552 24 ASP CB C 44.794 0.150 1 92 1552 24 ASP N N 122.481 0.150 1 93 1553 25 VAL H H 9.005 0.015 1 94 1553 25 VAL C C 174.127 0.150 1 95 1553 25 VAL CA C 62.397 0.150 1 96 1553 25 VAL CB C 34.268 0.150 1 97 1553 25 VAL N N 123.575 0.150 1 98 1554 26 LEU H H 9.272 0.015 1 99 1554 26 LEU C C 174.923 0.150 1 100 1554 26 LEU CA C 54.232 0.150 1 101 1554 26 LEU CB C 45.418 0.150 1 102 1554 26 LEU N N 126.690 0.150 1 103 1555 27 SER H H 8.615 0.015 1 104 1555 27 SER C C 175.161 0.150 1 105 1555 27 SER CA C 55.722 0.150 1 106 1555 27 SER CB C 64.937 0.150 1 107 1555 27 SER N N 119.573 0.150 1 108 1556 28 GLY H H 9.029 0.015 1 109 1556 28 GLY C C 175.063 0.150 1 110 1556 28 GLY CA C 47.487 0.150 1 111 1556 28 GLY N N 110.284 0.150 1 112 1557 29 GLY H H 10.664 0.015 1 113 1557 29 GLY C C 173.533 0.150 1 114 1557 29 GLY CA C 44.375 0.150 1 115 1557 29 GLY N N 115.107 0.150 1 116 1558 30 ALA H H 9.166 0.015 1 117 1558 30 ALA C C 175.105 0.150 1 118 1558 30 ALA CA C 52.559 0.150 1 119 1558 30 ALA CB C 17.830 0.150 1 120 1558 30 ALA N N 125.579 0.150 1 121 1559 31 GLY H H 8.968 0.015 1 122 1559 31 GLY C C 172.559 0.150 1 123 1559 31 GLY CA C 43.938 0.150 1 124 1559 31 GLY N N 109.867 0.150 1 125 1560 32 ASP H H 8.905 0.015 1 126 1560 32 ASP C C 173.792 0.150 1 127 1560 32 ASP CA C 54.853 0.150 1 128 1560 32 ASP CB C 39.373 0.150 1 129 1560 32 ASP N N 126.363 0.150 1 130 1561 33 ASP H H 9.272 0.015 1 131 1561 33 ASP C C 174.712 0.150 1 132 1561 33 ASP CA C 53.996 0.150 1 133 1561 33 ASP CB C 45.236 0.150 1 134 1561 33 ASP N N 122.969 0.150 1 135 1562 34 VAL H H 8.908 0.015 1 136 1562 34 VAL C C 174.054 0.150 1 137 1562 34 VAL CA C 62.545 0.150 1 138 1562 34 VAL CB C 34.371 0.150 1 139 1562 34 VAL N N 121.391 0.150 1 140 1563 35 LEU C C 174.273 0.150 1 141 1563 35 LEU CA C 54.023 0.150 1 142 1563 35 LEU CB C 44.156 0.150 1 143 1564 36 LEU H H 9.066 0.015 1 144 1564 36 LEU C C 175.464 0.150 1 145 1564 36 LEU CA C 54.173 0.150 1 146 1564 36 LEU CB C 42.350 0.150 1 147 1564 36 LEU N N 124.223 0.150 1 148 1565 37 GLY H H 9.438 0.015 1 149 1565 37 GLY CA C 46.734 0.150 1 150 1565 37 GLY N N 108.924 0.150 1 151 1568 40 GLY C C 173.969 0.150 1 152 1568 40 GLY CA C 43.698 0.150 1 153 1569 41 SER H H 8.814 0.015 1 154 1569 41 SER CA C 56.965 0.150 1 155 1569 41 SER CB C 62.801 0.150 1 156 1569 41 SER N N 120.157 0.150 1 157 1570 42 ASP C C 174.492 0.150 1 158 1570 42 ASP CA C 54.195 0.150 1 159 1570 42 ASP CB C 44.515 0.150 1 160 1571 43 LEU H H 9.461 0.015 1 161 1571 43 LEU C C 174.930 0.150 1 162 1571 43 LEU CA C 54.113 0.150 1 163 1571 43 LEU CB C 44.412 0.150 1 164 1571 43 LEU N N 122.918 0.150 1 165 1572 44 LEU H H 9.317 0.015 1 166 1572 44 LEU C C 174.918 0.150 1 167 1572 44 LEU CA C 55.947 0.150 1 168 1572 44 LEU CB C 45.377 0.150 1 169 1572 44 LEU N N 126.556 0.150 1 170 1573 45 SER H H 8.562 0.015 1 171 1573 45 SER C C 174.844 0.150 1 172 1573 45 SER CA C 56.974 0.150 1 173 1573 45 SER CB C 64.730 0.150 1 174 1573 45 SER N N 114.057 0.150 1 175 1574 46 GLY H H 10.750 0.015 1 176 1574 46 GLY C C 173.798 0.150 1 177 1574 46 GLY CA C 47.103 0.150 1 178 1574 46 GLY N N 117.022 0.150 1 179 1575 47 ASP H H 7.246 0.015 1 180 1575 47 ASP CA C 55.228 0.150 1 181 1575 47 ASP CB C 38.302 0.150 1 182 1575 47 ASP N N 117.654 0.150 1 183 1577 49 GLY C C 172.852 0.150 1 184 1577 49 GLY CA C 44.192 0.150 1 185 1578 50 ASN H H 9.518 0.015 1 186 1578 50 ASN C C 173.698 0.150 1 187 1578 50 ASN CA C 53.611 0.150 1 188 1578 50 ASN CB C 37.698 0.150 1 189 1578 50 ASN N N 125.572 0.150 1 190 1579 51 ASP H H 9.256 0.015 1 191 1579 51 ASP C C 173.770 0.150 1 192 1579 51 ASP CA C 53.486 0.150 1 193 1579 51 ASP CB C 46.320 0.150 1 194 1579 51 ASP N N 122.036 0.150 1 195 1580 52 ASP H H 8.856 0.015 1 196 1580 52 ASP C C 174.545 0.150 1 197 1580 52 ASP CA C 55.101 0.150 1 198 1580 52 ASP CB C 39.336 0.150 1 199 1580 52 ASP N N 122.876 0.150 1 200 1581 53 LEU H H 9.621 0.015 1 201 1581 53 LEU C C 175.607 0.150 1 202 1581 53 LEU CA C 54.119 0.150 1 203 1581 53 LEU CB C 45.633 0.150 1 204 1581 53 LEU N N 125.480 0.150 1 205 1582 54 PHE H H 8.791 0.015 1 206 1582 54 PHE CA C 62.856 0.150 1 207 1582 54 PHE CB C 44.315 0.150 1 208 1582 54 PHE N N 123.557 0.150 1 209 1593 65 GLY C C 179.958 0.150 1 210 1593 65 GLY CA C 44.098 0.150 1 211 1594 66 VAL H H 8.320 0.015 1 212 1594 66 VAL C C 178.450 0.150 1 213 1594 66 VAL CA C 64.195 0.150 1 214 1594 66 VAL CB C 31.415 0.150 1 215 1594 66 VAL N N 120.325 0.150 1 216 1595 67 GLY H H 10.220 0.015 1 217 1595 67 GLY C C 176.036 0.150 1 218 1595 67 GLY CA C 45.324 0.150 1 219 1595 67 GLY N N 117.863 0.150 1 220 1596 68 TYR H H 7.615 0.015 1 221 1596 68 TYR C C 177.201 0.150 1 222 1596 68 TYR CA C 58.757 0.150 1 223 1596 68 TYR CB C 39.683 0.150 1 224 1596 68 TYR N N 119.348 0.150 1 225 1597 69 GLY H H 10.283 0.015 1 226 1597 69 GLY C C 172.323 0.150 1 227 1597 69 GLY CA C 46.895 0.150 1 228 1597 69 GLY N N 118.698 0.150 1 229 1598 70 HIS H H 8.303 0.015 1 230 1598 70 HIS C C 174.579 0.150 1 231 1598 70 HIS CA C 52.799 0.150 1 232 1598 70 HIS CB C 29.421 0.150 1 233 1598 70 HIS N N 121.052 0.150 1 234 1599 71 ASP H H 8.455 0.015 1 235 1599 71 ASP C C 174.713 0.150 1 236 1599 71 ASP CA C 52.174 0.150 1 237 1599 71 ASP CB C 42.601 0.150 1 238 1599 71 ASP N N 124.586 0.150 1 239 1600 72 THR H H 8.828 0.015 1 240 1600 72 THR C C 172.429 0.150 1 241 1600 72 THR CA C 61.514 0.150 1 242 1600 72 THR CB C 70.712 0.150 1 243 1600 72 THR N N 118.309 0.150 1 244 1601 73 ILE H H 9.251 0.015 1 245 1601 73 ILE C C 173.031 0.150 1 246 1601 73 ILE CA C 60.539 0.150 1 247 1601 73 ILE CB C 40.396 0.150 1 248 1601 73 ILE N N 126.973 0.150 1 249 1602 74 TYR H H 8.569 0.015 1 250 1602 74 TYR C C 177.208 0.150 1 251 1602 74 TYR CA C 56.164 0.150 1 252 1602 74 TYR CB C 40.570 0.150 1 253 1602 74 TYR N N 126.251 0.150 1 254 1609 81 ASP C C 174.633 0.150 1 255 1609 81 ASP CA C 55.285 0.150 1 256 1610 82 THR H H 9.200 0.015 1 257 1610 82 THR C C 171.906 0.150 1 258 1610 82 THR CA C 61.861 0.150 1 259 1610 82 THR CB C 71.064 0.150 1 260 1610 82 THR N N 118.025 0.150 1 261 1611 83 ILE C C 174.657 0.150 1 262 1611 83 ILE CA C 60.009 0.150 1 263 1611 83 ILE CB C 41.609 0.150 1 264 1612 84 ARG H H 9.438 0.015 1 265 1612 84 ARG C C 174.460 0.150 1 266 1612 84 ARG CA C 55.505 0.150 1 267 1612 84 ARG CB C 31.174 0.150 1 268 1612 84 ARG N N 128.337 0.150 1 269 1613 85 ILE H H 9.092 0.015 1 270 1613 85 ILE C C 176.070 0.150 1 271 1613 85 ILE CA C 59.411 0.150 1 272 1613 85 ILE CB C 40.675 0.150 1 273 1613 85 ILE N N 123.549 0.150 1 274 1614 86 ASN H H 8.341 0.015 1 275 1614 86 ASN C C 173.918 0.150 1 276 1614 86 ASN CA C 52.215 0.150 1 277 1614 86 ASN CB C 36.536 0.150 1 278 1614 86 ASN N N 127.654 0.150 1 279 1615 87 ALA H H 8.091 0.015 1 280 1615 87 ALA C C 175.617 0.150 1 281 1615 87 ALA CA C 51.530 0.150 1 282 1615 87 ALA CB C 20.969 0.150 1 283 1615 87 ALA N N 123.197 0.150 1 284 1616 88 GLY H H 8.679 0.015 1 285 1616 88 GLY C C 175.168 0.150 1 286 1616 88 GLY CA C 45.131 0.150 1 287 1616 88 GLY N N 106.788 0.150 1 288 1617 89 ALA H H 9.145 0.015 1 289 1617 89 ALA C C 179.166 0.150 1 290 1617 89 ALA CA C 55.556 0.150 1 291 1617 89 ALA CB C 17.979 0.150 1 292 1617 89 ALA N N 124.318 0.150 1 293 1618 90 ASP H H 8.838 0.015 1 294 1618 90 ASP C C 176.992 0.150 1 295 1618 90 ASP CA C 55.131 0.150 1 296 1618 90 ASP CB C 39.465 0.150 1 297 1618 90 ASP N N 113.611 0.150 1 298 1619 91 GLN H H 7.957 0.015 1 299 1619 91 GLN C C 174.227 0.150 1 300 1619 91 GLN CA C 55.217 0.150 1 301 1619 91 GLN CB C 30.358 0.150 1 302 1619 91 GLN N N 118.468 0.150 1 303 1620 92 LEU H H 7.269 0.015 1 304 1620 92 LEU C C 175.357 0.150 1 305 1620 92 LEU CA C 53.645 0.150 1 306 1620 92 LEU CB C 44.205 0.150 1 307 1620 92 LEU N N 117.634 0.150 1 308 1621 93 TRP H H 8.818 0.015 1 309 1621 93 TRP HE1 H 10.226 0.015 1 310 1621 93 TRP C C 174.051 0.150 1 311 1621 93 TRP CA C 55.892 0.150 1 312 1621 93 TRP CB C 32.787 0.150 1 313 1621 93 TRP N N 123.472 0.150 1 314 1621 93 TRP NE1 N 129.209 0.150 1 315 1622 94 PHE H H 7.657 0.015 1 316 1622 94 PHE C C 174.018 0.150 1 317 1622 94 PHE CA C 56.477 0.150 1 318 1622 94 PHE CB C 42.520 0.150 1 319 1622 94 PHE N N 126.316 0.150 1 320 1623 95 ALA H H 9.004 0.015 1 321 1623 95 ALA C C 174.415 0.150 1 322 1623 95 ALA CA C 51.404 0.150 1 323 1623 95 ALA CB C 23.055 0.150 1 324 1623 95 ALA N N 121.965 0.150 1 325 1624 96 ARG H H 8.603 0.015 1 326 1624 96 ARG C C 175.863 0.150 1 327 1624 96 ARG CA C 55.210 0.150 1 328 1624 96 ARG CB C 30.330 0.150 1 329 1624 96 ARG N N 122.145 0.150 1 330 1625 97 GLN H H 8.462 0.015 1 331 1625 97 GLN C C 175.752 0.150 1 332 1625 97 GLN CA C 53.924 0.150 1 333 1625 97 GLN CB C 30.183 0.150 1 334 1625 97 GLN N N 128.917 0.150 1 335 1627 99 ASN C C 174.281 0.150 1 336 1627 99 ASN CA C 53.190 0.150 1 337 1627 99 ASN CB C 39.076 0.150 1 338 1628 100 ASP H H 8.802 0.015 1 339 1628 100 ASP C C 175.085 0.150 1 340 1628 100 ASP CA C 54.544 0.150 1 341 1628 100 ASP CB C 42.524 0.150 1 342 1628 100 ASP N N 122.843 0.150 1 343 1629 101 LEU H H 7.720 0.015 1 344 1629 101 LEU C C 174.036 0.150 1 345 1629 101 LEU CA C 53.967 0.150 1 346 1629 101 LEU CB C 44.200 0.150 1 347 1629 101 LEU N N 122.117 0.150 1 348 1630 102 GLU H H 9.442 0.015 1 349 1630 102 GLU C C 174.208 0.150 1 350 1630 102 GLU CA C 55.205 0.150 1 351 1630 102 GLU CB C 33.452 0.150 1 352 1630 102 GLU N N 128.623 0.150 1 353 1631 103 ILE H H 9.145 0.015 1 354 1631 103 ILE C C 175.279 0.150 1 355 1631 103 ILE CA C 59.895 0.150 1 356 1631 103 ILE CB C 39.942 0.150 1 357 1631 103 ILE N N 126.472 0.150 1 358 1632 104 ARG H H 9.057 0.015 1 359 1632 104 ARG C C 175.412 0.150 1 360 1632 104 ARG CA C 54.582 0.150 1 361 1632 104 ARG CB C 33.572 0.150 1 362 1632 104 ARG N N 124.728 0.150 1 363 1633 105 ILE H H 7.231 0.015 1 364 1633 105 ILE C C 176.952 0.150 1 365 1633 105 ILE CA C 60.923 0.150 1 366 1633 105 ILE CB C 36.238 0.150 1 367 1633 105 ILE N N 119.003 0.150 1 368 1634 106 LEU H H 9.271 0.015 1 369 1634 106 LEU C C 177.850 0.150 1 370 1634 106 LEU CA C 56.890 0.150 1 371 1634 106 LEU CB C 42.072 0.150 1 372 1634 106 LEU N N 131.114 0.150 1 373 1635 107 GLY H H 8.882 0.015 1 374 1635 107 GLY C C 174.210 0.150 1 375 1635 107 GLY CA C 45.343 0.150 1 376 1635 107 GLY N N 109.139 0.150 1 377 1636 108 THR H H 7.868 0.015 1 378 1636 108 THR C C 174.361 0.150 1 379 1636 108 THR CA C 60.267 0.150 1 380 1636 108 THR CB C 72.420 0.150 1 381 1636 108 THR N N 110.189 0.150 1 382 1637 109 ASP H H 8.697 0.015 1 383 1637 109 ASP C C 175.566 0.150 1 384 1637 109 ASP CA C 53.660 0.150 1 385 1637 109 ASP CB C 41.075 0.150 1 386 1637 109 ASP N N 119.583 0.150 1 387 1638 110 ASP H H 8.825 0.015 1 388 1638 110 ASP C C 176.019 0.150 1 389 1638 110 ASP CA C 55.371 0.150 1 390 1638 110 ASP CB C 42.725 0.150 1 391 1638 110 ASP N N 120.885 0.150 1 392 1639 111 ALA H H 9.343 0.015 1 393 1639 111 ALA C C 173.142 0.150 1 394 1639 111 ALA CA C 51.821 0.150 1 395 1639 111 ALA CB C 22.574 0.150 1 396 1639 111 ALA N N 127.535 0.150 1 397 1640 112 LEU H H 9.194 0.015 1 398 1640 112 LEU CA C 52.023 0.150 1 399 1640 112 LEU CB C 44.644 0.150 1 400 1640 112 LEU N N 125.851 0.150 1 401 1641 113 THR H H 8.998 0.015 1 402 1641 113 THR CA C 61.625 0.150 1 403 1641 113 THR CB C 70.768 0.150 1 404 1641 113 THR N N 123.478 0.150 1 405 1642 114 VAL H H 9.894 0.015 1 406 1642 114 VAL C C 176.008 0.150 1 407 1642 114 VAL CA C 62.097 0.150 1 408 1642 114 VAL CB C 31.074 0.150 1 409 1642 114 VAL N N 126.835 0.150 1 410 1643 115 HIS H H 8.957 0.015 1 411 1643 115 HIS CA C 56.291 0.150 1 412 1643 115 HIS N N 129.028 0.150 1 413 1644 116 ASP C C 175.846 0.150 1 414 1644 116 ASP CA C 56.241 0.150 1 415 1644 116 ASP CB C 39.323 0.150 1 416 1645 117 TRP H H 7.278 0.015 1 417 1645 117 TRP HE1 H 10.750 0.015 1 418 1645 117 TRP C C 176.286 0.150 1 419 1645 117 TRP CA C 61.475 0.150 1 420 1645 117 TRP CB C 31.156 0.150 1 421 1645 117 TRP N N 118.857 0.150 1 422 1645 117 TRP NE1 N 134.654 0.150 1 423 1646 118 TYR H H 8.749 0.015 1 424 1646 118 TYR C C 176.012 0.150 1 425 1646 118 TYR CA C 61.355 0.150 1 426 1646 118 TYR CB C 38.542 0.150 1 427 1646 118 TYR N N 109.316 0.150 1 428 1647 119 ARG H H 8.217 0.015 1 429 1647 119 ARG C C 176.129 0.150 1 430 1647 119 ARG CA C 58.632 0.150 1 431 1647 119 ARG CB C 31.551 0.150 1 432 1647 119 ARG N N 120.513 0.150 1 433 1655 127 ILE C C 174.247 0.150 1 434 1656 128 ILE H H 8.891 0.015 1 435 1656 128 ILE C C 174.523 0.150 1 436 1656 128 ILE CA C 60.112 0.150 1 437 1656 128 ILE CB C 40.070 0.150 1 438 1656 128 ILE N N 125.442 0.150 1 439 1657 129 HIS H H 9.614 0.015 1 440 1657 129 HIS C C 175.339 0.150 1 441 1657 129 HIS CA C 55.685 0.150 1 442 1657 129 HIS CB C 32.415 0.150 1 443 1657 129 HIS N N 127.872 0.150 1 444 1658 130 ALA H H 8.771 0.015 1 445 1658 130 ALA C C 177.099 0.150 1 446 1658 130 ALA CA C 50.955 0.150 1 447 1658 130 ALA CB C 18.742 0.150 1 448 1658 130 ALA N N 128.370 0.150 1 449 1659 131 ALA H H 8.703 0.015 1 450 1659 131 ALA C C 177.881 0.150 1 451 1659 131 ALA CA C 55.055 0.150 1 452 1659 131 ALA CB C 17.651 0.150 1 453 1659 131 ALA N N 122.606 0.150 1 454 1660 132 ASN H H 8.517 0.015 1 455 1660 132 ASN C C 174.543 0.150 1 456 1660 132 ASN CA C 53.209 0.150 1 457 1660 132 ASN CB C 38.567 0.150 1 458 1660 132 ASN N N 112.532 0.150 1 459 1661 133 GLN H H 7.594 0.015 1 460 1661 133 GLN C C 173.076 0.150 1 461 1661 133 GLN CA C 55.771 0.150 1 462 1661 133 GLN CB C 32.291 0.150 1 463 1661 133 GLN N N 118.675 0.150 1 464 1662 134 ALA H H 8.605 0.015 1 465 1662 134 ALA C C 177.130 0.150 1 466 1662 134 ALA CA C 51.179 0.150 1 467 1662 134 ALA CB C 20.593 0.150 1 468 1662 134 ALA N N 126.839 0.150 1 469 1663 135 VAL H H 9.209 0.015 1 470 1663 135 VAL C C 174.306 0.150 1 471 1663 135 VAL CA C 61.453 0.150 1 472 1663 135 VAL CB C 34.259 0.150 1 473 1663 135 VAL N N 123.158 0.150 1 474 1664 136 ASP H H 8.102 0.015 1 475 1664 136 ASP C C 176.396 0.150 1 476 1664 136 ASP CA C 52.178 0.150 1 477 1664 136 ASP CB C 41.687 0.150 1 478 1664 136 ASP N N 124.838 0.150 1 479 1665 137 GLN H H 8.244 0.015 1 480 1665 137 GLN C C 178.152 0.150 1 481 1665 137 GLN CA C 60.609 0.150 1 482 1665 137 GLN CB C 28.925 0.150 1 483 1665 137 GLN N N 117.651 0.150 1 484 1666 138 ALA H H 8.244 0.015 1 485 1666 138 ALA C C 180.995 0.150 1 486 1666 138 ALA CA C 55.021 0.150 1 487 1666 138 ALA CB C 18.008 0.150 1 488 1666 138 ALA N N 121.823 0.150 1 489 1667 139 GLY H H 8.366 0.015 1 490 1667 139 GLY C C 176.632 0.150 1 491 1667 139 GLY CA C 46.961 0.150 1 492 1667 139 GLY N N 108.551 0.150 1 493 1668 140 ILE H H 8.507 0.015 1 494 1668 140 ILE C C 177.366 0.150 1 495 1668 140 ILE CA C 64.949 0.150 1 496 1668 140 ILE CB C 38.222 0.150 1 497 1668 140 ILE N N 124.066 0.150 1 498 1669 141 GLU H H 7.758 0.015 1 499 1669 141 GLU C C 179.727 0.150 1 500 1669 141 GLU CA C 58.917 0.150 1 501 1669 141 GLU CB C 28.895 0.150 1 502 1669 141 GLU N N 117.216 0.150 1 503 1670 142 LYS H H 7.517 0.015 1 504 1670 142 LYS C C 179.458 0.150 1 505 1670 142 LYS CA C 58.816 0.150 1 506 1670 142 LYS CB C 32.453 0.150 1 507 1670 142 LYS N N 117.783 0.150 1 508 1671 143 LEU H H 7.603 0.015 1 509 1671 143 LEU C C 178.495 0.150 1 510 1671 143 LEU CA C 58.134 0.150 1 511 1671 143 LEU CB C 41.326 0.150 1 512 1671 143 LEU N N 122.109 0.150 1 513 1672 144 VAL H H 8.249 0.015 1 514 1672 144 VAL C C 179.326 0.150 1 515 1672 144 VAL CA C 66.070 0.150 1 516 1672 144 VAL CB C 31.948 0.150 1 517 1672 144 VAL N N 119.317 0.150 1 518 1673 145 GLU H H 7.848 0.015 1 519 1673 145 GLU C C 178.520 0.150 1 520 1673 145 GLU CA C 58.975 0.150 1 521 1673 145 GLU CB C 29.927 0.150 1 522 1673 145 GLU N N 118.441 0.150 1 523 1674 146 ALA H H 8.028 0.015 1 524 1674 146 ALA C C 180.187 0.150 1 525 1674 146 ALA CA C 54.553 0.150 1 526 1674 146 ALA CB C 18.761 0.150 1 527 1674 146 ALA N N 121.813 0.150 1 528 1675 147 MET H H 8.272 0.015 1 529 1675 147 MET C C 176.738 0.150 1 530 1675 147 MET CA C 57.470 0.150 1 531 1675 147 MET CB C 31.777 0.150 1 532 1675 147 MET N N 116.682 0.150 1 533 1676 148 ALA H H 7.675 0.015 1 534 1676 148 ALA C C 178.091 0.150 1 535 1676 148 ALA CA C 53.505 0.150 1 536 1676 148 ALA CB C 18.825 0.150 1 537 1676 148 ALA N N 122.588 0.150 1 538 1677 149 GLN H H 7.816 0.015 1 539 1677 149 GLN C C 175.481 0.150 1 540 1677 149 GLN CA C 55.619 0.150 1 541 1677 149 GLN CB C 29.343 0.150 1 542 1677 149 GLN N N 116.313 0.150 1 543 1678 150 TYR H H 8.022 0.015 1 544 1678 150 TYR C C 173.997 0.150 1 545 1678 150 TYR CA C 55.840 0.150 1 546 1678 150 TYR CB C 38.230 0.150 1 547 1678 150 TYR N N 122.273 0.150 1 548 1679 151 PRO C C 175.252 0.150 1 549 1679 151 PRO CA C 63.581 0.150 1 550 1679 151 PRO CB C 31.941 0.150 1 551 1680 152 ASP H H 7.877 0.015 1 552 1680 152 ASP C C 173.656 0.150 1 553 1680 152 ASP CA C 52.008 0.150 1 554 1680 152 ASP CB C 43.156 0.150 1 555 1680 152 ASP N N 121.128 0.150 1 stop_ save_ save_assigned_chem_shift_Ca- _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_Ca- $sample_Ca+ stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ACT RTX 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 1531 3 ALA C C 177.875 0.150 1 2 1531 3 ALA CA C 52.829 0.150 1 3 1531 3 ALA CB C 19.332 0.150 1 4 1532 4 ARG H H 8.307 0.015 1 5 1532 4 ARG C C 176.267 0.150 1 6 1532 4 ARG CA C 56.353 0.150 1 7 1532 4 ARG CB C 30.951 0.150 1 8 1532 4 ARG N N 119.625 0.150 1 9 1533 5 ASP H H 8.266 0.015 1 10 1533 5 ASP C C 176.119 0.150 1 11 1533 5 ASP CA C 54.65 0.150 1 12 1533 5 ASP CB C 41.227 0.150 1 13 1533 5 ASP N N 120.784 0.150 1 14 1534 6 ASP H H 8.266 0.015 1 15 1534 6 ASP C C 176.325 0.150 1 16 1534 6 ASP CA C 54.626 0.150 1 17 1534 6 ASP CB C 41.068 0.150 1 18 1534 6 ASP N N 120.095 0.150 1 19 1535 7 VAL H H 7.909 0.015 1 20 1535 7 VAL C C 176.058 0.150 1 21 1535 7 VAL CA C 62.579 0.150 1 22 1535 7 VAL CB C 32.686 0.150 1 23 1535 7 VAL N N 119.45 0.150 1 24 1536 8 LEU H H 8.286 0.015 1 25 1536 8 LEU C C 177.215 0.150 1 26 1536 8 LEU CA C 55.177 0.150 1 27 1536 8 LEU CB C 42.204 0.150 1 28 1536 8 LEU N N 125.514 0.150 1 29 1537 9 ILE H H 8.092 0.015 1 30 1537 9 ILE C C 176.749 0.150 1 31 1537 9 ILE CA C 61.305 0.150 1 32 1537 9 ILE CB C 38.712 0.150 1 33 1537 9 ILE N N 121.923 0.150 1 34 1538 10 GLY H H 8.373 0.015 1 35 1538 10 GLY C C 173.929 0.150 1 36 1538 10 GLY CA C 45.362 0.150 1 37 1538 10 GLY N N 112.537 0.150 1 38 1539 11 ASP H H 8.237 0.015 1 39 1539 11 ASP C C 176.526 0.150 1 40 1539 11 ASP CA C 54.427 0.150 1 41 1539 11 ASP CB C 41.53 0.150 1 42 1539 11 ASP N N 120.922 0.150 1 43 1540 12 ALA H H 8.389 0.015 1 44 1540 12 ALA C C 178.542 0.150 1 45 1540 12 ALA CA C 53.159 0.150 1 46 1540 12 ALA CB C 19.054 0.150 1 47 1540 12 ALA N N 124.86 0.150 1 48 1541 13 GLY H H 8.403 0.015 1 49 1541 13 GLY C C 174.312 0.150 1 50 1541 13 GLY CA C 45.487 0.150 1 51 1541 13 GLY N N 107.525 0.150 1 52 1542 14 ALA H H 8.025 0.015 1 53 1542 14 ALA C C 177.732 0.150 1 54 1542 14 ALA CA C 52.795 0.150 1 55 1542 14 ALA CB C 19.336 0.150 1 56 1542 14 ALA N N 123.221 0.150 1 57 1543 15 ASN H H 8.394 0.015 1 58 1543 15 ASN C C 175.45 0.150 1 59 1543 15 ASN CA C 53.495 0.150 1 60 1543 15 ASN CB C 38.811 0.150 1 61 1543 15 ASN N N 117.662 0.150 1 62 1544 16 VAL H H 7.989 0.015 1 63 1544 16 VAL C C 176.398 0.150 1 64 1544 16 VAL CA C 62.767 0.150 1 65 1544 16 VAL CB C 32.564 0.150 1 66 1544 16 VAL N N 119.942 0.150 1 67 1545 17 LEU H H 8.269 0.015 1 68 1545 17 LEU C C 177.296 0.150 1 69 1545 17 LEU CA C 55.411 0.150 1 70 1545 17 LEU CB C 42.15 0.150 1 71 1545 17 LEU N N 124.677 0.150 1 72 1546 18 ASN H H 8.325 0.015 1 73 1546 18 ASN C C 175.791 0.150 1 74 1546 18 ASN CA C 53.505 0.150 1 75 1546 18 ASN CB C 38.972 0.150 1 76 1546 18 ASN N N 119.018 0.150 1 77 1547 19 GLY H H 8.32 0.015 1 78 1547 19 GLY C C 174.264 0.150 1 79 1547 19 GLY CA C 45.603 0.150 1 80 1547 19 GLY N N 108.97 0.150 1 81 1548 20 LEU H H 8.051 0.015 1 82 1548 20 LEU C C 177.274 0.150 1 83 1548 20 LEU CA C 55.162 0.150 1 84 1548 20 LEU CB C 42.424 0.150 1 85 1548 20 LEU N N 121.507 0.150 1 86 1549 21 ALA H H 8.28 0.015 1 87 1549 21 ALA C C 178.165 0.150 1 88 1549 21 ALA CA C 52.693 0.150 1 89 1549 21 ALA CB C 19.38 0.150 1 90 1549 21 ALA N N 124.461 0.150 1 91 1550 22 GLY H H 8.325 0.015 1 92 1550 22 GLY C C 174.133 0.150 1 93 1550 22 GLY CA C 45.464 0.150 1 94 1550 22 GLY N N 107.88 0.150 1 95 1551 23 ASN H H 8.312 0.015 1 96 1551 23 ASN C C 175.06 0.150 1 97 1551 23 ASN CA C 53.409 0.150 1 98 1551 23 ASN CB C 39.186 0.150 1 99 1551 23 ASN N N 118.504 0.150 1 100 1552 24 ASP H H 8.431 0.015 1 101 1552 24 ASP C C 176.418 0.150 1 102 1552 24 ASP CA C 54.589 0.150 1 103 1552 24 ASP CB C 41.17 0.150 1 104 1552 24 ASP N N 120.641 0.150 1 105 1553 25 VAL H H 8.034 0.015 1 106 1553 25 VAL C C 176.475 0.150 1 107 1553 25 VAL CA C 62.74 0.150 1 108 1553 25 VAL CB C 32.552 0.150 1 109 1553 25 VAL N N 119.876 0.150 1 110 1554 26 LEU H H 8.3 0.015 1 111 1554 26 LEU C C 177.633 0.150 1 112 1554 26 LEU CA C 55.284 0.150 1 113 1554 26 LEU CB C 42.173 0.150 1 114 1554 26 LEU N N 124.967 0.150 1 115 1555 27 SER H H 8.25 0.015 1 116 1555 27 SER C C 175.192 0.150 1 117 1555 27 SER CA C 58.583 0.150 1 118 1555 27 SER CB C 63.973 0.150 1 119 1555 27 SER N N 116.501 0.150 1 120 1556 28 GLY H H 8.429 0.015 1 121 1556 28 GLY C C 174.746 0.150 1 122 1556 28 GLY CA C 45.535 0.150 1 123 1556 28 GLY N N 110.855 0.150 1 124 1557 29 GLY H H 8.302 0.015 1 125 1557 29 GLY C C 174.005 0.150 1 126 1557 29 GLY CA C 45.265 0.150 1 127 1557 29 GLY N N 108.907 0.150 1 128 1558 30 ALA H H 8.311 0.015 1 129 1558 30 ALA C C 178.298 0.150 1 130 1558 30 ALA CA C 52.679 0.150 1 131 1558 30 ALA CB C 19.515 0.150 1 132 1558 30 ALA N N 123.783 0.150 1 133 1559 31 GLY H H 8.431 0.015 1 134 1559 31 GLY C C 174.132 0.150 1 135 1559 31 GLY CA C 45.358 0.150 1 136 1559 31 GLY N N 108.226 0.150 1 137 1560 32 ASP H H 8.228 0.015 1 138 1560 32 ASP C C 176.179 0.150 1 139 1560 32 ASP CA C 54.596 0.150 1 140 1560 32 ASP CB C 41.3 0.150 1 141 1560 32 ASP N N 120.319 0.150 1 142 1561 33 ASP H H 8.384 0.015 1 143 1561 33 ASP C C 176.301 0.150 1 144 1561 33 ASP CA C 54.589 0.150 1 145 1561 33 ASP CB C 41.08 0.150 1 146 1561 33 ASP N N 120.293 0.150 1 147 1562 34 VAL H H 7.968 0.015 1 148 1562 34 VAL C C 175.993 0.150 1 149 1562 34 VAL CA C 62.507 0.150 1 150 1562 34 VAL CB C 32.707 0.150 1 151 1562 34 VAL N N 120.056 0.150 1 152 1563 35 LEU H H 8.295 0.015 1 153 1563 35 LEU C C 177.136 0.150 1 154 1563 35 LEU CA C 54.984 0.150 1 155 1563 35 LEU CB C 42.191 0.150 1 156 1563 35 LEU N N 125.943 0.150 1 157 1564 36 LEU H H 8.314 0.015 1 158 1564 36 LEU C C 177.894 0.150 1 159 1564 36 LEU CA C 55.206 0.150 1 160 1564 36 LEU CB C 42.553 0.150 1 161 1564 36 LEU N N 123.773 0.150 1 162 1565 37 GLY H H 8.367 0.015 1 163 1565 37 GLY C C 173.894 0.150 1 164 1565 37 GLY CA C 45.324 0.150 1 165 1565 37 GLY N N 109.595 0.150 1 166 1566 38 ASP H H 8.281 0.015 1 167 1566 38 ASP C C 176.692 0.150 1 168 1566 38 ASP CA C 54.347 0.150 1 169 1566 38 ASP CB C 41.537 0.150 1 170 1566 38 ASP N N 120.639 0.150 1 171 1567 39 GLU H H 8.619 0.015 1 172 1567 39 GLU C C 177.335 0.150 1 173 1567 39 GLU CA C 57.386 0.150 1 174 1567 39 GLU CB C 30.066 0.150 1 175 1567 39 GLU N N 121.772 0.150 1 176 1568 40 GLY H H 8.527 0.015 1 177 1568 40 GLY C C 174.584 0.150 1 178 1568 40 GLY CA C 45.578 0.150 1 179 1568 40 GLY N N 109.764 0.150 1 180 1569 41 SER H H 8.159 0.015 1 181 1569 41 SER C C 174.511 0.150 1 182 1569 41 SER CA C 58.68 0.150 1 183 1569 41 SER CB C 64.105 0.150 1 184 1569 41 SER N N 115.531 0.150 1 185 1570 42 ASP H H 8.504 0.015 1 186 1570 42 ASP C C 176.393 0.150 1 187 1570 42 ASP CA C 54.568 0.150 1 188 1570 42 ASP CB C 40.992 0.150 1 189 1570 42 ASP N N 122.394 0.150 1 190 1571 43 LEU H H 8.121 0.015 1 191 1571 43 LEU C C 177.606 0.150 1 192 1571 43 LEU CA C 55.572 0.150 1 193 1571 43 LEU CB C 42.252 0.150 1 194 1571 43 LEU N N 122.008 0.150 1 195 1572 44 LEU H H 8.195 0.015 1 196 1572 44 LEU C C 177.593 0.150 1 197 1572 44 LEU CA C 55.195 0.150 1 198 1572 44 LEU CB C 42.172 0.150 1 199 1572 44 LEU N N 122.252 0.150 1 200 1573 45 SER H H 8.205 0.015 1 201 1573 45 SER C C 175.215 0.150 1 202 1573 45 SER CA C 58.601 0.150 1 203 1573 45 SER CB C 63.999 0.150 1 204 1573 45 SER N N 116.359 0.150 1 205 1574 46 GLY H H 8.376 0.015 1 206 1574 46 GLY C C 173.942 0.150 1 207 1574 46 GLY CA C 45.447 0.150 1 208 1574 46 GLY N N 110.85 0.150 1 209 1575 47 ASP H H 8.247 0.015 1 210 1575 47 ASP C C 176.237 0.150 1 211 1575 47 ASP CA C 54.389 0.150 1 212 1575 47 ASP CB C 41.548 0.150 1 213 1575 47 ASP N N 120.648 0.150 1 214 1576 48 ALA H H 8.31 0.015 1 215 1576 48 ALA C C 178.363 0.150 1 216 1576 48 ALA CA C 52.885 0.150 1 217 1576 48 ALA CB C 19.323 0.150 1 218 1576 48 ALA N N 124.746 0.150 1 219 1577 49 GLY H H 8.422 0.015 1 220 1577 49 GLY C C 174.161 0.150 1 221 1577 49 GLY CA C 45.468 0.150 1 222 1577 49 GLY N N 107.8 0.150 1 223 1578 50 ASN H H 8.261 0.015 1 224 1578 50 ASN C C 175.175 0.150 1 225 1578 50 ASN CA C 53.307 0.150 1 226 1578 50 ASN CB C 39.315 0.150 1 227 1578 50 ASN N N 118.562 0.150 1 228 1579 51 ASP H H 8.404 0.015 1 229 1579 51 ASP C C 176.193 0.150 1 230 1579 51 ASP CA C 54.77 0.150 1 231 1579 51 ASP CB C 41.263 0.150 1 232 1579 51 ASP N N 120.988 0.150 1 233 1580 52 ASP H H 8.296 0.015 1 234 1580 52 ASP C C 176.546 0.150 1 235 1580 52 ASP CA C 54.638 0.150 1 236 1580 52 ASP CB C 41.123 0.150 1 237 1580 52 ASP N N 120.493 0.150 1 238 1581 53 LEU H H 8.073 0.015 1 239 1581 53 LEU C C 177.586 0.150 1 240 1581 53 LEU CA C 55.65 0.150 1 241 1581 53 LEU CB C 42.153 0.150 1 242 1581 53 LEU N N 121.981 0.150 1 243 1582 54 PHE H H 8.202 0.015 1 244 1582 54 PHE C C 176.621 0.150 1 245 1582 54 PHE CA C 57.927 0.150 1 246 1582 54 PHE CB C 39.33 0.150 1 247 1582 54 PHE N N 119.737 0.150 1 248 1583 55 GLY H H 8.274 0.015 1 249 1583 55 GLY C C 174.874 0.150 1 250 1583 55 GLY CA C 45.689 0.150 1 251 1583 55 GLY N N 110.366 0.150 1 252 1584 56 GLY H H 8.093 0.015 1 253 1584 56 GLY C C 174.343 0.150 1 254 1584 56 GLY CA C 45.449 0.150 1 255 1584 56 GLY N N 108.559 0.150 1 256 1585 57 GLN H H 8.318 0.015 1 257 1585 57 GLN C C 176.525 0.150 1 258 1585 57 GLN CA C 56.063 0.150 1 259 1585 57 GLN CB C 29.584 0.150 1 260 1585 57 GLN N N 119.562 0.150 1 261 1586 58 GLY H H 8.475 0.015 1 262 1586 58 GLY C C 173.869 0.150 1 263 1586 58 GLY CA C 45.365 0.150 1 264 1586 58 GLY N N 110.04 0.150 1 265 1587 59 ASP H H 8.249 0.015 1 266 1587 59 ASP C C 176.318 0.150 1 267 1587 59 ASP CA C 54.458 0.150 1 268 1587 59 ASP CB C 41.481 0.150 1 269 1587 59 ASP N N 120.523 0.150 1 270 1588 60 ASP H H 8.437 0.015 1 271 1588 60 ASP C C 176.812 0.150 1 272 1588 60 ASP CA C 54.69 0.150 1 273 1588 60 ASP CB C 40.925 0.150 1 274 1588 60 ASP N N 120.981 0.150 1 275 1589 61 THR H H 8.132 0.015 1 276 1589 61 THR C C 174.936 0.150 1 277 1589 61 THR CA C 63.278 0.150 1 278 1589 61 THR CB C 69.639 0.150 1 279 1589 61 THR N N 114.12 0.150 1 280 1590 62 TYR H H 8.074 0.015 1 281 1590 62 TYR C C 175.819 0.150 1 282 1590 62 TYR CA C 58.365 0.150 1 283 1590 62 TYR CB C 38.357 0.150 1 284 1590 62 TYR N N 122.088 0.150 1 285 1591 63 LEU H H 7.837 0.015 1 286 1591 63 LEU C C 176.927 0.150 1 287 1591 63 LEU CA C 55.347 0.150 1 288 1591 63 LEU CB C 42.264 0.150 1 289 1591 63 LEU N N 123.016 0.150 1 290 1592 64 PHE H H 7.888 0.015 1 291 1592 64 PHE C C 176.355 0.150 1 292 1592 64 PHE CA C 57.951 0.150 1 293 1592 64 PHE CB C 39.446 0.150 1 294 1592 64 PHE N N 119.417 0.150 1 295 1593 65 GLY H H 8.125 0.015 1 296 1593 65 GLY C C 174.104 0.150 1 297 1593 65 GLY CA C 45.378 0.150 1 298 1593 65 GLY N N 109.86 0.150 1 299 1594 66 VAL H H 7.946 0.015 1 300 1594 66 VAL C C 176.713 0.150 1 301 1594 66 VAL CA C 62.724 0.150 1 302 1594 66 VAL CB C 32.655 0.150 1 303 1594 66 VAL N N 118.824 0.150 1 304 1595 67 GLY H H 8.436 0.015 1 305 1595 67 GLY C C 173.862 0.150 1 306 1595 67 GLY CA C 45.177 0.150 1 307 1595 67 GLY N N 111.803 0.150 1 308 1596 68 TYR H H 8.018 0.015 1 309 1596 68 TYR C C 176.389 0.150 1 310 1596 68 TYR CA C 58.196 0.150 1 311 1596 68 TYR CB C 38.965 0.150 1 312 1596 68 TYR N N 120.008 0.150 1 313 1597 69 GLY H H 8.365 0.015 1 314 1597 69 GLY CA C 45.394 0.150 1 315 1597 69 GLY N N 110.633 0.150 1 316 1598 70 HIS CB C 30.681 0.150 1 317 1599 71 ASP H H 8.435 0.015 1 318 1599 71 ASP C C 176.352 0.150 1 319 1599 71 ASP CA C 54.538 0.150 1 320 1599 71 ASP CB C 41.224 0.150 1 321 1599 71 ASP N N 120.845 0.150 1 322 1600 72 THR H H 8.081 0.015 1 323 1600 72 THR C C 174.411 0.150 1 324 1600 72 THR CA C 62.326 0.150 1 325 1600 72 THR CB C 69.913 0.150 1 326 1600 72 THR N N 114.779 0.150 1 327 1601 73 ILE H H 8.064 0.015 1 328 1601 73 ILE C C 175.952 0.150 1 329 1601 73 ILE CA C 61.414 0.150 1 330 1601 73 ILE CB C 38.559 0.150 1 331 1601 73 ILE N N 122.813 0.150 1 332 1602 74 TYR H H 8.195 0.015 1 333 1602 74 TYR C C 175.866 0.150 1 334 1602 74 TYR CA C 57.957 0.150 1 335 1602 74 TYR CB C 38.925 0.150 1 336 1602 74 TYR N N 123.981 0.150 1 337 1603 75 GLU H H 8.304 0.015 1 338 1603 75 GLU C C 176.365 0.150 1 339 1603 75 GLU CA C 56.583 0.150 1 340 1603 75 GLU CB C 30.608 0.150 1 341 1603 75 GLU N N 122.832 0.150 1 342 1604 76 SER H H 8.359 0.015 1 343 1604 76 SER C C 175.352 0.150 1 344 1604 76 SER CA C 58.7 0.150 1 345 1604 76 SER CB C 63.995 0.150 1 346 1604 76 SER N N 116.963 0.150 1 347 1605 77 GLY H H 8.508 0.015 1 348 1605 77 GLY C C 174.835 0.150 1 349 1605 77 GLY CA C 45.519 0.150 1 350 1605 77 GLY N N 111.069 0.150 1 351 1606 78 GLY H H 8.322 0.015 1 352 1606 78 GLY C C 174.728 0.150 1 353 1606 78 GLY CA C 45.45 0.150 1 354 1606 78 GLY N N 108.644 0.150 1 355 1607 79 GLY H H 8.337 0.015 1 356 1607 79 GLY C C 174.723 0.150 1 357 1607 79 GLY CA C 45.394 0.150 1 358 1607 79 GLY N N 108.508 0.150 1 359 1609 81 ASP C C 176.382 0.150 1 360 1609 81 ASP CA C 54.627 0.150 1 361 1609 81 ASP CB C 41.195 0.150 1 362 1610 82 THR H H 8.092 0.015 1 363 1610 82 THR C C 174.633 0.150 1 364 1610 82 THR CA C 62.466 0.150 1 365 1610 82 THR CB C 69.824 0.150 1 366 1610 82 THR N N 114.321 0.150 1 367 1611 83 ILE H H 8.102 0.015 1 368 1611 83 ILE CA C 61.593 0.150 1 369 1611 83 ILE CB C 38.512 0.150 1 370 1611 83 ILE N N 123.126 0.150 1 371 1612 84 ARG H H 8.321 0.015 1 372 1612 84 ARG C C 176.184 0.150 1 373 1612 84 ARG CA C 56.042 0.150 1 374 1612 84 ARG CB C 30.894 0.150 1 375 1612 84 ARG N N 125.013 0.150 1 376 1613 85 ILE H H 8.174 0.015 1 377 1613 85 ILE C C 176.017 0.150 1 378 1613 85 ILE CA C 61.361 0.150 1 379 1613 85 ILE CB C 38.872 0.150 1 380 1613 85 ILE N N 122.024 0.150 1 381 1616 88 GLY CA C 45.422 0.150 1 382 1617 89 ALA H H 8.128 0.015 1 383 1617 89 ALA C C 177.773 0.150 1 384 1617 89 ALA CA C 53.035 0.150 1 385 1617 89 ALA CB C 19.27 0.150 1 386 1617 89 ALA N N 123.586 0.150 1 387 1618 90 ASP H H 8.315 0.015 1 388 1618 90 ASP C C 176.568 0.150 1 389 1618 90 ASP CA C 54.724 0.150 1 390 1618 90 ASP CB C 40.994 0.150 1 391 1618 90 ASP N N 118.519 0.150 1 392 1619 91 GLN H H 8.156 0.015 1 393 1619 91 GLN CA C 56.472 0.150 1 394 1619 91 GLN CB C 29.165 0.150 1 395 1619 91 GLN N N 119.73 0.150 1 396 1620 92 LEU H H 8.118 0.015 1 397 1620 92 LEU C C 176.321 0.150 1 398 1620 92 LEU CA C 55.857 0.150 1 399 1620 92 LEU CB C 41.845 0.150 1 400 1620 92 LEU N N 121.783 0.150 1 401 1621 93 TRP H H 7.899 0.015 1 402 1621 93 TRP CA C 58.137 0.150 1 403 1621 93 TRP CB C 29.474 0.150 1 404 1621 93 TRP N N 120.398 0.150 1 405 1622 94 PHE H H 7.673 0.015 1 406 1622 94 PHE C C 176.28 0.150 1 407 1622 94 PHE CA C 58.064 0.150 1 408 1622 94 PHE CB C 39.554 0.150 1 409 1622 94 PHE N N 119.897 0.150 1 410 1623 95 ALA H H 7.954 0.015 1 411 1623 95 ALA C C 177.622 0.150 1 412 1623 95 ALA CA C 52.709 0.150 1 413 1623 95 ALA CB C 19.165 0.150 1 414 1623 95 ALA N N 124.075 0.150 1 415 1624 96 ARG H H 8.015 0.015 1 416 1624 96 ARG CA C 56.302 0.150 1 417 1624 96 ARG CB C 30.813 0.150 1 418 1624 96 ARG N N 119.532 0.150 1 419 1627 99 ASN CA C 53.449 0.150 1 420 1627 99 ASN CB C 39.106 0.150 1 421 1628 100 ASP H H 8.421 0.015 1 422 1628 100 ASP CA C 54.612 0.150 1 423 1628 100 ASP CB C 41.08 0.150 1 424 1628 100 ASP N N 120.38 0.150 1 425 1629 101 LEU H H 8.111 0.015 1 426 1629 101 LEU CA C 55.431 0.150 1 427 1629 101 LEU CB C 42.325 0.150 1 428 1629 101 LEU N N 121.344 0.150 1 429 1630 102 GLU H H 8.243 0.015 1 430 1630 102 GLU CA C 56.579 0.150 1 431 1630 102 GLU CB C 30.41 0.150 1 432 1630 102 GLU N N 121.23 0.150 1 433 1631 103 ILE H H 8.104 0.015 1 434 1631 103 ILE C C 177.882 0.150 1 435 1631 103 ILE CA C 61.082 0.150 1 436 1631 103 ILE CB C 38.546 0.150 1 437 1631 103 ILE N N 122.315 0.150 1 438 1632 104 ARG H H 8.373 0.015 1 439 1632 104 ARG C C 175.601 0.150 1 440 1632 104 ARG CA C 55.767 0.150 1 441 1632 104 ARG CB C 31.163 0.150 1 442 1632 104 ARG N N 126.103 0.150 1 443 1633 105 ILE H H 8.28 0.015 1 444 1633 105 ILE C C 175.221 0.150 1 445 1633 105 ILE CA C 61.179 0.150 1 446 1633 105 ILE CB C 38.556 0.150 1 447 1633 105 ILE N N 123.851 0.150 1 448 1634 106 LEU H H 7.883 0.015 1 449 1634 106 LEU C C 176.218 0.150 1 450 1634 106 LEU N N 112.37 0.150 1 451 1635 107 GLY H H 8.282 0.015 1 452 1635 107 GLY C C 174.483 0.150 1 453 1635 107 GLY CA C 45.554 0.150 1 454 1635 107 GLY N N 113.867 0.150 1 455 1637 109 ASP C C 176.399 0.150 1 456 1637 109 ASP CA C 54.589 0.150 1 457 1637 109 ASP CB C 40.989 0.150 1 458 1638 110 ASP H H 8.136 0.015 1 459 1638 110 ASP C C 176.31 0.150 1 460 1638 110 ASP CA C 54.74 0.150 1 461 1638 110 ASP CB C 41.186 0.150 1 462 1638 110 ASP N N 120.678 0.150 1 463 1639 111 ALA H H 8.205 0.015 1 464 1639 111 ALA C C 177.913 0.150 1 465 1639 111 ALA CA C 52.949 0.150 1 466 1639 111 ALA CB C 19.149 0.150 1 467 1639 111 ALA N N 123.49 0.150 1 468 1640 112 LEU H H 8.126 0.015 1 469 1640 112 LEU C C 177.736 0.150 1 470 1640 112 LEU CA C 55.415 0.150 1 471 1640 112 LEU CB C 42.327 0.150 1 472 1640 112 LEU N N 120.141 0.150 1 473 1641 113 THR H H 8.068 0.015 1 474 1641 113 THR C C 174.482 0.150 1 475 1641 113 THR CA C 62.045 0.150 1 476 1641 113 THR CB C 69.921 0.150 1 477 1641 113 THR N N 114.884 0.150 1 478 1642 114 VAL H H 7.998 0.015 1 479 1642 114 VAL C C 175.771 0.150 1 480 1642 114 VAL CA C 62.389 0.150 1 481 1642 114 VAL CB C 32.646 0.150 1 482 1642 114 VAL N N 122.032 0.150 1 483 1644 116 ASP C C 176.134 0.150 1 484 1644 116 ASP CA C 54.561 0.150 1 485 1644 116 ASP CB C 41.12 0.150 1 486 1645 117 TRP H H 7.954 0.015 1 487 1645 117 TRP C C 176.249 0.150 1 488 1645 117 TRP CA C 57.643 0.150 1 489 1645 117 TRP CB C 29.451 0.150 1 490 1645 117 TRP N N 120.659 0.150 1 491 1646 118 TYR H H 7.841 0.015 1 492 1646 118 TYR C C 175.789 0.150 1 493 1646 118 TYR CA C 58.29 0.150 1 494 1646 118 TYR CB C 38.37 0.150 1 495 1646 118 TYR N N 120.407 0.150 1 496 1647 119 ARG H H 7.893 0.015 1 497 1647 119 ARG C C 175.964 0.150 1 498 1647 119 ARG CA C 56.383 0.150 1 499 1647 119 ARG CB C 30.982 0.150 1 500 1647 119 ARG N N 122.131 0.150 1 501 1648 120 ASP H H 8.168 0.015 1 502 1648 120 ASP C C 176.249 0.150 1 503 1648 120 ASP CA C 54.594 0.150 1 504 1648 120 ASP CB C 41.34 0.150 1 505 1648 120 ASP N N 120.809 0.150 1 506 1649 121 ALA H H 8.141 0.015 1 507 1649 121 ALA C C 177.695 0.150 1 508 1649 121 ALA CA C 53.213 0.150 1 509 1649 121 ALA CB C 19.271 0.150 1 510 1649 121 ALA N N 123.496 0.150 1 511 1650 122 ASP H H 8.209 0.015 1 512 1650 122 ASP C C 176.289 0.150 1 513 1650 122 ASP CA C 54.668 0.150 1 514 1650 122 ASP CB C 41.094 0.150 1 515 1650 122 ASP N N 118.299 0.150 1 516 1651 123 HIS H H 8.082 0.015 1 517 1651 123 HIS CA C 56.385 0.150 1 518 1651 123 HIS CB C 30.264 0.150 1 519 1651 123 HIS N N 119.644 0.150 1 520 1652 124 ARG H H 8.144 0.015 1 521 1652 124 ARG C C 176.219 0.150 1 522 1652 124 ARG CA C 56.465 0.150 1 523 1652 124 ARG CB C 30.756 0.150 1 524 1652 124 ARG N N 122.111 0.150 1 525 1653 125 VAL H H 8.104 0.015 1 526 1653 125 VAL C C 176.022 0.150 1 527 1653 125 VAL CA C 62.598 0.150 1 528 1653 125 VAL CB C 32.796 0.150 1 529 1653 125 VAL N N 121.104 0.150 1 530 1654 126 GLU H H 8.471 0.015 1 531 1654 126 GLU C C 176.314 0.150 1 532 1654 126 GLU CA C 56.652 0.150 1 533 1654 126 GLU CB C 30.443 0.150 1 534 1654 126 GLU N N 124.605 0.150 1 535 1655 127 ILE H H 8.17 0.015 1 536 1655 127 ILE C C 176.082 0.150 1 537 1655 127 ILE CA C 61.245 0.150 1 538 1655 127 ILE CB C 38.567 0.150 1 539 1655 127 ILE N N 122.751 0.150 1 540 1656 128 ILE H H 8.135 0.015 1 541 1656 128 ILE C C 176.126 0.150 1 542 1656 128 ILE CA C 61.202 0.150 1 543 1656 128 ILE CB C 38.523 0.150 1 544 1656 128 ILE N N 124.957 0.150 1 545 1659 131 ALA H H 8.261 0.015 1 546 1659 131 ALA C C 176.593 0.150 1 547 1659 131 ALA CA C 52.527 0.150 1 548 1659 131 ALA CB C 19.417 0.150 1 549 1659 131 ALA N N 125.584 0.150 1 550 1660 132 ASN H H 7.921 0.015 1 551 1660 132 ASN C C 174.918 0.150 1 552 1660 132 ASN CA C 57.247 0.150 1 553 1660 132 ASN CB C 34.098 0.150 1 554 1660 132 ASN N N 125.412 0.150 1 555 1662 134 ALA H H 8.302 0.015 1 556 1662 134 ALA C C 177.837 0.150 1 557 1662 134 ALA CA C 52.67 0.150 1 558 1662 134 ALA CB C 19.227 0.150 1 559 1662 134 ALA N N 125.226 0.150 1 560 1663 135 VAL H H 8.068 0.015 1 561 1663 135 VAL C C 176.03 0.150 1 562 1663 135 VAL CA C 62.378 0.150 1 563 1663 135 VAL CB C 32.931 0.150 1 564 1663 135 VAL N N 118.855 0.150 1 565 1664 136 ASP H H 8.364 0.015 1 566 1664 136 ASP C C 176.477 0.150 1 567 1664 136 ASP CA C 54.395 0.150 1 568 1664 136 ASP CB C 41.226 0.150 1 569 1664 136 ASP N N 123.464 0.150 1 570 1665 137 GLN H H 8.333 0.015 1 571 1665 137 GLN C C 176.478 0.150 1 572 1665 137 GLN CA C 56.328 0.150 1 573 1665 137 GLN CB C 29.276 0.150 1 574 1665 137 GLN N N 121.129 0.150 1 575 1666 138 ALA H H 8.315 0.015 1 576 1666 138 ALA C C 178.627 0.150 1 577 1666 138 ALA CA C 53.135 0.150 1 578 1666 138 ALA CB C 19.148 0.150 1 579 1666 138 ALA N N 124.209 0.150 1 580 1667 139 GLY H H 8.339 0.015 1 581 1667 139 GLY C C 174.737 0.150 1 582 1667 139 GLY CA C 45.67 0.150 1 583 1667 139 GLY N N 107.87 0.150 1 584 1668 140 ILE H H 7.879 0.015 1 585 1668 140 ILE C C 176.628 0.150 1 586 1668 140 ILE CA C 61.688 0.150 1 587 1668 140 ILE CB C 38.666 0.150 1 588 1668 140 ILE N N 119.915 0.150 1 589 1669 141 GLU H H 8.543 0.015 1 590 1669 141 GLU C C 176.712 0.150 1 591 1669 141 GLU CA C 57.273 0.150 1 592 1669 141 GLU CB C 29.989 0.150 1 593 1669 141 GLU N N 124.209 0.150 1 594 1670 142 LYS H H 8.193 0.015 1 595 1670 142 LYS C C 176.607 0.150 1 596 1670 142 LYS CA C 56.423 0.150 1 597 1670 142 LYS CB C 32.937 0.150 1 598 1670 142 LYS N N 122.049 0.150 1 599 1671 143 LEU H H 8.176 0.015 1 600 1671 143 LEU C C 177.562 0.150 1 601 1671 143 LEU CA C 55.561 0.150 1 602 1671 143 LEU CB C 42.237 0.150 1 603 1671 143 LEU N N 123.719 0.150 1 604 1672 144 VAL H H 8.113 0.015 1 605 1672 144 VAL C C 176.574 0.150 1 606 1672 144 VAL CA C 62.903 0.150 1 607 1672 144 VAL CB C 32.725 0.150 1 608 1672 144 VAL N N 121.185 0.150 1 609 1673 145 GLU H H 8.401 0.015 1 610 1673 145 GLU CA C 56.924 0.150 1 611 1673 145 GLU CB C 30.386 0.150 1 612 1673 145 GLU N N 124.319 0.150 1 613 1674 146 ALA H H 8.241 0.015 1 614 1674 146 ALA C C 177.939 0.150 1 615 1674 146 ALA CA C 52.807 0.150 1 616 1674 146 ALA CB C 19.244 0.150 1 617 1674 146 ALA N N 124.607 0.150 1 618 1675 147 MET H H 8.217 0.015 1 619 1675 147 MET C C 176.057 0.150 1 620 1675 147 MET CA C 55.633 0.150 1 621 1675 147 MET CB C 33.063 0.150 1 622 1675 147 MET N N 119.131 0.150 1 623 1676 148 ALA H H 8.164 0.015 1 624 1676 148 ALA C C 177.219 0.150 1 625 1676 148 ALA CA C 52.616 0.150 1 626 1676 148 ALA CB C 19.209 0.150 1 627 1676 148 ALA N N 124.969 0.150 1 628 1677 149 GLN H H 8.104 0.015 1 629 1677 149 GLN C C 175.228 0.150 1 630 1677 149 GLN CA C 55.633 0.150 1 631 1677 149 GLN CB C 29.846 0.150 1 632 1677 149 GLN N N 118.993 0.150 1 633 1678 150 TYR H H 8.219 0.015 1 634 1678 150 TYR CA C 55.628 0.150 1 635 1678 150 TYR CB C 38.341 0.150 1 636 1678 150 TYR N N 122.088 0.150 1 637 1679 151 PRO C C 175.293 0.150 1 638 1679 151 PRO CA C 63.486 0.150 1 639 1679 151 PRO CB C 32.003 0.150 1 640 1680 152 ASP H H 7.922 0.015 1 641 1680 152 ASP C C 173.687 0.150 1 642 1680 152 ASP CA C 51.983 0.150 1 643 1680 152 ASP CB C 43.232 0.150 1 644 1680 152 ASP N N 121.079 0.150 1 stop_ save_