data_27496 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PLCg1 constructs ; _BMRB_accession_number 27496 _BMRB_flat_file_name bmr27496.str _Entry_type original _Submission_date 2018-05-29 _Accession_date 2018-05-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignments for various PLCg1 constructs. Upload and update in progress.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koss Hans . . 2 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 813 "13C chemical shifts" 856 "15N chemical shifts" 813 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-07 update BMRB 'update entry citation' 2018-07-02 original author 'original release' stop_ _Original_release_date 2018-05-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic allostery in PLC 1 and its modulation by a cancer mutation revealed by MD simulation and NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29972810 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koss Hans . . 2 Bunney Tom D. . 3 Esposito Diego . . 4 Martins Marta . . 5 Katan Matilda . . 6 Driscoll Paul C. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 115 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31 _Page_last 45 _Year 2018 _Details . loop_ _Keyword 'N-site exchange' PLC 'chemical shifts' 'disease-relevant mutation' 'dynamic allostery' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PLCg1 tandem' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PLCg1 tandem SH2' $phospholipase_Cg1 NSH2CSH2DCTPY783 $pY783_peptide 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_phospholipase_Cg1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common phospholipase_Cg1 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; Details of sequences see (accepted, now in press) paper in Biophys J. These are all variations of NSH2CSH2 constructs. ; ############################## # Polymer residue sequence # ############################## _Residue_count 246 _Mol_residue_sequence ; HSNEKWFHGKLGAGRDGRHI AERLLTEYCIETGAPDGSFL VRESETFVGDYTLSFWRNGK VQHCRIHSRQDAGTPKFFLT DNLVFDSLYDLITHYQQVPL RCNEFEMRLSEPVPQTNAHE SKEWYHASLTRAQAEHMLMR VPRDGAFLVRKRNEPNSYAI SFRAEGKIKHCRVQQEGQTV MLGNSEFDSLVDLISYYEKH PLYRKMKLRYPINEEALEKI GTAEPDFGALFEGRNPGFYV EANPMP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 545 HIS 2 546 SER 3 547 ASN 4 548 GLU 5 549 LYS 6 550 TRP 7 551 PHE 8 552 HIS 9 553 GLY 10 554 LYS 11 555 LEU 12 556 GLY 13 557 ALA 14 558 GLY 15 559 ARG 16 560 ASP 17 561 GLY 18 562 ARG 19 563 HIS 20 564 ILE 21 565 ALA 22 566 GLU 23 567 ARG 24 568 LEU 25 569 LEU 26 570 THR 27 571 GLU 28 572 TYR 29 573 CYS 30 574 ILE 31 575 GLU 32 576 THR 33 577 GLY 34 578 ALA 35 579 PRO 36 580 ASP 37 581 GLY 38 582 SER 39 583 PHE 40 584 LEU 41 585 VAL 42 586 ARG 43 587 GLU 44 588 SER 45 589 GLU 46 590 THR 47 591 PHE 48 592 VAL 49 593 GLY 50 594 ASP 51 595 TYR 52 596 THR 53 597 LEU 54 598 SER 55 599 PHE 56 600 TRP 57 601 ARG 58 602 ASN 59 603 GLY 60 604 LYS 61 605 VAL 62 606 GLN 63 607 HIS 64 608 CYS 65 609 ARG 66 610 ILE 67 611 HIS 68 612 SER 69 613 ARG 70 614 GLN 71 615 ASP 72 616 ALA 73 617 GLY 74 618 THR 75 619 PRO 76 620 LYS 77 621 PHE 78 622 PHE 79 623 LEU 80 624 THR 81 625 ASP 82 626 ASN 83 627 LEU 84 628 VAL 85 629 PHE 86 630 ASP 87 631 SER 88 632 LEU 89 633 TYR 90 634 ASP 91 635 LEU 92 636 ILE 93 637 THR 94 638 HIS 95 639 TYR 96 640 GLN 97 641 GLN 98 642 VAL 99 643 PRO 100 644 LEU 101 645 ARG 102 646 CYS 103 647 ASN 104 648 GLU 105 649 PHE 106 650 GLU 107 651 MET 108 652 ARG 109 653 LEU 110 654 SER 111 655 GLU 112 656 PRO 113 657 VAL 114 658 PRO 115 659 GLN 116 660 THR 117 661 ASN 118 662 ALA 119 663 HIS 120 664 GLU 121 665 SER 122 666 LYS 123 667 GLU 124 668 TRP 125 669 TYR 126 670 HIS 127 671 ALA 128 672 SER 129 673 LEU 130 674 THR 131 675 ARG 132 676 ALA 133 677 GLN 134 678 ALA 135 679 GLU 136 680 HIS 137 681 MET 138 682 LEU 139 683 MET 140 684 ARG 141 685 VAL 142 686 PRO 143 687 ARG 144 688 ASP 145 689 GLY 146 690 ALA 147 691 PHE 148 692 LEU 149 693 VAL 150 694 ARG 151 695 LYS 152 696 ARG 153 697 ASN 154 698 GLU 155 699 PRO 156 700 ASN 157 701 SER 158 702 TYR 159 703 ALA 160 704 ILE 161 705 SER 162 706 PHE 163 707 ARG 164 708 ALA 165 709 GLU 166 710 GLY 167 711 LYS 168 712 ILE 169 713 LYS 170 714 HIS 171 715 CYS 172 716 ARG 173 717 VAL 174 718 GLN 175 719 GLN 176 720 GLU 177 721 GLY 178 722 GLN 179 723 THR 180 724 VAL 181 725 MET 182 726 LEU 183 727 GLY 184 728 ASN 185 729 SER 186 730 GLU 187 731 PHE 188 732 ASP 189 733 SER 190 734 LEU 191 735 VAL 192 736 ASP 193 737 LEU 194 738 ILE 195 739 SER 196 740 TYR 197 741 TYR 198 742 GLU 199 743 LYS 200 744 HIS 201 745 PRO 202 746 LEU 203 747 TYR 204 748 ARG 205 749 LYS 206 750 MET 207 751 LYS 208 752 LEU 209 753 ARG 210 754 TYR 211 755 PRO 212 756 ILE 213 757 ASN 214 758 GLU 215 759 GLU 216 760 ALA 217 761 LEU 218 762 GLU 219 763 LYS 220 764 ILE 221 765 GLY 222 766 THR 223 767 ALA 224 768 GLU 225 769 PRO 226 770 ASP 227 771 PHE 228 772 GLY 229 773 ALA 230 774 LEU 231 775 PHE 232 776 GLU 233 777 GLY 234 778 ARG 235 779 ASN 236 780 PRO 237 781 GLY 238 782 PHE 239 783 TYR 240 784 VAL 241 785 GLU 242 786 ALA 243 787 ASN 244 788 PRO 245 789 MET 246 790 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_pY783_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pY783_peptide _Molecular_mass . _Mol_thiol_state 'all free' _Details ; Details of sequences see (accepted, now in press) paper in Biophys J. These are all variations of NSH2CSH2 constructs. ; _Residue_count 13 _Mol_residue_sequence ; NPGFpYVEANPMP ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 PRO 3 GLY 4 PHE 5 PRO 6 TYR 7 VAL 8 GLU 9 ALA 10 ASN 11 PRO 12 MET 13 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 $phospholipase_Cg1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $phospholipase_Cg1 'recombinant technology' . Escherichia coli . pOPINS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Please refer to the paper.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $phospholipase_Cg1 200 mM 150 250 '[U-13C; U-15N]' $phospholipase_Cg1 175 uM 100 250 '[U-13C; U-15N; U-2H]' $phospholipase_Cg1 175 uM 100 250 '[U-13C; U-15N]' Na2HPO4/NaH2PO4 25 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'And other spectrometers. It is all written in the paper.' 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' 0.075 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_backbone_resonance_assignments _Saveframe_category chemical_shift_reference _Details 'please refer to the paper.' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.771 na indirect . . . 0.25145 water H 1 protons ppm 4.771 na direct . . . 1 water N 15 protons ppm 4.771 na indirect . . . 0.10133 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_NSH2CSH2 _Saveframe_category assigned_chemical_shifts _Details 'please refer to the paper for more information.' 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 $backbone_resonance_assignments _Mol_system_component_name 'PLCg1 tandem SH2' _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 1 546 2 SER C C 173.97 . 1 2 546 2 SER CA C 58.9 . 1 3 547 3 ASN H H 8.69 . 1 4 547 3 ASN C C 175.07 . 1 5 547 3 ASN CA C 53.2 . 1 6 547 3 ASN CB C 39 . 1 7 547 3 ASN N N 120.332 . 1 8 548 4 GLU H H 7.974 . 1 9 548 4 GLU C C 178.17 . 1 10 548 4 GLU CA C 55.7 . 1 11 548 4 GLU N N 119.902 . 1 12 549 5 LYS H H 8.744 . 1 13 549 5 LYS C C 175.54 . 1 14 549 5 LYS CA C 59 . 1 15 549 5 LYS N N 121.882 . 1 16 550 6 TRP C C 175.51 . 1 17 550 6 TRP CA C 53.7 . 1 18 551 7 PHE H H 7.673 . 1 19 551 7 PHE C C 174.38 . 1 20 551 7 PHE CA C 58.6 . 1 21 551 7 PHE CB C 38.3 . 1 22 551 7 PHE N N 123.362 . 1 23 555 11 LEU C C 177.67 . 1 24 555 11 LEU CA C 55 . 1 25 556 12 GLY H H 8.813 . 1 26 556 12 GLY C C 173.48 . 1 27 556 12 GLY CA C 45.5 . 1 28 556 12 GLY N N 110.562 . 1 29 557 13 ALA H H 8.562 . 1 30 557 13 ALA C C 178.11 . 1 31 557 13 ALA CA C 52.7 . 1 32 557 13 ALA CB C 18.9 . 1 33 557 13 ALA N N 122.442 . 1 34 558 14 GLY H H 8.591 . 1 35 558 14 GLY C C 174.59 . 1 36 558 14 GLY CA C 45.9 . 1 37 558 14 GLY N N 108.672 . 1 38 559 15 ARG H H 8.186 . 1 39 559 15 ARG C C 175.61 . 1 40 559 15 ARG CA C 55.7 . 1 41 559 15 ARG N N 121.052 . 1 42 560 16 ASP H H 8.479 . 1 43 560 16 ASP CA C 54.5 . 1 44 560 16 ASP CB C 41.7 . 1 45 560 16 ASP N N 119.272 . 1 46 561 17 GLY H H 8.809 . 1 47 561 17 GLY CA C 47.6 . 1 48 561 17 GLY N N 110.102 . 1 49 562 18 ARG H H 8.577 . 1 50 562 18 ARG CA C 60 . 1 51 562 18 ARG N N 122.052 . 1 52 565 21 ALA H H 7.998 . 1 53 565 21 ALA CA C 55.4 . 1 54 565 21 ALA N N 119.912 . 1 55 566 22 GLU H H 8.396 . 1 56 566 22 GLU C C 179.23 . 1 57 566 22 GLU CA C 60.2 . 1 58 566 22 GLU CB C 28.7 . 1 59 566 22 GLU N N 115.482 . 1 60 567 23 ARG H H 8.078 . 1 61 567 23 ARG C C 177.8 . 1 62 567 23 ARG CA C 59.7 . 1 63 567 23 ARG CB C 29.4 . 1 64 567 23 ARG N N 123.022 . 1 65 568 24 LEU H H 8.478 . 1 66 568 24 LEU C C 180.39 . 1 67 568 24 LEU CA C 58.4 . 1 68 568 24 LEU CB C 41.8 . 1 69 568 24 LEU N N 120.482 . 1 70 569 25 LEU H H 8.405 . 1 71 569 25 LEU C C 177.86 . 1 72 569 25 LEU CA C 58.6 . 1 73 569 25 LEU CB C 42.5 . 1 74 569 25 LEU N N 119.242 . 1 75 570 26 THR H H 8.073 . 1 76 570 26 THR C C 175.15 . 1 77 570 26 THR CA C 67.2 . 1 78 570 26 THR CB C 69.4 . 1 79 570 26 THR N N 116.132 . 1 80 571 27 GLU H H 8.22 . 1 81 571 27 GLU C C 178.67 . 1 82 571 27 GLU CA C 59.8 . 1 83 571 27 GLU CB C 29.2 . 1 84 571 27 GLU N N 118.732 . 1 85 572 28 TYR H H 7.923 . 1 86 572 28 TYR C C 179.35 . 1 87 572 28 TYR CA C 62.1 . 1 88 572 28 TYR CB C 39.2 . 1 89 572 28 TYR N N 118.112 . 1 90 573 29 CYS H H 8.507 . 1 91 573 29 CYS C C 178.06 . 1 92 573 29 CYS CA C 63.8 . 1 93 573 29 CYS N N 118.672 . 1 94 574 30 ILE H H 8.081 . 1 95 574 30 ILE C C 178.74 . 1 96 574 30 ILE CA C 64.3 . 1 97 574 30 ILE CB C 37.1 . 1 98 574 30 ILE N N 120.782 . 1 99 575 31 GLU H H 7.924 . 1 100 575 31 GLU C C 178.51 . 1 101 575 31 GLU CA C 59.4 . 1 102 575 31 GLU CB C 29.4 . 1 103 575 31 GLU N N 119.062 . 1 104 576 32 THR H H 7.557 . 1 105 576 32 THR C C 176.01 . 1 106 576 32 THR CA C 61.9 . 1 107 576 32 THR CB C 70.9 . 1 108 576 32 THR N N 104.332 . 1 109 577 33 GLY H H 7.426 . 1 110 577 33 GLY C C 174.66 . 1 111 577 33 GLY CA C 46.9 . 1 112 577 33 GLY N N 112.472 . 1 113 578 34 ALA H H 7.251 . 1 114 578 34 ALA C C 175.11 . 1 115 578 34 ALA CA C 51.1 . 1 116 578 34 ALA CB C 19.1 . 1 117 578 34 ALA N N 123.152 . 1 118 579 35 PRO C C 178.27 . 1 119 579 35 PRO CA C 62.3 . 1 120 580 36 ASP H H 9.024 . 1 121 580 36 ASP C C 178.89 . 1 122 580 36 ASP CA C 56.6 . 1 123 580 36 ASP CB C 40.3 . 1 124 580 36 ASP N N 121.812 . 1 125 581 37 GLY H H 10.619 . 1 126 581 37 GLY C C 175.03 . 1 127 581 37 GLY CA C 45.8 . 1 128 581 37 GLY N N 114.302 . 1 129 582 38 SER H H 7.85 . 1 130 582 38 SER CA C 62.3 . 1 131 582 38 SER N N 122.992 . 1 132 583 39 PHE H H 8.316 . 1 133 583 39 PHE C C 171.23 . 1 134 583 39 PHE CA C 57.4 . 1 135 583 39 PHE N N 119.602 . 1 136 584 40 LEU H H 9.097 . 1 137 584 40 LEU C C 174.56 . 1 138 584 40 LEU CA C 54.5 . 1 139 584 40 LEU CB C 44.8 . 1 140 584 40 LEU N N 114.332 . 1 141 585 41 VAL H H 9.235 . 1 142 585 41 VAL C C 173.02 . 1 143 585 41 VAL CA C 61.4 . 1 144 585 41 VAL CB C 35.3 . 1 145 585 41 VAL N N 119.622 . 1 146 586 42 ARG C C 174.52 . 1 147 586 42 ARG CA C 53.2 . 1 148 586 42 ARG CB C 33.9 . 1 149 587 43 GLU H H 8.729 . 1 150 587 43 GLU C C 175.96 . 1 151 587 43 GLU CA C 58.8 . 1 152 587 43 GLU CB C 33.5 . 1 153 587 43 GLU N N 121.872 . 1 154 588 44 SER H H 8.043 . 1 155 588 44 SER C C 176.49 . 1 156 588 44 SER CA C 57.9 . 1 157 588 44 SER CB C 63.5 . 1 158 588 44 SER N N 117.382 . 1 159 589 45 GLU H H 10.218 . 1 160 589 45 GLU C C 177.21 . 1 161 589 45 GLU N N 128.612 . 1 162 590 46 THR H H 8.396 . 1 163 590 46 THR C C 174.13 . 1 164 590 46 THR CA C 65.1 . 1 165 590 46 THR N N 115.832 . 1 166 591 47 PHE H H 7.946 . 1 167 591 47 PHE C C 174.26 . 1 168 591 47 PHE CA C 56.2 . 1 169 591 47 PHE CB C 39 . 1 170 591 47 PHE N N 123.782 . 1 171 592 48 VAL H H 8.018 . 1 172 592 48 VAL C C 177.93 . 1 173 592 48 VAL CA C 65.2 . 1 174 592 48 VAL CB C 30.9 . 1 175 592 48 VAL N N 123.272 . 1 176 593 49 GLY H H 9.005 . 1 177 593 49 GLY C C 173.15 . 1 178 593 49 GLY CA C 45.3 . 1 179 593 49 GLY N N 118.392 . 1 180 594 50 ASP H H 7.977 . 1 181 594 50 ASP C C 176.02 . 1 182 594 50 ASP CA C 53.1 . 1 183 594 50 ASP CB C 41.9 . 1 184 594 50 ASP N N 120.232 . 1 185 595 51 TYR H H 8.889 . 1 186 595 51 TYR C C 174.16 . 1 187 595 51 TYR CA C 57.4 . 1 188 595 51 TYR CB C 42.1 . 1 189 595 51 TYR N N 116.832 . 1 190 596 52 THR H H 9.603 . 1 191 596 52 THR C C 173.13 . 1 192 596 52 THR CA C 62.4 . 1 193 596 52 THR CB C 70.5 . 1 194 596 52 THR N N 118.832 . 1 195 597 53 LEU H H 9.395 . 1 196 597 53 LEU C C 174.43 . 1 197 597 53 LEU N N 132.412 . 1 198 598 54 SER H H 9.165 . 1 199 598 54 SER C C 172.43 . 1 200 598 54 SER CA C 57.9 . 1 201 598 54 SER CB C 64.6 . 1 202 598 54 SER N N 124.962 . 1 203 599 55 PHE H H 8.842 . 1 204 599 55 PHE C C 172.48 . 1 205 599 55 PHE CA C 55.3 . 1 206 599 55 PHE CB C 42.7 . 1 207 599 55 PHE N N 118.362 . 1 208 600 56 TRP H H 8.945 . 1 209 600 56 TRP C C 175.46 . 1 210 600 56 TRP CA C 55.5 . 1 211 600 56 TRP N N 123.042 . 1 212 601 57 ARG H H 8.873 . 1 213 601 57 ARG C C 174.99 . 1 214 601 57 ARG CA C 56 . 1 215 601 57 ARG CB C 31.7 . 1 216 601 57 ARG N N 127.332 . 1 217 602 58 ASN H H 9.399 . 1 218 602 58 ASN C C 175.1 . 1 219 602 58 ASN CA C 53.8 . 1 220 602 58 ASN CB C 37.3 . 1 221 602 58 ASN N N 128.452 . 1 222 603 59 GLY H H 6.974 . 1 223 603 59 GLY C C 172.26 . 1 224 603 59 GLY CA C 45.7 . 1 225 603 59 GLY N N 102.082 . 1 226 604 60 LYS H H 6.797 . 1 227 604 60 LYS C C 172.99 . 1 228 604 60 LYS CA C 55 . 1 229 604 60 LYS CB C 35.5 . 1 230 604 60 LYS N N 118.622 . 1 231 605 61 VAL H H 8.255 . 1 232 605 61 VAL CA C 61.5 . 1 233 605 61 VAL CB C 32.4 . 1 234 605 61 VAL N N 119.952 . 1 235 606 62 GLN H H 8.583 . 1 236 606 62 GLN C C 172.94 . 1 237 606 62 GLN CA C 53.1 . 1 238 606 62 GLN CB C 30.5 . 1 239 606 62 GLN N N 126.862 . 1 240 607 63 HIS H H 8.236 . 1 241 607 63 HIS C C 176.51 . 1 242 607 63 HIS CA C 54.8 . 1 243 607 63 HIS CB C 33.9 . 1 244 607 63 HIS N N 118.562 . 1 245 608 64 CYS H H 9.821 . 1 246 608 64 CYS C C 172.56 . 1 247 608 64 CYS CA C 57.6 . 1 248 608 64 CYS CB C 31.6 . 1 249 608 64 CYS N N 121.152 . 1 250 609 65 ARG H H 8.776 . 1 251 609 65 ARG C C 174.69 . 1 252 609 65 ARG CA C 56.8 . 1 253 609 65 ARG CB C 31.6 . 1 254 609 65 ARG N N 126.812 . 1 255 610 66 ILE H H 9.127 . 1 256 610 66 ILE C C 175.19 . 1 257 610 66 ILE CA C 60.8 . 1 258 610 66 ILE CB C 38.5 . 1 259 610 66 ILE N N 126.532 . 1 260 611 67 HIS H H 8.611 . 1 261 611 67 HIS C C 174.41 . 1 262 611 67 HIS CA C 55.5 . 1 263 611 67 HIS CB C 29.7 . 1 264 611 67 HIS N N 126.142 . 1 265 612 68 SER H H 8.434 . 1 266 612 68 SER C C 174.42 . 1 267 612 68 SER CA C 56.3 . 1 268 612 68 SER CB C 65.9 . 1 269 612 68 SER N N 115.532 . 1 270 613 69 ARG H H 8.597 . 1 271 613 69 ARG C C 174.51 . 1 272 613 69 ARG CA C 54.9 . 1 273 613 69 ARG CB C 33.4 . 1 274 613 69 ARG N N 123.692 . 1 275 614 70 GLN H H 8.742 . 1 276 614 70 GLN C C 175.18 . 1 277 614 70 GLN CA C 55.2 . 1 278 614 70 GLN CB C 29.6 . 1 279 614 70 GLN N N 122.162 . 1 280 615 71 ASP H H 8.527 . 1 281 615 71 ASP C C 175.46 . 1 282 615 71 ASP CA C 53.8 . 1 283 615 71 ASP CB C 41.6 . 1 284 615 71 ASP N N 123.972 . 1 285 616 72 ALA H H 8.884 . 1 286 616 72 ALA C C 177.66 . 1 287 616 72 ALA CA C 52.9 . 1 288 616 72 ALA CB C 17.6 . 1 289 616 72 ALA N N 127.082 . 1 290 617 73 GLY H H 8.332 . 1 291 617 73 GLY C C 174.06 . 1 292 617 73 GLY CA C 45.5 . 1 293 617 73 GLY N N 105.732 . 1 294 618 74 THR H H 7.822 . 1 295 618 74 THR C C 172.01 . 1 296 618 74 THR CA C 59.5 . 1 297 618 74 THR CB C 70.3 . 1 298 618 74 THR N N 116.702 . 1 299 619 75 PRO C C 175.18 . 1 300 620 76 LYS H H 8.121 . 1 301 620 76 LYS C C 175.71 . 1 302 620 76 LYS CA C 53.6 . 1 303 620 76 LYS CB C 36.1 . 1 304 620 76 LYS N N 118.802 . 1 305 621 77 PHE H H 9.067 . 1 306 621 77 PHE C C 176.18 . 1 307 621 77 PHE CA C 56.6 . 1 308 621 77 PHE CB C 43.5 . 1 309 621 77 PHE N N 117.292 . 1 310 622 78 PHE H H 8.92 . 1 311 622 78 PHE C C 173.42 . 1 312 622 78 PHE CA C 57.8 . 1 313 622 78 PHE CB C 40.5 . 1 314 622 78 PHE N N 116.072 . 1 315 623 79 LEU H H 10.105 . 1 316 623 79 LEU C C 177.81 . 1 317 623 79 LEU N N 121.882 . 1 318 624 80 THR H H 8.818 . 1 319 624 80 THR C C 174.12 . 1 320 624 80 THR CA C 60 . 1 321 624 80 THR N N 113.332 . 1 322 625 81 ASP H H 8.533 . 1 323 625 81 ASP C C 175.18 . 1 324 625 81 ASP CA C 56.3 . 1 325 625 81 ASP CB C 39.5 . 1 326 625 81 ASP N N 122.152 . 1 327 626 82 ASN H H 7.94 . 1 328 626 82 ASN C C 174.54 . 1 329 626 82 ASN CA C 53.6 . 1 330 626 82 ASN CB C 38 . 1 331 626 82 ASN N N 114.132 . 1 332 627 83 LEU H H 7.685 . 1 333 627 83 LEU C C 172.42 . 1 334 627 83 LEU CA C 55.1 . 1 335 627 83 LEU CB C 42.9 . 1 336 627 83 LEU N N 124.902 . 1 337 628 84 VAL H H 7.861 . 1 338 628 84 VAL C C 175.27 . 1 339 628 84 VAL CA C 60.2 . 1 340 628 84 VAL CB C 33.6 . 1 341 628 84 VAL N N 120.692 . 1 342 629 85 PHE H H 9.353 . 1 343 629 85 PHE C C 175.96 . 1 344 629 85 PHE CA C 57.5 . 1 345 629 85 PHE N N 122.192 . 1 346 630 86 ASP H H 9.92 . 1 347 630 86 ASP C C 175.57 . 1 348 630 86 ASP CA C 55.6 . 1 349 630 86 ASP CB C 41.6 . 1 350 630 86 ASP N N 119.902 . 1 351 631 87 SER H H 7.67 . 1 352 631 87 SER C C 173.61 . 1 353 631 87 SER CA C 57.2 . 1 354 631 87 SER CB C 66.3 . 1 355 631 87 SER N N 108.642 . 1 356 632 88 LEU H H 8.482 . 1 357 632 88 LEU C C 177.82 . 1 358 632 88 LEU CA C 57.2 . 1 359 632 88 LEU N N 122.652 . 1 360 633 89 TYR H H 8.633 . 1 361 633 89 TYR C C 177.9 . 1 362 633 89 TYR CA C 62.4 . 1 363 633 89 TYR N N 119.032 . 1 364 634 90 ASP H H 8.323 . 1 365 634 90 ASP C C 177.29 . 1 366 634 90 ASP CA C 57.4 . 1 367 634 90 ASP N N 122.012 . 1 368 635 91 LEU H H 6.964 . 1 369 635 91 LEU C C 176.84 . 1 370 635 91 LEU CA C 58.8 . 1 371 635 91 LEU N N 122.932 . 1 372 636 92 ILE H H 8.054 . 1 373 636 92 ILE C C 177.1 . 1 374 636 92 ILE CA C 61.5 . 1 375 636 92 ILE N N 119.352 . 1 376 637 93 THR H H 7.729 . 1 377 637 93 THR C C 177.44 . 1 378 637 93 THR CA C 66.1 . 1 379 637 93 THR N N 112.712 . 1 380 638 94 HIS H H 7.451 . 1 381 638 94 HIS C C 177.38 . 1 382 638 94 HIS CA C 60.7 . 1 383 638 94 HIS CB C 29.8 . 1 384 638 94 HIS N N 120.412 . 1 385 639 95 TYR H H 7.373 . 1 386 639 95 TYR C C 175.53 . 1 387 639 95 TYR CA C 60.2 . 1 388 639 95 TYR CB C 36.9 . 1 389 639 95 TYR N N 115.742 . 1 390 640 96 GLN H H 7.321 . 1 391 640 96 GLN C C 177.55 . 1 392 640 96 GLN CA C 56.9 . 1 393 640 96 GLN CB C 30.1 . 1 394 640 96 GLN N N 115.652 . 1 395 641 97 GLN H H 7.542 . 1 396 641 97 GLN C C 175.68 . 1 397 641 97 GLN CA C 56.9 . 1 398 641 97 GLN CB C 30.2 . 1 399 641 97 GLN N N 118.662 . 1 400 642 98 VAL H H 8.208 . 1 401 642 98 VAL C C 171.62 . 1 402 642 98 VAL CA C 58.5 . 1 403 642 98 VAL CB C 33.8 . 1 404 642 98 VAL N N 121.142 . 1 405 643 99 PRO C C 177.33 . 1 406 643 99 PRO CA C 63.2 . 1 407 644 100 LEU H H 8.309 . 1 408 644 100 LEU C C 175.58 . 1 409 644 100 LEU CA C 54.4 . 1 410 644 100 LEU N N 121.292 . 1 411 645 101 ARG H H 8.093 . 1 412 645 101 ARG C C 175.16 . 1 413 645 101 ARG CA C 55.3 . 1 414 645 101 ARG CB C 31.1 . 1 415 645 101 ARG N N 121.922 . 1 416 646 102 CYS H H 8.237 . 1 417 646 102 CYS C C 172.51 . 1 418 646 102 CYS CA C 57.2 . 1 419 646 102 CYS CB C 28.7 . 1 420 646 102 CYS N N 124.872 . 1 421 647 103 ASN H H 8.826 . 1 422 647 103 ASN C C 175.11 . 1 423 647 103 ASN CA C 55.8 . 1 424 647 103 ASN N N 121.632 . 1 425 648 104 GLU H H 8.701 . 1 426 648 104 GLU C C 175.49 . 1 427 648 104 GLU CA C 57.3 . 1 428 648 104 GLU CB C 29.2 . 1 429 648 104 GLU N N 117.702 . 1 430 649 105 PHE H H 7.596 . 1 431 649 105 PHE C C 172.68 . 1 432 649 105 PHE CA C 56.4 . 1 433 649 105 PHE CB C 41.7 . 1 434 649 105 PHE N N 117.572 . 1 435 650 106 GLU H H 8.448 . 1 436 650 106 GLU C C 175.73 . 1 437 650 106 GLU CA C 54.6 . 1 438 650 106 GLU CB C 32.6 . 1 439 650 106 GLU N N 118.762 . 1 440 651 107 MET H H 8.818 . 1 441 651 107 MET C C 173.63 . 1 442 651 107 MET CA C 55.3 . 1 443 651 107 MET CB C 36.9 . 1 444 651 107 MET N N 122.772 . 1 445 652 108 ARG H H 8.458 . 1 446 652 108 ARG C C 176.68 . 1 447 652 108 ARG CA C 55.6 . 1 448 652 108 ARG CB C 31.2 . 1 449 652 108 ARG N N 126.662 . 1 450 653 109 LEU H H 8.432 . 1 451 653 109 LEU C C 176.66 . 1 452 653 109 LEU CA C 54.6 . 1 453 653 109 LEU CB C 40.8 . 1 454 653 109 LEU N N 123.592 . 1 455 654 110 SER H H 8.21 . 1 456 654 110 SER C C 174.71 . 1 457 654 110 SER CA C 56.7 . 1 458 654 110 SER CB C 64.1 . 1 459 654 110 SER N N 115.682 . 1 460 655 111 GLU H H 8.06 . 1 461 655 111 GLU C C 173.54 . 1 462 655 111 GLU CA C 54.1 . 1 463 655 111 GLU CB C 31 . 1 464 655 111 GLU N N 125.702 . 1 465 656 112 PRO C C 175.91 . 1 466 656 112 PRO CA C 61.1 . 1 467 657 113 VAL H H 8.306 . 1 468 657 113 VAL C C 173.64 . 1 469 657 113 VAL CA C 59.7 . 1 470 657 113 VAL CB C 32.8 . 1 471 657 113 VAL N N 126.122 . 1 472 658 114 PRO CA C 62.1 . 1 473 659 115 GLN H H 8.325 . 1 474 659 115 GLN C C 176.49 . 1 475 659 115 GLN CA C 55.6 . 1 476 659 115 GLN N N 119.662 . 1 477 660 116 THR H H 8.219 . 1 478 660 116 THR CA C 63 . 1 479 660 116 THR N N 117.812 . 1 480 667 123 GLU C C 175.59 . 1 481 668 124 TRP H H 6.257 . 1 482 668 124 TRP C C 175.47 . 1 483 668 124 TRP CA C 53.4 . 1 484 668 124 TRP N N 109.192 . 1 485 669 125 TYR H H 7.461 . 1 486 669 125 TYR C C 174.03 . 1 487 669 125 TYR CA C 53.5 . 1 488 669 125 TYR CB C 41.2 . 1 489 669 125 TYR N N 122.432 . 1 490 670 126 HIS H H 8.498 . 1 491 670 126 HIS C C 173.64 . 1 492 670 126 HIS CA C 54.9 . 1 493 670 126 HIS CB C 33.5 . 1 494 670 126 HIS N N 128.272 . 1 495 671 127 ALA H H 8.43 . 1 496 671 127 ALA C C 178.26 . 1 497 671 127 ALA CA C 54.1 . 1 498 671 127 ALA N N 126.072 . 1 499 672 128 SER H H 8.384 . 1 500 672 128 SER C C 172.83 . 1 501 672 128 SER CA C 56.4 . 1 502 672 128 SER CB C 63.3 . 1 503 672 128 SER N N 112.132 . 1 504 673 129 LEU H H 8.312 . 1 505 673 129 LEU C C 175.81 . 1 506 673 129 LEU CA C 54.9 . 1 507 673 129 LEU N N 127.792 . 1 508 674 130 THR H H 8.865 . 1 509 674 130 THR C C 175.24 . 1 510 674 130 THR CA C 61.2 . 1 511 674 130 THR CB C 71.5 . 1 512 674 130 THR N N 118.012 . 1 513 675 131 ARG H H 9.342 . 1 514 675 131 ARG C C 177.78 . 1 515 675 131 ARG CA C 60.6 . 1 516 675 131 ARG N N 122.422 . 1 517 676 132 ALA H H 8.429 . 1 518 676 132 ALA C C 181.17 . 1 519 676 132 ALA CA C 55.4 . 1 520 676 132 ALA N N 119.592 . 1 521 677 133 GLN H H 7.815 . 1 522 677 133 GLN C C 179.35 . 1 523 677 133 GLN CA C 58.7 . 1 524 677 133 GLN CB C 28.7 . 1 525 677 133 GLN N N 118.122 . 1 526 678 134 ALA H H 8.615 . 1 527 678 134 ALA C C 179.3 . 1 528 678 134 ALA CA C 55.1 . 1 529 678 134 ALA N N 122.572 . 1 530 679 135 GLU H H 8.67 . 1 531 679 135 GLU C C 177.51 . 1 532 679 135 GLU CA C 60.7 . 1 533 679 135 GLU N N 116.422 . 1 534 680 136 HIS H H 8.067 . 1 535 680 136 HIS CA C 60.7 . 1 536 680 136 HIS N N 118.342 . 1 537 681 137 MET H H 7.694 . 1 538 681 137 MET C C 177.86 . 1 539 681 137 MET CA C 59.9 . 1 540 681 137 MET N N 115.952 . 1 541 682 138 LEU H H 8.058 . 1 542 682 138 LEU C C 179.9 . 1 543 682 138 LEU CA C 57.6 . 1 544 682 138 LEU N N 115.762 . 1 545 687 143 ARG C C 175.21 . 1 546 687 143 ARG CB C 33.7 . 1 547 688 144 ASP H H 8.707 . 1 548 688 144 ASP CA C 55.2 . 1 549 688 144 ASP CB C 40.8 . 1 550 688 144 ASP N N 124.222 . 1 551 689 145 GLY H H 9.584 . 1 552 689 145 GLY C C 176.26 . 1 553 689 145 GLY N N 108.952 . 1 554 690 146 ALA H H 7.725 . 1 555 690 146 ALA C C 176.43 . 1 556 690 146 ALA CA C 52.1 . 1 557 690 146 ALA N N 125.432 . 1 558 691 147 PHE H H 8.826 . 1 559 691 147 PHE C C 170.53 . 1 560 691 147 PHE CA C 56.4 . 1 561 691 147 PHE N N 118.902 . 1 562 692 148 LEU H H 9.348 . 1 563 692 148 LEU C C 174.62 . 1 564 692 148 LEU CA C 54.9 . 1 565 692 148 LEU CB C 44.4 . 1 566 692 148 LEU N N 114.742 . 1 567 693 149 VAL H H 9.786 . 1 568 693 149 VAL C C 173.4 . 1 569 693 149 VAL CA C 61.1 . 1 570 693 149 VAL N N 120.802 . 1 571 694 150 ARG H H 9.576 . 1 572 694 150 ARG C C 175.24 . 1 573 694 150 ARG CA C 51.7 . 1 574 694 150 ARG N N 122.372 . 1 575 695 151 LYS H H 7.924 . 1 576 695 151 LYS C C 177.45 . 1 577 695 151 LYS CA C 57.8 . 1 578 695 151 LYS CB C 32.5 . 1 579 695 151 LYS N N 124.872 . 1 580 696 152 ARG H H 8.143 . 1 581 696 152 ARG CA C 56.5 . 1 582 696 152 ARG N N 127.502 . 1 583 697 153 ASN H H 8.627 . 1 584 697 153 ASN C C 175.77 . 1 585 697 153 ASN CA C 54.7 . 1 586 697 153 ASN N N 118.232 . 1 587 698 154 GLU H H 7.405 . 1 588 698 154 GLU C C 173.5 . 1 589 698 154 GLU CB C 30.3 . 1 590 698 154 GLU N N 119.752 . 1 591 700 156 ASN C C 172.95 . 1 592 701 157 SER H H 7.664 . 1 593 701 157 SER C C 173.03 . 1 594 701 157 SER CA C 58.1 . 1 595 701 157 SER CB C 66.3 . 1 596 701 157 SER N N 109.162 . 1 597 702 158 TYR H H 9.151 . 1 598 702 158 TYR C C 173.61 . 1 599 702 158 TYR CA C 56.5 . 1 600 702 158 TYR CB C 42.7 . 1 601 702 158 TYR N N 123.462 . 1 602 703 159 ALA H H 9.52 . 1 603 703 159 ALA C C 176.22 . 1 604 703 159 ALA CA C 50.9 . 1 605 703 159 ALA N N 121.212 . 1 606 704 160 ILE H H 9.126 . 1 607 704 160 ILE C C 175.57 . 1 608 704 160 ILE CA C 60.8 . 1 609 704 160 ILE N N 121.022 . 1 610 705 161 SER H H 9.256 . 1 611 705 161 SER CA C 58.4 . 1 612 705 161 SER N N 126.162 . 1 613 706 162 PHE H H 8.689 . 1 614 706 162 PHE C C 171.98 . 1 615 706 162 PHE CA C 56 . 1 616 706 162 PHE N N 121.052 . 1 617 707 163 ARG H H 8.193 . 1 618 707 163 ARG CA C 54.3 . 1 619 707 163 ARG N N 118.682 . 1 620 708 164 ALA H H 9.046 . 1 621 708 164 ALA CA C 51.8 . 1 622 708 164 ALA N N 126.252 . 1 623 709 165 GLU H H 9.491 . 1 624 709 165 GLU C C 176.73 . 1 625 709 165 GLU N N 123.132 . 1 626 710 166 GLY H H 9.49 . 1 627 710 166 GLY N N 105.712 . 1 628 712 168 ILE C C 175.24 . 1 629 712 168 ILE CA C 60.2 . 1 630 713 169 LYS H H 8.402 . 1 631 713 169 LYS CA C 53.4 . 1 632 713 169 LYS N N 128.622 . 1 633 715 171 CYS H H 9.527 . 1 634 715 171 CYS C C 173.58 . 1 635 715 171 CYS CA C 57.8 . 1 636 715 171 CYS N N 119.172 . 1 637 716 172 ARG H H 9.009 . 1 638 716 172 ARG CA C 56.8 . 1 639 716 172 ARG CB C 31.6 . 1 640 716 172 ARG N N 125.802 . 1 641 717 173 VAL H H 8.906 . 1 642 717 173 VAL C C 174.6 . 1 643 717 173 VAL CA C 61.1 . 1 644 717 173 VAL N N 124.402 . 1 645 718 174 GLN H H 8.661 . 1 646 718 174 GLN C C 174.5 . 1 647 718 174 GLN CA C 54.2 . 1 648 718 174 GLN CB C 32.4 . 1 649 718 174 GLN N N 125.872 . 1 650 719 175 GLN H H 8.775 . 1 651 719 175 GLN C C 174.55 . 1 652 719 175 GLN CA C 55.1 . 1 653 719 175 GLN CB C 30.3 . 1 654 719 175 GLN N N 125.512 . 1 655 720 176 GLU H H 8.782 . 1 656 720 176 GLU C C 175.74 . 1 657 720 176 GLU CA C 55.2 . 1 658 720 176 GLU CB C 30.4 . 1 659 720 176 GLU N N 129.902 . 1 660 721 177 GLY H H 8.963 . 1 661 721 177 GLY C C 175.11 . 1 662 721 177 GLY CA C 47.2 . 1 663 721 177 GLY N N 115.992 . 1 664 722 178 GLN H H 9.095 . 1 665 722 178 GLN C C 174.99 . 1 666 722 178 GLN CA C 56.1 . 1 667 722 178 GLN N N 126.112 . 1 668 723 179 THR H H 7.759 . 1 669 723 179 THR C C 173.23 . 1 670 723 179 THR CA C 61.9 . 1 671 723 179 THR CB C 71.5 . 1 672 723 179 THR N N 113.202 . 1 673 724 180 VAL H H 8.688 . 1 674 724 180 VAL C C 174.39 . 1 675 724 180 VAL CA C 60.1 . 1 676 724 180 VAL CB C 33.7 . 1 677 724 180 VAL N N 117.432 . 1 678 725 181 MET H H 9.094 . 1 679 725 181 MET C C 174.95 . 1 680 725 181 MET CA C 54.4 . 1 681 725 181 MET CB C 35.2 . 1 682 725 181 MET N N 121.462 . 1 683 726 182 LEU H H 8.574 . 1 684 726 182 LEU CA C 53.9 . 1 685 726 182 LEU N N 125.922 . 1 686 727 183 GLY C C 174.37 . 1 687 727 183 GLY CA C 47.6 . 1 688 728 184 ASN H H 8.906 . 1 689 728 184 ASN C C 175.02 . 1 690 728 184 ASN CA C 53.4 . 1 691 728 184 ASN N N 124.902 . 1 692 729 185 SER H H 8.304 . 1 693 729 185 SER C C 171.5 . 1 694 729 185 SER CA C 58.8 . 1 695 729 185 SER CB C 64.5 . 1 696 729 185 SER N N 118.112 . 1 697 730 186 GLU H H 8.042 . 1 698 730 186 GLU C C 174.61 . 1 699 730 186 GLU CA C 55.1 . 1 700 730 186 GLU CB C 32.7 . 1 701 730 186 GLU N N 124.292 . 1 702 731 187 PHE H H 9.133 . 1 703 731 187 PHE C C 175.43 . 1 704 731 187 PHE CA C 56.6 . 1 705 731 187 PHE N N 120.472 . 1 706 732 188 ASP H H 9.404 . 1 707 732 188 ASP C C 175.23 . 1 708 732 188 ASP CB C 41.2 . 1 709 732 188 ASP N N 119.472 . 1 710 733 189 SER H H 7.378 . 1 711 733 189 SER C C 174.29 . 1 712 733 189 SER CA C 57.4 . 1 713 733 189 SER CB C 65.4 . 1 714 733 189 SER N N 105.182 . 1 715 735 191 VAL C C 177.97 . 1 716 735 191 VAL CA C 67 . 1 717 736 192 ASP H H 7.816 . 1 718 736 192 ASP C C 177.76 . 1 719 736 192 ASP CA C 57.7 . 1 720 736 192 ASP N N 121.482 . 1 721 737 193 LEU H H 7.416 . 1 722 737 193 LEU C C 177.23 . 1 723 737 193 LEU CA C 59 . 1 724 737 193 LEU CB C 41.4 . 1 725 737 193 LEU N N 123.232 . 1 726 738 194 ILE H H 7.814 . 1 727 738 194 ILE C C 177.51 . 1 728 738 194 ILE CA C 61.6 . 1 729 738 194 ILE N N 119.232 . 1 730 739 195 SER H H 8.083 . 1 731 739 195 SER CB C 63.3 . 1 732 739 195 SER N N 112.342 . 1 733 741 197 TYR C C 177.41 . 1 734 742 198 GLU H H 7.238 . 1 735 742 198 GLU CA C 56.8 . 1 736 742 198 GLU CB C 30.7 . 1 737 742 198 GLU N N 117.282 . 1 738 743 199 LYS H H 7.11 . 1 739 743 199 LYS CA C 58 . 1 740 743 199 LYS CB C 32.7 . 1 741 743 199 LYS N N 117.652 . 1 742 745 201 PRO C C 177.81 . 1 743 745 201 PRO CA C 61.5 . 1 744 746 202 LEU H H 7.874 . 1 745 746 202 LEU C C 179.47 . 1 746 746 202 LEU CA C 63 . 1 747 746 202 LEU CB C 38.4 . 1 748 746 202 LEU N N 121.802 . 1 749 747 203 TYR H H 7.661 . 1 750 747 203 TYR C C 174.73 . 1 751 747 203 TYR CA C 61.3 . 1 752 747 203 TYR CB C 37.5 . 1 753 747 203 TYR N N 118.782 . 1 754 748 204 ARG H H 7.529 . 1 755 748 204 ARG C C 178.45 . 1 756 748 204 ARG CA C 57.6 . 1 757 748 204 ARG N N 117.522 . 1 758 749 205 LYS H H 7.083 . 1 759 749 205 LYS C C 174.79 . 1 760 749 205 LYS CA C 56.1 . 1 761 749 205 LYS N N 116.072 . 1 762 750 206 MET H H 7.627 . 1 763 750 206 MET C C 171.03 . 1 764 750 206 MET CA C 52.8 . 1 765 750 206 MET N N 119.362 . 1 766 755 211 PRO C C 176.81 . 1 767 755 211 PRO CA C 61.8 . 1 768 756 212 ILE H H 8.491 . 1 769 756 212 ILE CA C 59 . 1 770 756 212 ILE N N 122.712 . 1 771 757 213 ASN H H 7.209 . 1 772 757 213 ASN C C 174.54 . 1 773 757 213 ASN N N 121.282 . 1 774 758 214 GLU H H 9.514 . 1 775 758 214 GLU C C 178.47 . 1 776 758 214 GLU CA C 60.8 . 1 777 758 214 GLU N N 120.182 . 1 778 759 215 GLU H H 8.31 . 1 779 759 215 GLU C C 178.88 . 1 780 759 215 GLU CA C 59.7 . 1 781 759 215 GLU CB C 28.9 . 1 782 759 215 GLU N N 120.242 . 1 783 760 216 ALA H H 8.206 . 1 784 760 216 ALA C C 180.14 . 1 785 760 216 ALA CA C 54.7 . 1 786 760 216 ALA CB C 18.7 . 1 787 760 216 ALA N N 121.882 . 1 788 761 217 LEU H H 7.836 . 1 789 761 217 LEU CA C 57.6 . 1 790 761 217 LEU N N 116.672 . 1 791 762 218 GLU C C 177.63 . 1 792 763 219 LYS H H 7.588 . 1 793 763 219 LYS C C 178.2 . 1 794 763 219 LYS N N 117.412 . 1 795 765 221 GLY H H 7.835 . 1 796 765 221 GLY CA C 45.3 . 1 797 765 221 GLY N N 110.292 . 1 798 766 222 THR CA C 60.9 . 1 799 767 223 ALA CA C 53.5 . 1 800 769 225 PRO C C 174.8 . 1 801 770 226 ASP H H 7.695 . 1 802 770 226 ASP CA C 52.7 . 1 803 770 226 ASP N N 119.812 . 1 804 772 228 GLY H H 8.516 . 1 805 772 228 GLY CA C 46.2 . 1 806 772 228 GLY N N 109.092 . 1 807 773 229 ALA H H 7.822 . 1 808 773 229 ALA N N 122.992 . 1 809 776 232 GLU C C 176.7 . 1 810 777 233 GLY H H 7.97 . 1 811 777 233 GLY C C 173.95 . 1 812 777 233 GLY CA C 45.5 . 1 813 777 233 GLY N N 108.942 . 1 814 778 234 ARG H H 7.982 . 1 815 778 234 ARG CB C 30.2 . 1 816 778 234 ARG N N 119.492 . 1 817 779 235 ASN H H 8.424 . 1 818 779 235 ASN CA C 51.5 . 1 819 779 235 ASN N N 119.072 . 1 820 781 237 GLY H H 8.395 . 1 821 781 237 GLY CA C 45.3 . 1 822 781 237 GLY N N 108.442 . 1 823 786 242 ALA C C 177.58 . 1 824 787 243 ASN H H 8.504 . 1 825 787 243 ASN C C 173.24 . 1 826 787 243 ASN CB C 38.1 . 1 827 787 243 ASN N N 119.772 . 1 828 788 244 PRO C C 176.74 . 1 829 788 244 PRO CA C 62.8 . 1 830 789 245 MET H H 8.381 . 1 831 789 245 MET C C 173.73 . 1 832 789 245 MET CA C 53.7 . 1 833 789 245 MET CB C 32.3 . 1 834 789 245 MET N N 122.732 . 1 stop_ save_ save_NSH2CSH2PY783 _Saveframe_category assigned_chemical_shifts _Details 'please refer to the paper for more information.' 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 $backbone_resonance_assignments _Mol_system_component_name 'PLCg1 tandem SH2' _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 1 546 2 SER C C 173.99 . 1 2 546 2 SER CA C 58.9 . 1 3 547 3 ASN H H 8.688 . 1 4 547 3 ASN C C 175.04 . 1 5 547 3 ASN CA C 53.2 . 1 6 547 3 ASN N N 120.3 . 1 7 548 4 GLU H H 7.971 . 1 8 548 4 GLU C C 178.16 . 1 9 548 4 GLU CA C 55.7 . 1 10 548 4 GLU N N 119.88 . 1 11 549 5 LYS H H 8.738 . 1 12 549 5 LYS CA C 59 . 1 13 549 5 LYS N N 121.98 . 1 14 550 6 TRP C C 175.53 . 1 15 550 6 TRP CA C 53.6 . 1 16 551 7 PHE H H 7.676 . 1 17 551 7 PHE CA C 58.6 . 1 18 551 7 PHE N N 123.42 . 1 19 555 11 LEU C C 177.62 . 1 20 555 11 LEU CA C 55 . 1 21 556 12 GLY H H 8.795 . 1 22 556 12 GLY C C 173.45 . 1 23 556 12 GLY CA C 45.5 . 1 24 556 12 GLY N N 110.55 . 1 25 557 13 ALA H H 8.571 . 1 26 557 13 ALA C C 178.1 . 1 27 557 13 ALA CA C 52.7 . 1 28 557 13 ALA N N 122.48 . 1 29 558 14 GLY H H 8.588 . 1 30 558 14 GLY C C 174.63 . 1 31 558 14 GLY CA C 45.9 . 1 32 558 14 GLY N N 108.72 . 1 33 559 15 ARG H H 8.197 . 1 34 559 15 ARG C C 175.61 . 1 35 559 15 ARG CA C 55.7 . 1 36 559 15 ARG N N 121.05 . 1 37 560 16 ASP H H 8.479 . 1 38 560 16 ASP C C 176.54 . 1 39 560 16 ASP CA C 54.5 . 1 40 560 16 ASP N N 119.28 . 1 41 561 17 GLY H H 8.78 . 1 42 561 17 GLY CA C 47.6 . 1 43 561 17 GLY N N 110.08 . 1 44 562 18 ARG H H 8.559 . 1 45 562 18 ARG CA C 60 . 1 46 562 18 ARG N N 122.12 . 1 47 565 21 ALA H H 7.988 . 1 48 565 21 ALA CA C 55.4 . 1 49 565 21 ALA N N 119.89 . 1 50 566 22 GLU H H 8.401 . 1 51 566 22 GLU C C 179.22 . 1 52 566 22 GLU CA C 60.2 . 1 53 566 22 GLU N N 115.44 . 1 54 567 23 ARG H H 8.087 . 1 55 567 23 ARG C C 177.79 . 1 56 567 23 ARG CA C 59.7 . 1 57 567 23 ARG N N 123.14 . 1 58 568 24 LEU H H 8.485 . 1 59 568 24 LEU C C 180.41 . 1 60 568 24 LEU CA C 58.4 . 1 61 568 24 LEU N N 120.46 . 1 62 569 25 LEU H H 8.404 . 1 63 569 25 LEU C C 177.86 . 1 64 569 25 LEU CA C 58.6 . 1 65 569 25 LEU N N 119.31 . 1 66 570 26 THR H H 8.076 . 1 67 570 26 THR C C 175.16 . 1 68 570 26 THR CA C 67.2 . 1 69 570 26 THR N N 116.19 . 1 70 571 27 GLU H H 8.229 . 1 71 571 27 GLU C C 178.65 . 1 72 571 27 GLU CA C 59.8 . 1 73 571 27 GLU N N 118.74 . 1 74 572 28 TYR H H 7.913 . 1 75 572 28 TYR C C 179.36 . 1 76 572 28 TYR CA C 62.1 . 1 77 572 28 TYR N N 118.14 . 1 78 573 29 CYS H H 8.505 . 1 79 573 29 CYS C C 178.09 . 1 80 573 29 CYS CA C 63.8 . 1 81 573 29 CYS N N 118.74 . 1 82 574 30 ILE H H 8.084 . 1 83 574 30 ILE C C 178.69 . 1 84 574 30 ILE CA C 64.3 . 1 85 574 30 ILE N N 120.79 . 1 86 575 31 GLU H H 7.926 . 1 87 575 31 GLU C C 178.52 . 1 88 575 31 GLU CA C 59.4 . 1 89 575 31 GLU N N 119.09 . 1 90 576 32 THR H H 7.555 . 1 91 576 32 THR C C 176.01 . 1 92 576 32 THR CA C 61.8 . 1 93 576 32 THR N N 104.37 . 1 94 577 33 GLY H H 7.428 . 1 95 577 33 GLY C C 174.65 . 1 96 577 33 GLY CA C 46.9 . 1 97 577 33 GLY N N 112.47 . 1 98 578 34 ALA H H 7.246 . 1 99 578 34 ALA CA C 51.1 . 1 100 578 34 ALA N N 123.2 . 1 101 579 35 PRO C C 178.25 . 1 102 579 35 PRO CA C 62.3 . 1 103 580 36 ASP H H 9.025 . 1 104 580 36 ASP C C 178.96 . 1 105 580 36 ASP CA C 56.6 . 1 106 580 36 ASP N N 121.82 . 1 107 581 37 GLY H H 10.616 . 1 108 581 37 GLY C C 175.04 . 1 109 581 37 GLY CA C 45.8 . 1 110 581 37 GLY N N 114.33 . 1 111 582 38 SER H H 7.854 . 1 112 582 38 SER CA C 62.2 . 1 113 582 38 SER N N 123.05 . 1 114 583 39 PHE H H 8.321 . 1 115 583 39 PHE C C 171.22 . 1 116 583 39 PHE CA C 57.3 . 1 117 583 39 PHE N N 119.66 . 1 118 584 40 LEU H H 9.101 . 1 119 584 40 LEU C C 174.56 . 1 120 584 40 LEU CA C 54.5 . 1 121 584 40 LEU N N 114.35 . 1 122 585 41 VAL H H 9.239 . 1 123 585 41 VAL CA C 61.4 . 1 124 585 41 VAL N N 119.65 . 1 125 586 42 ARG H H 8.646 . 1 126 586 42 ARG C C 174.53 . 1 127 586 42 ARG CA C 53.2 . 1 128 586 42 ARG N N 123.7 . 1 129 587 43 GLU H H 8.728 . 1 130 587 43 GLU C C 175.99 . 1 131 587 43 GLU CA C 58.8 . 1 132 587 43 GLU N N 121.99 . 1 133 588 44 SER H H 8.045 . 1 134 588 44 SER CA C 57.9 . 1 135 588 44 SER N N 117.42 . 1 136 589 45 GLU H H 10.192 . 1 137 589 45 GLU C C 177.25 . 1 138 589 45 GLU N N 128.62 . 1 139 590 46 THR H H 8.375 . 1 140 590 46 THR C C 174.13 . 1 141 590 46 THR CA C 64.7 . 1 142 590 46 THR N N 115.82 . 1 143 591 47 PHE H H 7.947 . 1 144 591 47 PHE C C 174.25 . 1 145 591 47 PHE CA C 56.2 . 1 146 591 47 PHE N N 123.8 . 1 147 592 48 VAL H H 8.021 . 1 148 592 48 VAL C C 177.92 . 1 149 592 48 VAL CA C 65.2 . 1 150 592 48 VAL N N 123.34 . 1 151 593 49 GLY H H 9.001 . 1 152 593 49 GLY C C 173.14 . 1 153 593 49 GLY CA C 45.3 . 1 154 593 49 GLY N N 118.42 . 1 155 594 50 ASP H H 7.972 . 1 156 594 50 ASP C C 176.05 . 1 157 594 50 ASP CA C 53 . 1 158 594 50 ASP N N 120.24 . 1 159 595 51 TYR H H 8.886 . 1 160 595 51 TYR C C 174.19 . 1 161 595 51 TYR CA C 57.2 . 1 162 595 51 TYR N N 116.9 . 1 163 596 52 THR H H 9.616 . 1 164 596 52 THR C C 173.14 . 1 165 596 52 THR CA C 62.3 . 1 166 596 52 THR N N 118.84 . 1 167 597 53 LEU H H 9.398 . 1 168 597 53 LEU C C 174.41 . 1 169 597 53 LEU N N 132.41 . 1 170 598 54 SER H H 9.174 . 1 171 598 54 SER C C 172.41 . 1 172 598 54 SER CA C 57.8 . 1 173 598 54 SER N N 124.99 . 1 174 599 55 PHE H H 8.837 . 1 175 599 55 PHE C C 172.51 . 1 176 599 55 PHE CA C 55.3 . 1 177 599 55 PHE N N 118.41 . 1 178 600 56 TRP H H 8.945 . 1 179 600 56 TRP C C 175.47 . 1 180 600 56 TRP CA C 55.5 . 1 181 600 56 TRP N N 123.08 . 1 182 601 57 ARG H H 8.874 . 1 183 601 57 ARG C C 174.98 . 1 184 601 57 ARG CA C 56 . 1 185 601 57 ARG N N 127.31 . 1 186 602 58 ASN H H 9.403 . 1 187 602 58 ASN C C 175.03 . 1 188 602 58 ASN CA C 53.8 . 1 189 602 58 ASN N N 128.5 . 1 190 603 59 GLY H H 6.964 . 1 191 603 59 GLY C C 172.23 . 1 192 603 59 GLY CA C 45.7 . 1 193 603 59 GLY N N 102.13 . 1 194 604 60 LYS H H 6.796 . 1 195 604 60 LYS C C 172.99 . 1 196 604 60 LYS CA C 55 . 1 197 604 60 LYS N N 118.66 . 1 198 605 61 VAL H H 8.249 . 1 199 605 61 VAL CA C 61.5 . 1 200 605 61 VAL N N 120 . 1 201 606 62 GLN H H 8.584 . 1 202 606 62 GLN C C 172.93 . 1 203 606 62 GLN CA C 53.1 . 1 204 606 62 GLN N N 126.88 . 1 205 607 63 HIS H H 8.244 . 1 206 607 63 HIS C C 176.54 . 1 207 607 63 HIS CA C 54.5 . 1 208 607 63 HIS N N 118.65 . 1 209 608 64 CYS H H 9.833 . 1 210 608 64 CYS C C 172.56 . 1 211 608 64 CYS CA C 57.6 . 1 212 608 64 CYS N N 121.15 . 1 213 609 65 ARG H H 8.776 . 1 214 609 65 ARG C C 174.68 . 1 215 609 65 ARG CA C 56.8 . 1 216 609 65 ARG N N 126.84 . 1 217 610 66 ILE H H 9.116 . 1 218 610 66 ILE CA C 60.8 . 1 219 610 66 ILE N N 126.5 . 1 220 611 67 HIS H H 8.598 . 1 221 611 67 HIS C C 174.39 . 1 222 611 67 HIS CA C 55.5 . 1 223 611 67 HIS N N 126.27 . 1 224 612 68 SER H H 8.432 . 1 225 612 68 SER C C 174.41 . 1 226 612 68 SER CA C 56.3 . 1 227 612 68 SER N N 115.49 . 1 228 613 69 ARG H H 8.593 . 1 229 613 69 ARG C C 174.52 . 1 230 613 69 ARG CA C 54.9 . 1 231 613 69 ARG N N 123.7 . 1 232 614 70 GLN H H 8.739 . 1 233 614 70 GLN C C 175.14 . 1 234 614 70 GLN CA C 55.2 . 1 235 614 70 GLN N N 122.23 . 1 236 615 71 ASP H H 8.527 . 1 237 615 71 ASP C C 175.47 . 1 238 615 71 ASP CA C 53.8 . 1 239 615 71 ASP N N 123.95 . 1 240 616 72 ALA H H 8.885 . 1 241 616 72 ALA C C 177.67 . 1 242 616 72 ALA CA C 52.8 . 1 243 616 72 ALA N N 127.04 . 1 244 617 73 GLY H H 8.336 . 1 245 617 73 GLY C C 174.07 . 1 246 617 73 GLY CA C 45.5 . 1 247 617 73 GLY N N 105.81 . 1 248 618 74 THR H H 7.824 . 1 249 618 74 THR CA C 59.5 . 1 250 618 74 THR N N 116.77 . 1 251 619 75 PRO C C 175.18 . 1 252 620 76 LYS H H 8.121 . 1 253 620 76 LYS C C 175.69 . 1 254 620 76 LYS CA C 53.6 . 1 255 620 76 LYS N N 118.85 . 1 256 621 77 PHE H H 9.07 . 1 257 621 77 PHE C C 176.26 . 1 258 621 77 PHE CA C 56.6 . 1 259 621 77 PHE N N 117.37 . 1 260 622 78 PHE H H 8.922 . 1 261 622 78 PHE CA C 57.8 . 1 262 622 78 PHE N N 116.11 . 1 263 623 79 LEU H H 10.124 . 1 264 623 79 LEU C C 177.84 . 1 265 623 79 LEU N N 121.83 . 1 266 624 80 THR H H 8.829 . 1 267 624 80 THR C C 174.12 . 1 268 624 80 THR CA C 60 . 1 269 624 80 THR N N 113.39 . 1 270 625 81 ASP H H 8.535 . 1 271 625 81 ASP C C 175.17 . 1 272 625 81 ASP CA C 56.2 . 1 273 625 81 ASP N N 122.17 . 1 274 626 82 ASN H H 7.942 . 1 275 626 82 ASN C C 174.55 . 1 276 626 82 ASN CA C 53.4 . 1 277 626 82 ASN N N 114.17 . 1 278 627 83 LEU H H 7.691 . 1 279 627 83 LEU C C 172.4 . 1 280 627 83 LEU CA C 55.1 . 1 281 627 83 LEU N N 124.96 . 1 282 628 84 VAL H H 7.869 . 1 283 628 84 VAL C C 175.26 . 1 284 628 84 VAL CA C 60.2 . 1 285 628 84 VAL N N 120.86 . 1 286 629 85 PHE H H 9.359 . 1 287 629 85 PHE C C 175.96 . 1 288 629 85 PHE CA C 57.4 . 1 289 629 85 PHE N N 122.29 . 1 290 630 86 ASP H H 9.922 . 1 291 630 86 ASP C C 175.59 . 1 292 630 86 ASP CA C 55.4 . 1 293 630 86 ASP N N 119.92 . 1 294 631 87 SER H H 7.673 . 1 295 631 87 SER C C 173.65 . 1 296 631 87 SER CA C 57.2 . 1 297 631 87 SER N N 108.68 . 1 298 632 88 LEU H H 8.5 . 1 299 632 88 LEU C C 177.82 . 1 300 632 88 LEU CA C 57.2 . 1 301 632 88 LEU N N 122.77 . 1 302 633 89 TYR H H 8.637 . 1 303 633 89 TYR C C 177.9 . 1 304 633 89 TYR CA C 62.4 . 1 305 633 89 TYR N N 119.06 . 1 306 634 90 ASP H H 8.329 . 1 307 634 90 ASP C C 177.29 . 1 308 634 90 ASP CA C 57.4 . 1 309 634 90 ASP N N 122.03 . 1 310 635 91 LEU H H 6.963 . 1 311 635 91 LEU C C 176.83 . 1 312 635 91 LEU CA C 58.8 . 1 313 635 91 LEU N N 122.95 . 1 314 636 92 ILE H H 8.049 . 1 315 636 92 ILE C C 177.1 . 1 316 636 92 ILE CA C 61.3 . 1 317 636 92 ILE N N 119.4 . 1 318 637 93 THR H H 7.721 . 1 319 637 93 THR C C 177.43 . 1 320 637 93 THR CA C 66.1 . 1 321 637 93 THR N N 112.7 . 1 322 638 94 HIS H H 7.456 . 1 323 638 94 HIS C C 177.4 . 1 324 638 94 HIS CA C 60.7 . 1 325 638 94 HIS N N 120.53 . 1 326 639 95 TYR H H 7.376 . 1 327 639 95 TYR C C 175.53 . 1 328 639 95 TYR CA C 60.2 . 1 329 639 95 TYR N N 115.78 . 1 330 640 96 GLN H H 7.319 . 1 331 640 96 GLN C C 177.55 . 1 332 640 96 GLN CA C 56.9 . 1 333 640 96 GLN N N 115.65 . 1 334 641 97 GLN H H 7.555 . 1 335 641 97 GLN C C 175.69 . 1 336 641 97 GLN CA C 56.9 . 1 337 641 97 GLN N N 118.66 . 1 338 642 98 VAL H H 8.218 . 1 339 642 98 VAL CA C 58.5 . 1 340 642 98 VAL N N 121.23 . 1 341 643 99 PRO C C 177.42 . 1 342 643 99 PRO CA C 63.2 . 1 343 644 100 LEU H H 8.313 . 1 344 644 100 LEU C C 175.57 . 1 345 644 100 LEU CA C 54.4 . 1 346 644 100 LEU N N 121.33 . 1 347 645 101 ARG H H 8.094 . 1 348 645 101 ARG C C 175.16 . 1 349 645 101 ARG CA C 55.3 . 1 350 645 101 ARG N N 121.92 . 1 351 646 102 CYS H H 8.237 . 1 352 646 102 CYS C C 172.56 . 1 353 646 102 CYS CA C 57.2 . 1 354 646 102 CYS N N 124.96 . 1 355 647 103 ASN H H 8.832 . 1 356 647 103 ASN C C 175.08 . 1 357 647 103 ASN CA C 55.8 . 1 358 647 103 ASN N N 121.88 . 1 359 648 104 GLU H H 8.711 . 1 360 648 104 GLU C C 175.48 . 1 361 648 104 GLU CA C 57.3 . 1 362 648 104 GLU N N 117.79 . 1 363 649 105 PHE H H 7.601 . 1 364 649 105 PHE C C 172.67 . 1 365 649 105 PHE CA C 56.4 . 1 366 649 105 PHE N N 117.66 . 1 367 650 106 GLU H H 8.45 . 1 368 650 106 GLU C C 175.72 . 1 369 650 106 GLU CA C 54.6 . 1 370 650 106 GLU N N 118.8 . 1 371 651 107 MET H H 8.817 . 1 372 651 107 MET C C 173.62 . 1 373 651 107 MET CA C 55.3 . 1 374 651 107 MET N N 122.78 . 1 375 652 108 ARG H H 8.464 . 1 376 652 108 ARG C C 176.71 . 1 377 652 108 ARG CA C 55.6 . 1 378 652 108 ARG N N 126.72 . 1 379 653 109 LEU H H 8.434 . 1 380 653 109 LEU C C 176.58 . 1 381 653 109 LEU CA C 54.6 . 1 382 653 109 LEU N N 123.62 . 1 383 654 110 SER H H 8.208 . 1 384 654 110 SER C C 174.73 . 1 385 654 110 SER CA C 56.6 . 1 386 654 110 SER N N 115.68 . 1 387 655 111 GLU H H 8.073 . 1 388 655 111 GLU CA C 54.1 . 1 389 655 111 GLU N N 125.74 . 1 390 656 112 PRO C C 175.91 . 1 391 656 112 PRO CA C 61.1 . 1 392 657 113 VAL H H 8.31 . 1 393 657 113 VAL CA C 59.7 . 1 394 657 113 VAL N N 126.17 . 1 395 658 114 PRO CA C 62.1 . 1 396 659 115 GLN H H 8.325 . 1 397 659 115 GLN C C 176.58 . 1 398 659 115 GLN CA C 55.5 . 1 399 659 115 GLN N N 119.71 . 1 400 660 116 THR H H 8.22 . 1 401 660 116 THR CA C 62.8 . 1 402 660 116 THR N N 117.82 . 1 403 667 123 GLU C C 175.63 . 1 404 668 124 TRP H H 6.265 . 1 405 668 124 TRP C C 175.42 . 1 406 668 124 TRP CA C 53.2 . 1 407 668 124 TRP N N 109.26 . 1 408 669 125 TYR H H 7.467 . 1 409 669 125 TYR C C 174.06 . 1 410 669 125 TYR CA C 53.2 . 1 411 669 125 TYR N N 122.31 . 1 412 670 126 HIS H H 8.518 . 1 413 670 126 HIS C C 173.63 . 1 414 670 126 HIS CA C 54.7 . 1 415 670 126 HIS N N 128.46 . 1 416 671 127 ALA H H 8.428 . 1 417 671 127 ALA C C 178.39 . 1 418 671 127 ALA CA C 54.2 . 1 419 671 127 ALA N N 125.99 . 1 420 672 128 SER H H 8.371 . 1 421 672 128 SER C C 172.85 . 1 422 672 128 SER CA C 56.4 . 1 423 672 128 SER N N 112.09 . 1 424 673 129 LEU H H 8.385 . 1 425 673 129 LEU C C 175.79 . 1 426 673 129 LEU CA C 54.9 . 1 427 673 129 LEU N N 128.06 . 1 428 674 130 THR H H 8.876 . 1 429 674 130 THR C C 175.23 . 1 430 674 130 THR CA C 61.2 . 1 431 674 130 THR N N 118.11 . 1 432 675 131 ARG H H 9.056 . 1 433 675 131 ARG C C 177.81 . 1 434 675 131 ARG CA C 60.4 . 1 435 675 131 ARG N N 122.35 . 1 436 676 132 ALA H H 8.41 . 1 437 676 132 ALA C C 181.12 . 1 438 676 132 ALA CA C 55.4 . 1 439 676 132 ALA N N 119.51 . 1 440 677 133 GLN H H 7.884 . 1 441 677 133 GLN C C 179.39 . 1 442 677 133 GLN CA C 58.7 . 1 443 677 133 GLN N N 118.4 . 1 444 678 134 ALA H H 8.609 . 1 445 678 134 ALA C C 179.44 . 1 446 678 134 ALA CA C 55.1 . 1 447 678 134 ALA N N 122.69 . 1 448 679 135 GLU H H 8.58 . 1 449 679 135 GLU CA C 60.9 . 1 450 679 135 GLU N N 116.56 . 1 451 680 136 HIS H H 8.136 . 1 452 680 136 HIS C C 177.09 . 1 453 680 136 HIS CA C 60.7 . 1 454 680 136 HIS N N 118.84 . 1 455 681 137 MET H H 7.619 . 1 456 681 137 MET C C 178.04 . 1 457 681 137 MET CA C 59.9 . 1 458 681 137 MET N N 115.36 . 1 459 682 138 LEU H H 8.1 . 1 460 682 138 LEU CA C 57.6 . 1 461 682 138 LEU N N 115.62 . 1 462 687 143 ARG H H 7.833 . 1 463 687 143 ARG C C 175.22 . 1 464 687 143 ARG CA C 54.8 . 1 465 687 143 ARG N N 120.14 . 1 466 688 144 ASP H H 8.707 . 1 467 688 144 ASP C C 178.52 . 1 468 688 144 ASP CA C 55.2 . 1 469 688 144 ASP N N 124.37 . 1 470 689 145 GLY H H 9.674 . 1 471 689 145 GLY C C 176.45 . 1 472 689 145 GLY CA C 45.6 . 1 473 689 145 GLY N N 108.79 . 1 474 690 146 ALA H H 7.691 . 1 475 690 146 ALA C C 176.33 . 1 476 690 146 ALA CA C 51.9 . 1 477 690 146 ALA N N 125.29 . 1 478 691 147 PHE H H 8.807 . 1 479 691 147 PHE C C 170.69 . 1 480 691 147 PHE CA C 56.3 . 1 481 691 147 PHE N N 118.96 . 1 482 692 148 LEU H H 9.356 . 1 483 692 148 LEU CA C 54.9 . 1 484 692 148 LEU N N 114.67 . 1 485 693 149 VAL H H 9.809 . 1 486 693 149 VAL C C 173.32 . 1 487 693 149 VAL CA C 61 . 1 488 693 149 VAL N N 121.1 . 1 489 694 150 ARG H H 9.583 . 1 490 694 150 ARG C C 175.41 . 1 491 694 150 ARG CA C 51.9 . 1 492 694 150 ARG N N 122.13 . 1 493 695 151 LYS H H 7.864 . 1 494 695 151 LYS C C 177.64 . 1 495 695 151 LYS CA C 58 . 1 496 695 151 LYS N N 124.55 . 1 497 696 152 ARG H H 8.085 . 1 498 696 152 ARG C C 174.9 . 1 499 696 152 ARG CA C 56.5 . 1 500 696 152 ARG N N 127.24 . 1 501 697 153 ASN H H 8.593 . 1 502 697 153 ASN C C 175.79 . 1 503 697 153 ASN CA C 54.6 . 1 504 697 153 ASN N N 118.16 . 1 505 698 154 GLU H H 7.405 . 1 506 698 154 GLU N N 119.77 . 1 507 700 156 ASN C C 172.97 . 1 508 701 157 SER H H 7.667 . 1 509 701 157 SER C C 173 . 1 510 701 157 SER CA C 57.8 . 1 511 701 157 SER N N 108.64 . 1 512 702 158 TYR H H 9.142 . 1 513 702 158 TYR C C 173.41 . 1 514 702 158 TYR CA C 56.7 . 1 515 702 158 TYR N N 123.21 . 1 516 703 159 ALA H H 9.651 . 1 517 703 159 ALA C C 176.06 . 1 518 703 159 ALA CA C 50.5 . 1 519 703 159 ALA N N 121.36 . 1 520 704 160 ILE H H 9.098 . 1 521 704 160 ILE C C 175.61 . 1 522 704 160 ILE CA C 60.7 . 1 523 704 160 ILE N N 120.72 . 1 524 705 161 SER H H 9.268 . 1 525 705 161 SER C C 172.66 . 1 526 705 161 SER CA C 58.4 . 1 527 705 161 SER N N 126.02 . 1 528 706 162 PHE H H 8.579 . 1 529 706 162 PHE C C 172.26 . 1 530 706 162 PHE CA C 55.7 . 1 531 706 162 PHE N N 120.92 . 1 532 707 163 ARG H H 8.043 . 1 533 707 163 ARG C C 174.09 . 1 534 707 163 ARG CA C 54.3 . 1 535 707 163 ARG N N 118.54 . 1 536 708 164 ALA H H 9.125 . 1 537 708 164 ALA C C 177.16 . 1 538 708 164 ALA CA C 51.5 . 1 539 708 164 ALA N N 126.21 . 1 540 709 165 GLU H H 9.558 . 1 541 709 165 GLU C C 176.91 . 1 542 709 165 GLU CA C 56.7 . 1 543 709 165 GLU N N 124.25 . 1 544 710 166 GLY H H 9.632 . 1 545 710 166 GLY C C 173.4 . 1 546 710 166 GLY CA C 45.6 . 1 547 710 166 GLY N N 106 . 1 548 711 167 LYS H H 7.707 . 1 549 711 167 LYS CA C 53.5 . 1 550 711 167 LYS N N 117.75 . 1 551 712 168 ILE C C 175.44 . 1 552 712 168 ILE CA C 59.8 . 1 553 713 169 LYS H H 8.341 . 1 554 713 169 LYS C C 171.79 . 1 555 713 169 LYS CA C 53.5 . 1 556 713 169 LYS N N 128.97 . 1 557 714 170 HIS H H 8.084 . 1 558 714 170 HIS C C 175.38 . 1 559 714 170 HIS N N 113.85 . 1 560 715 171 CYS H H 9.678 . 1 561 715 171 CYS C C 173.36 . 1 562 715 171 CYS CA C 57.5 . 1 563 715 171 CYS N N 119.56 . 1 564 716 172 ARG H H 9.048 . 1 565 716 172 ARG C C 174.21 . 1 566 716 172 ARG CA C 56.4 . 1 567 716 172 ARG N N 124.53 . 1 568 717 173 VAL H H 8.885 . 1 569 717 173 VAL C C 174.67 . 1 570 717 173 VAL CA C 61 . 1 571 717 173 VAL N N 123.7 . 1 572 718 174 GLN H H 8.68 . 1 573 718 174 GLN C C 174.38 . 1 574 718 174 GLN CA C 54.2 . 1 575 718 174 GLN N N 126.12 . 1 576 719 175 GLN H H 8.755 . 1 577 719 175 GLN C C 174.56 . 1 578 719 175 GLN CA C 55.1 . 1 579 719 175 GLN N N 125.45 . 1 580 720 176 GLU H H 8.762 . 1 581 720 176 GLU C C 175.75 . 1 582 720 176 GLU CA C 55.2 . 1 583 720 176 GLU N N 129.84 . 1 584 721 177 GLY H H 8.956 . 1 585 721 177 GLY C C 175.13 . 1 586 721 177 GLY CA C 47.2 . 1 587 721 177 GLY N N 115.99 . 1 588 722 178 GLN H H 9.1 . 1 589 722 178 GLN C C 175.08 . 1 590 722 178 GLN CA C 56.1 . 1 591 722 178 GLN N N 126.09 . 1 592 723 179 THR H H 7.753 . 1 593 723 179 THR C C 173.27 . 1 594 723 179 THR CA C 61.8 . 1 595 723 179 THR N N 113.34 . 1 596 724 180 VAL H H 8.665 . 1 597 724 180 VAL C C 174.36 . 1 598 724 180 VAL CA C 60.1 . 1 599 724 180 VAL N N 117.54 . 1 600 725 181 MET H H 9.129 . 1 601 725 181 MET CA C 54.1 . 1 602 725 181 MET N N 121.55 . 1 603 726 182 LEU H H 8.585 . 1 604 726 182 LEU C C 176.37 . 1 605 726 182 LEU CA C 53.6 . 1 606 726 182 LEU N N 126.19 . 1 607 727 183 GLY H H 9.136 . 1 608 727 183 GLY C C 174.5 . 1 609 727 183 GLY CA C 47.6 . 1 610 727 183 GLY N N 117.88 . 1 611 728 184 ASN H H 8.919 . 1 612 728 184 ASN C C 175.12 . 1 613 728 184 ASN CA C 53.2 . 1 614 728 184 ASN N N 125.1 . 1 615 729 185 SER H H 8.31 . 1 616 729 185 SER C C 171.54 . 1 617 729 185 SER CA C 58.7 . 1 618 729 185 SER N N 118.14 . 1 619 730 186 GLU H H 8.033 . 1 620 730 186 GLU C C 174.67 . 1 621 730 186 GLU CA C 55.1 . 1 622 730 186 GLU N N 124.44 . 1 623 731 187 PHE H H 9.135 . 1 624 731 187 PHE C C 175.51 . 1 625 731 187 PHE CA C 56.5 . 1 626 731 187 PHE N N 120.53 . 1 627 732 188 ASP H H 9.396 . 1 628 732 188 ASP C C 175.29 . 1 629 732 188 ASP CA C 56.1 . 1 630 732 188 ASP N N 119.56 . 1 631 733 189 SER H H 7.383 . 1 632 733 189 SER CA C 57.4 . 1 633 733 189 SER N N 105.13 . 1 634 735 191 VAL C C 177.97 . 1 635 735 191 VAL CA C 67 . 1 636 736 192 ASP H H 7.817 . 1 637 736 192 ASP C C 177.81 . 1 638 736 192 ASP CA C 57.6 . 1 639 736 192 ASP N N 121.47 . 1 640 737 193 LEU H H 7.42 . 1 641 737 193 LEU C C 177.33 . 1 642 737 193 LEU CA C 59.1 . 1 643 737 193 LEU N N 123.3 . 1 644 738 194 ILE H H 7.828 . 1 645 738 194 ILE C C 177.46 . 1 646 738 194 ILE CA C 61.7 . 1 647 738 194 ILE N N 119.43 . 1 648 739 195 SER H H 8.074 . 1 649 739 195 SER N N 112.28 . 1 650 741 197 TYR C C 177.38 . 1 651 742 198 GLU H H 7.282 . 1 652 742 198 GLU C C 173.69 . 1 653 742 198 GLU CA C 56.7 . 1 654 742 198 GLU N N 117.93 . 1 655 743 199 LYS H H 7.112 . 1 656 743 199 LYS CA C 58 . 1 657 743 199 LYS N N 117.39 . 1 658 745 201 PRO C C 177.87 . 1 659 745 201 PRO CA C 61.6 . 1 660 746 202 LEU H H 7.874 . 1 661 746 202 LEU C C 179.53 . 1 662 746 202 LEU CA C 63.2 . 1 663 746 202 LEU N N 122.02 . 1 664 747 203 TYR H H 7.703 . 1 665 747 203 TYR C C 174.69 . 1 666 747 203 TYR CA C 61.3 . 1 667 747 203 TYR N N 118.86 . 1 668 748 204 ARG H H 7.515 . 1 669 748 204 ARG C C 178.49 . 1 670 748 204 ARG CA C 57.6 . 1 671 748 204 ARG N N 117.54 . 1 672 749 205 LYS H H 7.084 . 1 673 749 205 LYS C C 174.92 . 1 674 749 205 LYS CA C 56.1 . 1 675 749 205 LYS N N 115.92 . 1 676 750 206 MET H H 7.61 . 1 677 750 206 MET N N 119.68 . 1 678 755 211 PRO C C 176.99 . 1 679 756 212 ILE H H 8.516 . 1 680 756 212 ILE C C 173.29 . 1 681 756 212 ILE CA C 58.7 . 1 682 756 212 ILE N N 122.71 . 1 683 757 213 ASN H H 7.136 . 1 684 757 213 ASN C C 174.51 . 1 685 757 213 ASN CA C 51.3 . 1 686 757 213 ASN N N 121.29 . 1 687 758 214 GLU H H 9.537 . 1 688 758 214 GLU C C 178.59 . 1 689 758 214 GLU CA C 60.9 . 1 690 758 214 GLU N N 120.09 . 1 691 759 215 GLU H H 8.31 . 1 692 759 215 GLU C C 179.04 . 1 693 759 215 GLU CA C 59.8 . 1 694 759 215 GLU N N 120.35 . 1 695 760 216 ALA H H 8.218 . 1 696 760 216 ALA C C 180.24 . 1 697 760 216 ALA CA C 54.7 . 1 698 760 216 ALA N N 121.89 . 1 699 761 217 LEU H H 7.872 . 1 700 761 217 LEU C C 179.2 . 1 701 761 217 LEU CA C 57.5 . 1 702 761 217 LEU N N 116.67 . 1 703 762 218 GLU H H 7.593 . 1 704 762 218 GLU C C 177.65 . 1 705 762 218 GLU CA C 58.6 . 1 706 762 218 GLU N N 118.18 . 1 707 763 219 LYS H H 7.544 . 1 708 763 219 LYS CA C 58.3 . 1 709 763 219 LYS N N 117.3 . 1 710 764 220 ILE C C 176.01 . 1 711 765 221 GLY H H 7.701 . 1 712 765 221 GLY C C 174.3 . 1 713 765 221 GLY CA C 44.9 . 1 714 765 221 GLY N N 110.22 . 1 715 766 222 THR H H 8.852 . 1 716 766 222 THR C C 175.32 . 1 717 766 222 THR CA C 60.6 . 1 718 766 222 THR N N 112.41 . 1 719 767 223 ALA H H 8.455 . 1 720 767 223 ALA C C 177.82 . 1 721 767 223 ALA CA C 53.9 . 1 722 767 223 ALA N N 124.95 . 1 723 768 224 GLU H H 8.111 . 1 724 768 224 GLU N N 116.83 . 1 725 769 225 PRO C C 174.93 . 1 726 770 226 ASP H H 7.709 . 1 727 770 226 ASP C C 176.14 . 1 728 770 226 ASP CA C 52.6 . 1 729 770 226 ASP N N 120.11 . 1 730 771 227 PHE H H 8.255 . 1 731 771 227 PHE C C 177.87 . 1 732 771 227 PHE CA C 59.7 . 1 733 771 227 PHE N N 123.98 . 1 734 772 228 GLY H H 8.594 . 1 735 772 228 GLY C C 174.34 . 1 736 772 228 GLY CA C 46.3 . 1 737 772 228 GLY N N 109.03 . 1 738 773 229 ALA H H 7.53 . 1 739 773 229 ALA C C 177.42 . 1 740 773 229 ALA CA C 52.5 . 1 741 773 229 ALA N N 121.76 . 1 742 774 230 LEU H H 7.438 . 1 743 774 230 LEU C C 177.26 . 1 744 774 230 LEU CA C 55 . 1 745 774 230 LEU N N 118.42 . 1 746 775 231 PHE H H 8.753 . 1 747 775 231 PHE C C 175.31 . 1 748 775 231 PHE CA C 57.8 . 1 749 775 231 PHE N N 123.06 . 1 750 776 232 GLU H H 8.446 . 1 751 776 232 GLU C C 176.28 . 1 752 776 232 GLU CA C 56.8 . 1 753 776 232 GLU N N 125.24 . 1 754 777 233 GLY H H 7.832 . 1 755 777 233 GLY C C 173.88 . 1 756 777 233 GLY CA C 45.3 . 1 757 777 233 GLY N N 108.64 . 1 758 778 234 ARG H H 8.008 . 1 759 778 234 ARG C C 175.69 . 1 760 778 234 ARG N N 119.42 . 1 761 779 235 ASN H H 8.29 . 1 762 779 235 ASN CA C 51.4 . 1 763 779 235 ASN N N 118.97 . 1 764 781 237 GLY H H 8.398 . 1 765 781 237 GLY C C 173.62 . 1 766 781 237 GLY CA C 45.3 . 1 767 781 237 GLY N N 109.04 . 1 768 782 238 PHE H H 7.376 . 1 769 782 238 PHE C C 175.57 . 1 770 782 238 PHE CA C 58.1 . 1 771 782 238 PHE N N 119.11 . 1 772 783 239 TYR H H 8.646 . 1 773 783 239 TYR C C 174.95 . 1 774 783 239 TYR CA C 57.2 . 1 775 783 239 TYR N N 128.34 . 1 776 784 240 VAL H H 8.626 . 1 777 784 240 VAL C C 175.45 . 1 778 784 240 VAL CA C 62.5 . 1 779 784 240 VAL N N 114.32 . 1 780 785 241 GLU H H 8.496 . 1 781 785 241 GLU C C 176.37 . 1 782 785 241 GLU CA C 55.4 . 1 783 785 241 GLU N N 120.81 . 1 784 786 242 ALA H H 8.658 . 1 785 786 242 ALA C C 177.74 . 1 786 786 242 ALA CA C 51 . 1 787 786 242 ALA N N 124.87 . 1 788 787 243 ASN H H 8.537 . 1 789 787 243 ASN N N 120.05 . 1 790 788 244 PRO C C 176.8 . 1 791 788 244 PRO CA C 62.5 . 1 792 789 245 MET H H 8.432 . 1 793 789 245 MET CA C 53.8 . 1 794 789 245 MET N N 123.05 . 1 stop_ save_ save_NSH2CSH2DCT _Saveframe_category assigned_chemical_shifts _Details 'please refer to the paper for more information.' 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 $backbone_resonance_assignments _Mol_system_component_name 'PLCg1 tandem SH2' _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 1 547 3 ASN H H 8.678 . 1 2 547 3 ASN N N 120.35 . 1 3 548 4 GLU H H 7.973 . 1 4 548 4 GLU N N 120.05 . 1 5 551 7 PHE H H 7.67 . 1 6 551 7 PHE N N 123.39 . 1 7 556 12 GLY H H 8.825 . 1 8 556 12 GLY N N 110.6 . 1 9 558 14 GLY H H 8.593 . 1 10 558 14 GLY N N 108.75 . 1 11 561 17 GLY H H 8.78 . 1 12 561 17 GLY N N 110.13 . 1 13 566 22 GLU H H 8.392 . 1 14 566 22 GLU N N 115.6 . 1 15 567 23 ARG H H 8.055 . 1 16 567 23 ARG N N 123.12 . 1 17 568 24 LEU H H 8.473 . 1 18 568 24 LEU N N 120.61 . 1 19 570 26 THR H H 8.069 . 1 20 570 26 THR N N 116.18 . 1 21 572 28 TYR H H 7.913 . 1 22 572 28 TYR N N 118.03 . 1 23 573 29 CYS H H 8.508 . 1 24 573 29 CYS N N 118.79 . 1 25 574 30 ILE H H 8.082 . 1 26 574 30 ILE N N 120.88 . 1 27 575 31 GLU H H 7.92 . 1 28 575 31 GLU N N 119.13 . 1 29 576 32 THR H H 7.56 . 1 30 576 32 THR N N 104.39 . 1 31 577 33 GLY H H 7.427 . 1 32 577 33 GLY N N 112.56 . 1 33 578 34 ALA H H 7.253 . 1 34 578 34 ALA N N 123.24 . 1 35 580 36 ASP H H 9.024 . 1 36 580 36 ASP N N 121.91 . 1 37 581 37 GLY H H 10.616 . 1 38 581 37 GLY N N 114.39 . 1 39 582 38 SER H H 7.85 . 1 40 582 38 SER N N 123.07 . 1 41 584 40 LEU H H 9.094 . 1 42 584 40 LEU N N 114.45 . 1 43 585 41 VAL H H 9.233 . 1 44 585 41 VAL N N 119.69 . 1 45 589 45 GLU H H 10.259 . 1 46 589 45 GLU N N 128.74 . 1 47 590 46 THR H H 8.41 . 1 48 590 46 THR N N 115.89 . 1 49 591 47 PHE H H 7.959 . 1 50 591 47 PHE N N 123.9 . 1 51 592 48 VAL H H 8.018 . 1 52 592 48 VAL N N 123.33 . 1 53 593 49 GLY H H 9.006 . 1 54 593 49 GLY N N 118.49 . 1 55 594 50 ASP H H 7.982 . 1 56 594 50 ASP N N 120.33 . 1 57 595 51 TYR H H 8.89 . 1 58 595 51 TYR N N 116.91 . 1 59 596 52 THR H H 9.599 . 1 60 596 52 THR N N 118.97 . 1 61 597 53 LEU H H 9.394 . 1 62 597 53 LEU N N 132.52 . 1 63 598 54 SER H H 9.16 . 1 64 598 54 SER N N 125.03 . 1 65 599 55 PHE H H 8.839 . 1 66 599 55 PHE N N 118.42 . 1 67 600 56 TRP H H 8.944 . 1 68 600 56 TRP N N 123.1 . 1 69 601 57 ARG H H 8.879 . 1 70 601 57 ARG N N 127.42 . 1 71 602 58 ASN H H 9.389 . 1 72 602 58 ASN N N 128.52 . 1 73 603 59 GLY H H 6.982 . 1 74 603 59 GLY N N 102.19 . 1 75 604 60 LYS H H 6.797 . 1 76 604 60 LYS N N 118.71 . 1 77 605 61 VAL H H 8.243 . 1 78 605 61 VAL N N 120.02 . 1 79 606 62 GLN H H 8.58 . 1 80 606 62 GLN N N 126.98 . 1 81 608 64 CYS H H 9.821 . 1 82 608 64 CYS N N 121.21 . 1 83 609 65 ARG H H 8.77 . 1 84 609 65 ARG N N 126.84 . 1 85 610 66 ILE H H 9.127 . 1 86 610 66 ILE N N 126.61 . 1 87 611 67 HIS H H 8.609 . 1 88 611 67 HIS N N 126.31 . 1 89 612 68 SER H H 8.432 . 1 90 612 68 SER N N 115.6 . 1 91 613 69 ARG H H 8.593 . 1 92 613 69 ARG N N 123.75 . 1 93 614 70 GLN H H 8.74 . 1 94 614 70 GLN N N 122.25 . 1 95 615 71 ASP H H 8.524 . 1 96 615 71 ASP N N 124.05 . 1 97 616 72 ALA H H 8.884 . 1 98 616 72 ALA N N 127.15 . 1 99 617 73 GLY H H 8.33 . 1 100 617 73 GLY N N 105.81 . 1 101 618 74 THR H H 7.819 . 1 102 618 74 THR N N 116.78 . 1 103 620 76 LYS H H 8.121 . 1 104 620 76 LYS N N 118.88 . 1 105 621 77 PHE H H 9.066 . 1 106 621 77 PHE N N 117.4 . 1 107 622 78 PHE H H 8.92 . 1 108 622 78 PHE N N 116.17 . 1 109 623 79 LEU H H 10.106 . 1 110 623 79 LEU N N 121.97 . 1 111 624 80 THR H H 8.815 . 1 112 624 80 THR N N 113.43 . 1 113 626 82 ASN H H 7.937 . 1 114 626 82 ASN N N 114.21 . 1 115 627 83 LEU H H 7.684 . 1 116 627 83 LEU N N 124.97 . 1 117 628 84 VAL H H 7.861 . 1 118 628 84 VAL N N 120.83 . 1 119 629 85 PHE H H 9.349 . 1 120 629 85 PHE N N 122.27 . 1 121 630 86 ASP H H 9.92 . 1 122 630 86 ASP N N 119.98 . 1 123 631 87 SER H H 7.67 . 1 124 631 87 SER N N 108.71 . 1 125 633 89 TYR H H 8.635 . 1 126 633 89 TYR N N 119.08 . 1 127 634 90 ASP H H 8.329 . 1 128 634 90 ASP N N 122.07 . 1 129 635 91 LEU H H 6.964 . 1 130 635 91 LEU N N 123 . 1 131 636 92 ILE H H 8.047 . 1 132 636 92 ILE N N 119.44 . 1 133 638 94 HIS H H 7.446 . 1 134 638 94 HIS N N 120.54 . 1 135 639 95 TYR H H 7.373 . 1 136 639 95 TYR N N 115.81 . 1 137 640 96 GLN H H 7.316 . 1 138 640 96 GLN N N 115.74 . 1 139 641 97 GLN H H 7.545 . 1 140 641 97 GLN N N 118.73 . 1 141 642 98 VAL H H 8.208 . 1 142 642 98 VAL N N 121.25 . 1 143 644 100 LEU H H 8.303 . 1 144 644 100 LEU N N 121.38 . 1 145 645 101 ARG H H 8.089 . 1 146 645 101 ARG N N 121.98 . 1 147 646 102 CYS H H 8.232 . 1 148 646 102 CYS N N 124.98 . 1 149 647 103 ASN H H 8.832 . 1 150 647 103 ASN N N 121.76 . 1 151 648 104 GLU H H 8.702 . 1 152 648 104 GLU N N 117.8 . 1 153 650 106 GLU H H 8.442 . 1 154 650 106 GLU N N 118.85 . 1 155 651 107 MET H H 8.814 . 1 156 651 107 MET N N 122.82 . 1 157 652 108 ARG H H 8.456 . 1 158 652 108 ARG N N 126.74 . 1 159 653 109 LEU H H 8.434 . 1 160 653 109 LEU N N 123.7 . 1 161 654 110 SER H H 8.207 . 1 162 654 110 SER N N 115.75 . 1 163 655 111 GLU H H 8.057 . 1 164 655 111 GLU N N 125.77 . 1 165 657 113 VAL H H 8.264 . 1 166 657 113 VAL N N 126.31 . 1 167 660 116 THR H H 8.248 . 1 168 660 116 THR N N 118.05 . 1 169 668 124 TRP H H 6.251 . 1 170 668 124 TRP N N 109.33 . 1 171 669 125 TYR H H 7.451 . 1 172 669 125 TYR N N 122.59 . 1 173 670 126 HIS H H 8.54 . 1 174 670 126 HIS N N 128.43 . 1 175 671 127 ALA H H 8.407 . 1 176 671 127 ALA N N 126.05 . 1 177 672 128 SER H H 8.361 . 1 178 672 128 SER N N 112.12 . 1 179 673 129 LEU H H 8.309 . 1 180 673 129 LEU N N 127.87 . 1 181 674 130 THR H H 8.858 . 1 182 674 130 THR N N 117.98 . 1 183 678 134 ALA H H 8.62 . 1 184 678 134 ALA N N 122.76 . 1 185 679 135 GLU H H 8.549 . 1 186 679 135 GLU N N 116.6 . 1 187 688 144 ASP H H 8.767 . 1 188 688 144 ASP N N 124.32 . 1 189 689 145 GLY H H 9.499 . 1 190 689 145 GLY N N 109.27 . 1 191 690 146 ALA H H 7.795 . 1 192 690 146 ALA N N 125.84 . 1 193 691 147 PHE H H 8.831 . 1 194 691 147 PHE N N 118.87 . 1 195 692 148 LEU H H 9.351 . 1 196 692 148 LEU N N 114.93 . 1 197 694 150 ARG H H 9.587 . 1 198 694 150 ARG N N 122.52 . 1 199 695 151 LYS H H 7.943 . 1 200 695 151 LYS N N 125.02 . 1 201 696 152 ARG H H 8.103 . 1 202 696 152 ARG N N 126.86 . 1 203 698 154 GLU H H 7.381 . 1 204 698 154 GLU N N 120.02 . 1 205 701 157 SER H H 7.675 . 1 206 701 157 SER N N 109.37 . 1 207 703 159 ALA H H 9.507 . 1 208 703 159 ALA N N 121.32 . 1 209 704 160 ILE H H 9.123 . 1 210 704 160 ILE N N 121.19 . 1 211 705 161 SER H H 9.181 . 1 212 705 161 SER N N 126.57 . 1 213 710 166 GLY H H 9.399 . 1 214 710 166 GLY N N 105.67 . 1 215 719 175 GLN H H 8.775 . 1 216 719 175 GLN N N 125.74 . 1 217 720 176 GLU H H 8.818 . 1 218 720 176 GLU N N 130.24 . 1 219 721 177 GLY H H 8.983 . 1 220 721 177 GLY N N 116.1 . 1 221 723 179 THR H H 7.786 . 1 222 723 179 THR N N 113.39 . 1 223 724 180 VAL H H 8.733 . 1 224 724 180 VAL N N 117.29 . 1 225 727 183 GLY H H 9.445 . 1 226 727 183 GLY N N 117.87 . 1 227 728 184 ASN H H 8.952 . 1 228 728 184 ASN N N 124.91 . 1 229 729 185 SER H H 8.306 . 1 230 729 185 SER N N 118.32 . 1 231 730 186 GLU H H 8.041 . 1 232 730 186 GLU N N 124.47 . 1 233 731 187 PHE H H 9.109 . 1 234 731 187 PHE N N 120.56 . 1 235 732 188 ASP H H 9.432 . 1 236 732 188 ASP N N 119.55 . 1 237 733 189 SER H H 7.371 . 1 238 733 189 SER N N 105.39 . 1 239 736 192 ASP H H 7.798 . 1 240 736 192 ASP N N 121.57 . 1 241 737 193 LEU H H 7.417 . 1 242 737 193 LEU N N 123.36 . 1 243 739 195 SER H H 8.078 . 1 244 739 195 SER N N 112.5 . 1 245 742 198 GLU H H 7.205 . 1 246 742 198 GLU N N 116.7 . 1 247 743 199 LYS H H 7.124 . 1 248 743 199 LYS N N 118.03 . 1 249 749 205 LYS H H 7.099 . 1 250 749 205 LYS N N 116.3 . 1 251 758 214 GLU H H 9.457 . 1 252 758 214 GLU N N 120.17 . 1 253 759 215 GLU H H 8.309 . 1 254 759 215 GLU N N 120.1 . 1 255 760 216 ALA H H 8.187 . 1 256 760 216 ALA N N 121.97 . 1 257 761 217 LEU H H 7.77 . 1 258 761 217 LEU N N 117.05 . 1 259 765 221 GLY H H 8.109 . 1 260 765 221 GLY N N 110.86 . 1 261 766 222 THR H H 8.108 . 1 262 766 222 THR N N 113.13 . 1 stop_ save_ save_NSH2CSH2DCTPY783 _Saveframe_category assigned_chemical_shifts _Details 'please refer to the paper for more information.' 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 $backbone_resonance_assignments _Mol_system_component_name 'PLCg1 tandem SH2' _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 1 547 3 ASN H H 8.68 . 1 2 547 3 ASN N N 120.23 . 1 3 548 4 GLU H H 7.951 . 1 4 548 4 GLU N N 119.99 . 1 5 551 7 PHE H H 7.667 . 1 6 551 7 PHE N N 123.43 . 1 7 556 12 GLY H H 8.828 . 1 8 556 12 GLY N N 110.65 . 1 9 558 14 GLY H H 8.594 . 1 10 558 14 GLY N N 108.75 . 1 11 561 17 GLY H H 8.805 . 1 12 561 17 GLY N N 110.17 . 1 13 567 23 ARG H H 8.07 . 1 14 567 23 ARG N N 123.12 . 1 15 568 24 LEU H H 8.478 . 1 16 568 24 LEU N N 120.55 . 1 17 572 28 TYR H H 7.9 . 1 18 572 28 TYR N N 118.07 . 1 19 573 29 CYS H H 8.503 . 1 20 573 29 CYS N N 118.74 . 1 21 574 30 ILE H H 8.072 . 1 22 574 30 ILE N N 120.86 . 1 23 575 31 GLU H H 7.923 . 1 24 575 31 GLU N N 119.15 . 1 25 576 32 THR H H 7.548 . 1 26 576 32 THR N N 104.4 . 1 27 577 33 GLY H H 7.42 . 1 28 577 33 GLY N N 112.56 . 1 29 578 34 ALA H H 7.248 . 1 30 578 34 ALA N N 123.23 . 1 31 582 38 SER H H 7.844 . 1 32 582 38 SER N N 123.03 . 1 33 584 40 LEU H H 9.094 . 1 34 584 40 LEU N N 114.41 . 1 35 585 41 VAL H H 9.236 . 1 36 585 41 VAL N N 119.73 . 1 37 589 45 GLU H H 10.256 . 1 38 589 45 GLU N N 128.74 . 1 39 591 47 PHE H H 7.955 . 1 40 591 47 PHE N N 123.89 . 1 41 592 48 VAL H H 8.011 . 1 42 592 48 VAL N N 123.23 . 1 43 594 50 ASP H H 7.981 . 1 44 594 50 ASP N N 120.38 . 1 45 595 51 TYR H H 8.893 . 1 46 595 51 TYR N N 116.95 . 1 47 596 52 THR H H 9.595 . 1 48 596 52 THR N N 118.86 . 1 49 597 53 LEU H H 9.39 . 1 50 597 53 LEU N N 132.48 . 1 51 598 54 SER H H 9.163 . 1 52 598 54 SER N N 125.04 . 1 53 600 56 TRP H H 8.949 . 1 54 600 56 TRP N N 123.08 . 1 55 602 58 ASN H H 9.393 . 1 56 602 58 ASN N N 128.5 . 1 57 603 59 GLY H H 7.004 . 1 58 603 59 GLY N N 102.2 . 1 59 604 60 LYS H H 6.787 . 1 60 604 60 LYS N N 118.67 . 1 61 605 61 VAL H H 8.241 . 1 62 605 61 VAL N N 120.02 . 1 63 606 62 GLN H H 8.581 . 1 64 606 62 GLN N N 127 . 1 65 608 64 CYS H H 9.829 . 1 66 608 64 CYS N N 121.25 . 1 67 611 67 HIS H H 8.595 . 1 68 611 67 HIS N N 126.38 . 1 69 613 69 ARG H H 8.587 . 1 70 613 69 ARG N N 123.79 . 1 71 614 70 GLN H H 8.736 . 1 72 614 70 GLN N N 122.29 . 1 73 615 71 ASP H H 8.524 . 1 74 615 71 ASP N N 123.96 . 1 75 617 73 GLY H H 8.329 . 1 76 617 73 GLY N N 105.85 . 1 77 618 74 THR H H 7.815 . 1 78 618 74 THR N N 116.8 . 1 79 620 76 LYS H H 8.113 . 1 80 620 76 LYS N N 118.91 . 1 81 621 77 PHE H H 9.061 . 1 82 621 77 PHE N N 117.38 . 1 83 622 78 PHE H H 8.908 . 1 84 622 78 PHE N N 116.14 . 1 85 623 79 LEU H H 10.107 . 1 86 623 79 LEU N N 121.85 . 1 87 624 80 THR H H 8.823 . 1 88 624 80 THR N N 113.48 . 1 89 626 82 ASN H H 7.93 . 1 90 626 82 ASN N N 114.27 . 1 91 627 83 LEU H H 7.689 . 1 92 627 83 LEU N N 124.97 . 1 93 628 84 VAL H H 7.86 . 1 94 628 84 VAL N N 120.91 . 1 95 629 85 PHE H H 9.35 . 1 96 629 85 PHE N N 122.35 . 1 97 630 86 ASP H H 9.925 . 1 98 630 86 ASP N N 120 . 1 99 631 87 SER H H 7.661 . 1 100 631 87 SER N N 108.7 . 1 101 633 89 TYR H H 8.649 . 1 102 633 89 TYR N N 119.12 . 1 103 634 90 ASP H H 8.321 . 1 104 634 90 ASP N N 122.08 . 1 105 635 91 LEU H H 6.951 . 1 106 635 91 LEU N N 123.03 . 1 107 636 92 ILE H H 8.047 . 1 108 636 92 ILE N N 119.4 . 1 109 638 94 HIS H H 7.444 . 1 110 638 94 HIS N N 120.64 . 1 111 639 95 TYR H H 7.367 . 1 112 639 95 TYR N N 115.8 . 1 113 640 96 GLN H H 7.325 . 1 114 640 96 GLN N N 115.77 . 1 115 641 97 GLN H H 7.563 . 1 116 641 97 GLN N N 118.73 . 1 117 644 100 LEU H H 8.303 . 1 118 644 100 LEU N N 121.33 . 1 119 645 101 ARG H H 8.093 . 1 120 645 101 ARG N N 121.98 . 1 121 646 102 CYS H H 8.232 . 1 122 646 102 CYS N N 125 . 1 123 648 104 GLU H H 8.712 . 1 124 648 104 GLU N N 117.83 . 1 125 650 106 GLU H H 8.447 . 1 126 650 106 GLU N N 118.81 . 1 127 651 107 MET H H 8.817 . 1 128 651 107 MET N N 122.87 . 1 129 653 109 LEU H H 8.437 . 1 130 653 109 LEU N N 123.65 . 1 131 654 110 SER H H 8.206 . 1 132 654 110 SER N N 115.76 . 1 133 655 111 GLU H H 8.057 . 1 134 655 111 GLU N N 125.82 . 1 135 657 113 VAL H H 8.251 . 1 136 657 113 VAL N N 126.25 . 1 137 660 116 THR H H 8.216 . 1 138 660 116 THR N N 117.98 . 1 139 668 124 TRP H H 6.252 . 1 140 668 124 TRP N N 109.24 . 1 141 669 125 TYR H H 7.469 . 1 142 669 125 TYR N N 122.51 . 1 143 671 127 ALA H H 8.401 . 1 144 671 127 ALA N N 125.94 . 1 145 672 128 SER H H 8.379 . 1 146 672 128 SER N N 112.12 . 1 147 673 129 LEU H H 8.316 . 1 148 673 129 LEU N N 127.91 . 1 149 688 144 ASP H H 8.765 . 1 150 688 144 ASP N N 124.32 . 1 151 689 145 GLY H H 9.635 . 1 152 689 145 GLY N N 108.91 . 1 153 690 146 ALA H H 7.754 . 1 154 690 146 ALA N N 125.64 . 1 155 692 148 LEU H H 9.355 . 1 156 692 148 LEU N N 114.71 . 1 157 694 150 ARG H H 9.566 . 1 158 694 150 ARG N N 122.22 . 1 159 695 151 LYS H H 7.881 . 1 160 695 151 LYS N N 124.53 . 1 161 696 152 ARG H H 8.102 . 1 162 696 152 ARG N N 126.86 . 1 163 703 159 ALA H H 9.642 . 1 164 703 159 ALA N N 121.34 . 1 165 704 160 ILE H H 9.087 . 1 166 704 160 ILE N N 120.86 . 1 167 706 162 PHE H H 8.625 . 1 168 706 162 PHE N N 120.86 . 1 169 709 165 GLU H H 9.54 . 1 170 709 165 GLU N N 123.51 . 1 171 710 166 GLY H H 9.489 . 1 172 710 166 GLY N N 105.67 . 1 173 713 169 LYS H H 8.369 . 1 174 713 169 LYS N N 128.61 . 1 175 719 175 GLN H H 8.763 . 1 176 719 175 GLN N N 125.57 . 1 177 720 176 GLU H H 8.764 . 1 178 720 176 GLU N N 129.96 . 1 179 721 177 GLY H H 8.945 . 1 180 721 177 GLY N N 115.97 . 1 181 723 179 THR H H 7.805 . 1 182 723 179 THR N N 113.43 . 1 183 724 180 VAL H H 8.663 . 1 184 724 180 VAL N N 117.39 . 1 185 725 181 MET H H 9.113 . 1 186 725 181 MET N N 121.49 . 1 187 727 183 GLY H H 9.142 . 1 188 727 183 GLY N N 118.01 . 1 189 728 184 ASN H H 8.925 . 1 190 728 184 ASN N N 125.12 . 1 191 729 185 SER H H 8.294 . 1 192 729 185 SER N N 118.21 . 1 193 730 186 GLU H H 8.03 . 1 194 730 186 GLU N N 124.53 . 1 195 731 187 PHE H H 9.125 . 1 196 731 187 PHE N N 120.55 . 1 197 732 188 ASP H H 9.387 . 1 198 732 188 ASP N N 119.58 . 1 199 733 189 SER H H 7.377 . 1 200 733 189 SER N N 105.17 . 1 201 736 192 ASP H H 7.81 . 1 202 736 192 ASP N N 121.49 . 1 203 737 193 LEU H H 7.418 . 1 204 737 193 LEU N N 123.37 . 1 205 739 195 SER H H 8.061 . 1 206 739 195 SER N N 112.31 . 1 207 742 198 GLU H H 7.204 . 1 208 742 198 GLU N N 116.5 . 1 209 743 199 LYS H H 7.142 . 1 210 743 199 LYS N N 118.1 . 1 211 749 205 LYS H H 7.085 . 1 212 749 205 LYS N N 116.09 . 1 213 750 206 MET H H 7.629 . 1 214 750 206 MET N N 119.86 . 1 215 758 214 GLU H H 9.475 . 1 216 758 214 GLU N N 120.13 . 1 217 759 215 GLU H H 8.308 . 1 218 759 215 GLU N N 120 . 1 219 760 216 ALA H H 8.192 . 1 220 760 216 ALA N N 121.92 . 1 221 761 217 LEU H H 7.766 . 1 222 761 217 LEU N N 116.97 . 1 223 765 221 GLY H H 8.105 . 1 224 765 221 GLY N N 110.79 . 1 225 766 222 THR H H 8.087 . 1 226 766 222 THR N N 113 . 1 stop_ save_ save_R687WNSH2CSH2PY783 _Saveframe_category assigned_chemical_shifts _Details 'please refer to the paper for more information.' 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 $backbone_resonance_assignments _Mol_system_component_name 'PLCg1 tandem SH2' _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 1 547 3 ASN H H 8.667 . 1 2 547 3 ASN N N 120.13 . 1 3 551 7 PHE H H 7.659 . 1 4 551 7 PHE N N 123.4 . 1 5 556 12 GLY H H 8.825 . 1 6 556 12 GLY N N 110.67 . 1 7 557 13 ALA H H 8.56 . 1 8 557 13 ALA N N 122.5 . 1 9 558 14 GLY H H 8.59 . 1 10 558 14 GLY N N 108.76 . 1 11 559 15 ARG H H 8.177 . 1 12 559 15 ARG N N 121.04 . 1 13 560 16 ASP H H 8.474 . 1 14 560 16 ASP N N 119.29 . 1 15 561 17 GLY H H 8.795 . 1 16 561 17 GLY N N 110.19 . 1 17 562 18 ARG H H 8.551 . 1 18 562 18 ARG N N 122.16 . 1 19 566 22 GLU H H 8.402 . 1 20 566 22 GLU N N 115.56 . 1 21 567 23 ARG H H 8.065 . 1 22 567 23 ARG N N 123.09 . 1 23 568 24 LEU H H 8.479 . 1 24 568 24 LEU N N 120.58 . 1 25 569 25 LEU H H 8.406 . 1 26 569 25 LEU N N 119.34 . 1 27 570 26 THR H H 8.066 . 1 28 570 26 THR N N 116.21 . 1 29 572 28 TYR H H 7.925 . 1 30 572 28 TYR N N 118.22 . 1 31 573 29 CYS H H 8.492 . 1 32 573 29 CYS N N 118.71 . 1 33 574 30 ILE H H 8.068 . 1 34 574 30 ILE N N 120.85 . 1 35 575 31 GLU H H 7.912 . 1 36 575 31 GLU N N 119.16 . 1 37 576 32 THR H H 7.552 . 1 38 576 32 THR N N 104.42 . 1 39 578 34 ALA H H 7.233 . 1 40 578 34 ALA N N 123.22 . 1 41 580 36 ASP H H 9.012 . 1 42 580 36 ASP N N 121.89 . 1 43 581 37 GLY H H 10.612 . 1 44 581 37 GLY N N 114.41 . 1 45 582 38 SER H H 7.846 . 1 46 582 38 SER N N 123.06 . 1 47 584 40 LEU H H 9.084 . 1 48 584 40 LEU N N 114.43 . 1 49 585 41 VAL H H 9.234 . 1 50 585 41 VAL N N 119.68 . 1 51 588 44 SER H H 8.049 . 1 52 588 44 SER N N 117.49 . 1 53 589 45 GLU H H 10.108 . 1 54 589 45 GLU N N 129.36 . 1 55 590 46 THR H H 8.428 . 1 56 590 46 THR N N 116.06 . 1 57 591 47 PHE H H 7.96 . 1 58 591 47 PHE N N 123.91 . 1 59 592 48 VAL H H 8.004 . 1 60 592 48 VAL N N 123.22 . 1 61 593 49 GLY H H 9.007 . 1 62 593 49 GLY N N 118.53 . 1 63 594 50 ASP H H 7.98 . 1 64 594 50 ASP N N 120.34 . 1 65 595 51 TYR H H 8.878 . 1 66 595 51 TYR N N 116.92 . 1 67 596 52 THR H H 9.592 . 1 68 596 52 THR N N 118.87 . 1 69 597 53 LEU H H 9.39 . 1 70 597 53 LEU N N 132.49 . 1 71 598 54 SER H H 9.156 . 1 72 598 54 SER N N 125.05 . 1 73 599 55 PHE H H 8.83 . 1 74 599 55 PHE N N 118.4 . 1 75 600 56 TRP H H 8.935 . 1 76 600 56 TRP N N 123.09 . 1 77 601 57 ARG H H 8.859 . 1 78 601 57 ARG N N 127.38 . 1 79 602 58 ASN H H 9.392 . 1 80 602 58 ASN N N 128.49 . 1 81 605 61 VAL H H 8.245 . 1 82 605 61 VAL N N 120.02 . 1 83 606 62 GLN H H 8.579 . 1 84 606 62 GLN N N 126.94 . 1 85 608 64 CYS H H 9.818 . 1 86 608 64 CYS N N 121.2 . 1 87 609 65 ARG H H 8.755 . 1 88 609 65 ARG N N 126.9 . 1 89 610 66 ILE H H 9.103 . 1 90 610 66 ILE N N 126.56 . 1 91 611 67 HIS H H 8.588 . 1 92 611 67 HIS N N 126.23 . 1 93 612 68 SER H H 8.419 . 1 94 612 68 SER N N 115.52 . 1 95 613 69 ARG H H 8.585 . 1 96 613 69 ARG N N 123.79 . 1 97 614 70 GLN H H 8.734 . 1 98 614 70 GLN N N 122.2 . 1 99 615 71 ASP H H 8.521 . 1 100 615 71 ASP N N 123.97 . 1 101 616 72 ALA H H 8.872 . 1 102 616 72 ALA N N 127.12 . 1 103 617 73 GLY H H 8.328 . 1 104 617 73 GLY N N 105.84 . 1 105 618 74 THR H H 7.811 . 1 106 618 74 THR N N 116.78 . 1 107 621 77 PHE H H 9.057 . 1 108 621 77 PHE N N 117.4 . 1 109 622 78 PHE H H 8.896 . 1 110 622 78 PHE N N 116.11 . 1 111 623 79 LEU H H 10.102 . 1 112 623 79 LEU N N 121.88 . 1 113 624 80 THR H H 8.809 . 1 114 624 80 THR N N 113.45 . 1 115 625 81 ASP H H 8.539 . 1 116 625 81 ASP N N 122.26 . 1 117 626 82 ASN H H 7.927 . 1 118 626 82 ASN N N 114.25 . 1 119 627 83 LEU H H 7.685 . 1 120 627 83 LEU N N 124.98 . 1 121 628 84 VAL H H 7.851 . 1 122 628 84 VAL N N 120.89 . 1 123 629 85 PHE H H 9.351 . 1 124 629 85 PHE N N 122.35 . 1 125 630 86 ASP H H 9.917 . 1 126 630 86 ASP N N 119.97 . 1 127 631 87 SER H H 7.659 . 1 128 631 87 SER N N 108.7 . 1 129 632 88 LEU H H 8.495 . 1 130 632 88 LEU N N 122.79 . 1 131 633 89 TYR H H 8.643 . 1 132 633 89 TYR N N 119.08 . 1 133 634 90 ASP H H 8.318 . 1 134 634 90 ASP N N 122.04 . 1 135 635 91 LEU H H 6.946 . 1 136 635 91 LEU N N 122.99 . 1 137 636 92 ILE H H 8.03 . 1 138 636 92 ILE N N 119.44 . 1 139 637 93 THR H H 7.707 . 1 140 637 93 THR N N 112.76 . 1 141 638 94 HIS H H 7.448 . 1 142 638 94 HIS N N 120.74 . 1 143 639 95 TYR H H 7.369 . 1 144 639 95 TYR N N 115.81 . 1 145 640 96 GLN H H 7.31 . 1 146 640 96 GLN N N 115.71 . 1 147 641 97 GLN H H 7.542 . 1 148 641 97 GLN N N 118.7 . 1 149 642 98 VAL H H 8.229 . 1 150 642 98 VAL N N 121.46 . 1 151 644 100 LEU H H 8.304 . 1 152 644 100 LEU N N 121.37 . 1 153 645 101 ARG H H 8.088 . 1 154 645 101 ARG N N 121.94 . 1 155 646 102 CYS H H 8.231 . 1 156 646 102 CYS N N 124.97 . 1 157 647 103 ASN H H 8.819 . 1 158 647 103 ASN N N 121.74 . 1 159 648 104 GLU H H 8.704 . 1 160 648 104 GLU N N 117.82 . 1 161 649 105 PHE H H 7.595 . 1 162 649 105 PHE N N 117.69 . 1 163 650 106 GLU H H 8.44 . 1 164 650 106 GLU N N 118.82 . 1 165 651 107 MET H H 8.808 . 1 166 651 107 MET N N 122.86 . 1 167 652 108 ARG H H 8.451 . 1 168 652 108 ARG N N 126.72 . 1 169 653 109 LEU H H 8.435 . 1 170 653 109 LEU N N 123.66 . 1 171 654 110 SER H H 8.202 . 1 172 654 110 SER N N 115.73 . 1 173 655 111 GLU H H 8.052 . 1 174 655 111 GLU N N 125.76 . 1 175 657 113 VAL H H 8.305 . 1 176 657 113 VAL N N 126.28 . 1 177 659 115 GLN H H 8.319 . 1 178 659 115 GLN N N 119.79 . 1 179 660 116 THR H H 8.245 . 1 180 660 116 THR N N 118.22 . 1 181 668 124 TRP H H 6.269 . 1 182 668 124 TRP N N 109.41 . 1 183 669 125 TYR H H 7.442 . 1 184 669 125 TYR N N 122.35 . 1 185 670 126 HIS H H 8.503 . 1 186 670 126 HIS N N 128.47 . 1 187 671 127 ALA H H 8.435 . 1 188 671 127 ALA N N 126.12 . 1 189 672 128 SER H H 8.37 . 1 190 672 128 SER N N 112.23 . 1 191 673 129 LEU H H 8.403 . 1 192 673 129 LEU N N 128.22 . 1 193 674 130 THR H H 8.876 . 1 194 674 130 THR N N 118.23 . 1 195 675 131 ARG H H 9.034 . 1 196 675 131 ARG N N 122.37 . 1 197 676 132 ALA H H 8.37 . 1 198 676 132 ALA N N 119.41 . 1 199 677 133 GLN H H 7.853 . 1 200 677 133 GLN N N 118.28 . 1 201 678 134 ALA H H 8.586 . 1 202 678 134 ALA N N 122.64 . 1 203 679 135 GLU H H 8.521 . 1 204 679 135 GLU N N 116.63 . 1 205 681 137 MET H H 7.622 . 1 206 681 137 MET N N 115.66 . 1 207 682 138 LEU H H 8.058 . 1 208 682 138 LEU N N 115.47 . 1 209 689 145 GLY H H 9.701 . 1 210 689 145 GLY N N 108.91 . 1 211 690 146 ALA H H 7.799 . 1 212 690 146 ALA N N 125.53 . 1 213 691 147 PHE H H 8.892 . 1 214 691 147 PHE N N 119.1 . 1 215 692 148 LEU H H 9.345 . 1 216 692 148 LEU N N 114.61 . 1 217 693 149 VAL H H 9.805 . 1 218 693 149 VAL N N 121.05 . 1 219 694 150 ARG H H 9.585 . 1 220 694 150 ARG N N 122.18 . 1 221 695 151 LYS H H 7.865 . 1 222 695 151 LYS N N 124.64 . 1 223 696 152 ARG H H 8.088 . 1 224 696 152 ARG N N 127.28 . 1 225 697 153 ASN H H 8.584 . 1 226 697 153 ASN N N 118.21 . 1 227 698 154 GLU H H 7.394 . 1 228 698 154 GLU N N 119.81 . 1 229 701 157 SER H H 7.655 . 1 230 701 157 SER N N 108.65 . 1 231 702 158 TYR H H 9.12 . 1 232 702 158 TYR N N 123.18 . 1 233 703 159 ALA H H 9.651 . 1 234 703 159 ALA N N 121.35 . 1 235 704 160 ILE H H 9.074 . 1 236 704 160 ILE N N 120.81 . 1 237 705 161 SER H H 9.272 . 1 238 705 161 SER N N 126.03 . 1 239 706 162 PHE H H 8.577 . 1 240 706 162 PHE N N 120.76 . 1 241 708 164 ALA H H 9.153 . 1 242 708 164 ALA N N 126.08 . 1 243 709 165 GLU H H 9.657 . 1 244 709 165 GLU N N 124.12 . 1 245 710 166 GLY H H 9.552 . 1 246 710 166 GLY N N 105.83 . 1 247 711 167 LYS H H 7.737 . 1 248 711 167 LYS N N 118.4 . 1 249 713 169 LYS H H 8.328 . 1 250 713 169 LYS N N 128.82 . 1 251 714 170 HIS H H 8.032 . 1 252 714 170 HIS N N 113.83 . 1 253 715 171 CYS H H 9.662 . 1 254 715 171 CYS N N 119.65 . 1 255 716 172 ARG H H 9.041 . 1 256 716 172 ARG N N 124.68 . 1 257 717 173 VAL H H 8.904 . 1 258 717 173 VAL N N 123.78 . 1 259 718 174 GLN H H 8.671 . 1 260 718 174 GLN N N 126.11 . 1 261 719 175 GLN H H 8.757 . 1 262 719 175 GLN N N 125.52 . 1 263 720 176 GLU H H 8.756 . 1 264 720 176 GLU N N 129.9 . 1 265 721 177 GLY H H 8.936 . 1 266 721 177 GLY N N 116.05 . 1 267 722 178 GLN H H 9.088 . 1 268 722 178 GLN N N 126.13 . 1 269 723 179 THR H H 7.748 . 1 270 723 179 THR N N 113.44 . 1 271 724 180 VAL H H 8.663 . 1 272 724 180 VAL N N 117.62 . 1 273 725 181 MET H H 9.112 . 1 274 725 181 MET N N 121.57 . 1 275 727 183 GLY H H 9.134 . 1 276 727 183 GLY N N 117.93 . 1 277 728 184 ASN H H 8.914 . 1 278 728 184 ASN N N 125.1 . 1 279 729 185 SER H H 8.306 . 1 280 729 185 SER N N 118.21 . 1 281 730 186 GLU H H 8.026 . 1 282 730 186 GLU N N 124.48 . 1 283 731 187 PHE H H 9.127 . 1 284 731 187 PHE N N 120.53 . 1 285 732 188 ASP H H 9.387 . 1 286 732 188 ASP N N 119.56 . 1 287 733 189 SER H H 7.375 . 1 288 733 189 SER N N 105.17 . 1 289 736 192 ASP H H 7.811 . 1 290 736 192 ASP N N 121.5 . 1 291 737 193 LEU H H 7.411 . 1 292 737 193 LEU N N 123.35 . 1 293 738 194 ILE H H 7.804 . 1 294 738 194 ILE N N 119.47 . 1 295 739 195 SER H H 8.063 . 1 296 739 195 SER N N 112.28 . 1 297 742 198 GLU H H 7.267 . 1 298 742 198 GLU N N 117.79 . 1 299 743 199 LYS H H 7.025 . 1 300 743 199 LYS N N 116.89 . 1 301 746 202 LEU H H 7.873 . 1 302 746 202 LEU N N 122.06 . 1 303 747 203 TYR H H 7.686 . 1 304 747 203 TYR N N 118.85 . 1 305 748 204 ARG H H 7.492 . 1 306 748 204 ARG N N 117.6 . 1 307 749 205 LYS H H 7.086 . 1 308 749 205 LYS N N 116.1 . 1 309 750 206 MET H H 7.617 . 1 310 750 206 MET N N 119.82 . 1 311 756 212 ILE H H 8.516 . 1 312 756 212 ILE N N 122.81 . 1 313 757 213 ASN H H 7.114 . 1 314 757 213 ASN N N 120.61 . 1 315 758 214 GLU H H 9.635 . 1 316 758 214 GLU N N 120.26 . 1 317 759 215 GLU H H 8.346 . 1 318 759 215 GLU N N 120.47 . 1 319 760 216 ALA H H 8.251 . 1 320 760 216 ALA N N 121.94 . 1 321 761 217 LEU H H 7.835 . 1 322 761 217 LEU N N 116.59 . 1 323 763 219 LYS H H 7.512 . 1 324 763 219 LYS N N 116.96 . 1 325 765 221 GLY H H 7.85 . 1 326 765 221 GLY N N 109.54 . 1 327 766 222 THR H H 8.537 . 1 328 766 222 THR N N 113.12 . 1 329 767 223 ALA H H 8.395 . 1 330 767 223 ALA N N 125.56 . 1 331 770 226 ASP H H 7.853 . 1 332 770 226 ASP N N 120.23 . 1 333 771 227 PHE H H 8.196 . 1 334 771 227 PHE N N 123.5 . 1 335 772 228 GLY H H 8.518 . 1 336 772 228 GLY N N 109.06 . 1 337 773 229 ALA H H 7.607 . 1 338 773 229 ALA N N 122.28 . 1 339 774 230 LEU H H 7.559 . 1 340 774 230 LEU N N 118.71 . 1 341 775 231 PHE H H 8.53 . 1 342 775 231 PHE N N 122.24 . 1 343 776 232 GLU H H 8.377 . 1 344 776 232 GLU N N 124.48 . 1 345 777 233 GLY H H 7.859 . 1 346 777 233 GLY N N 108.77 . 1 347 778 234 ARG H H 8.004 . 1 348 778 234 ARG N N 119.67 . 1 349 779 235 ASN H H 8.324 . 1 350 779 235 ASN N N 119 . 1 351 781 237 GLY H H 8.363 . 1 352 781 237 GLY N N 109.04 . 1 353 782 238 PHE H H 7.372 . 1 354 782 238 PHE N N 119.08 . 1 355 783 239 TYR H H 8.675 . 1 356 783 239 TYR N N 128.24 . 1 357 784 240 VAL H H 8.631 . 1 358 784 240 VAL N N 114.51 . 1 359 785 241 GLU H H 8.498 . 1 360 785 241 GLU N N 120.92 . 1 361 786 242 ALA H H 8.657 . 1 362 786 242 ALA N N 124.95 . 1 363 787 243 ASN H H 8.526 . 1 364 787 243 ASN N N 120.15 . 1 365 789 245 MET H H 8.427 . 1 366 789 245 MET N N 123.06 . 1 stop_ save_