data_30659 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of paxillin LIM4 in complex with kindlin-2 F0 ; _BMRB_accession_number 30659 _BMRB_flat_file_name bmr30659.str _Entry_type original _Submission_date 2019-08-26 _Accession_date 2019-08-26 _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 Zhu L. . . 2 Qin J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 823 "13C chemical shifts" 506 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-16 original BMRB . stop_ _Original_release_date 2019-09-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31590942 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhu Liang . . 2 Liu Huan . . 3 Lu Fan . . 4 Yang Jun . . 5 Byzova Tatiana V. . 6 Qin Jun . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fermitin family homolog 2, Paxillin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 'entity_3, 1' $entity_ZN 'entity_3, 2' $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13002.017 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GAMDPEFMALDGIRMPDGCY ADGTWELSVHVTDLNRDVTL RVTGEVHIGGVMLKLVEKLD VKKDWSDHALWWEKKRTWLL KTHWTLDKYGIQADAKLQFT PQHKLLRLQLPN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 ALA 3 -4 MET 4 -3 ASP 5 -2 PRO 6 -1 GLU 7 0 PHE 8 1 MET 9 2 ALA 10 3 LEU 11 4 ASP 12 5 GLY 13 6 ILE 14 7 ARG 15 8 MET 16 9 PRO 17 10 ASP 18 11 GLY 19 12 CYS 20 13 TYR 21 14 ALA 22 15 ASP 23 16 GLY 24 17 THR 25 18 TRP 26 19 GLU 27 20 LEU 28 21 SER 29 22 VAL 30 23 HIS 31 24 VAL 32 25 THR 33 26 ASP 34 27 LEU 35 28 ASN 36 29 ARG 37 30 ASP 38 31 VAL 39 32 THR 40 33 LEU 41 34 ARG 42 35 VAL 43 36 THR 44 37 GLY 45 38 GLU 46 39 VAL 47 40 HIS 48 41 ILE 49 42 GLY 50 43 GLY 51 44 VAL 52 45 MET 53 46 LEU 54 47 LYS 55 48 LEU 56 49 VAL 57 50 GLU 58 51 LYS 59 52 LEU 60 53 ASP 61 54 VAL 62 55 LYS 63 56 LYS 64 57 ASP 65 58 TRP 66 59 SER 67 60 ASP 68 61 HIS 69 62 ALA 70 63 LEU 71 64 TRP 72 65 TRP 73 66 GLU 74 67 LYS 75 68 LYS 76 69 ARG 77 70 THR 78 71 TRP 79 72 LEU 80 73 LEU 81 74 LYS 82 75 THR 83 76 HIS 84 77 TRP 85 78 THR 86 79 LEU 87 80 ASP 88 81 LYS 89 82 TYR 90 83 GLY 91 84 ILE 92 85 GLN 93 86 ALA 94 87 ASP 95 88 ALA 96 89 LYS 97 90 LEU 98 91 GLN 99 92 PHE 100 93 THR 101 94 PRO 102 95 GLN 103 96 HIS 104 97 LYS 105 98 LEU 106 99 LEU 107 100 ARG 108 101 LEU 109 102 GLN 110 103 LEU 111 104 PRO 112 105 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 8309.760 _Mol_thiol_state 'other bound and free' _Details . _Residue_count 72 _Mol_residue_sequence ; GAMDPEFYHERRGSLCSGCQ KPITGRCITAMAKKFHPEHF VCAFCLKQLNKGTFKEQNDK PYCQNCFLKLFC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 534 GLY 2 535 ALA 3 536 MET 4 537 ASP 5 538 PRO 6 539 GLU 7 540 PHE 8 541 TYR 9 542 HIS 10 543 GLU 11 544 ARG 12 545 ARG 13 546 GLY 14 547 SER 15 548 LEU 16 549 CYS 17 550 SER 18 551 GLY 19 552 CYS 20 553 GLN 21 554 LYS 22 555 PRO 23 556 ILE 24 557 THR 25 558 GLY 26 559 ARG 27 560 CYS 28 561 ILE 29 562 THR 30 563 ALA 31 564 MET 32 565 ALA 33 566 LYS 34 567 LYS 35 568 PHE 36 569 HIS 37 570 PRO 38 571 GLU 39 572 HIS 40 573 PHE 41 574 VAL 42 575 CYS 43 576 ALA 44 577 PHE 45 578 CYS 46 579 LEU 47 580 LYS 48 581 GLN 49 582 LEU 50 583 ASN 51 584 LYS 52 585 GLY 53 586 THR 54 587 PHE 55 588 LYS 56 589 GLU 57 590 GLN 58 591 ASN 59 592 ASP 60 593 LYS 61 594 PRO 62 595 TYR 63 596 CYS 64 597 GLN 65 598 ASN 66 599 CYS 67 600 PHE 68 601 LEU 69 602 LYS 70 603 LEU 71 604 PHE 72 605 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'FERMT2, KIND2, MIG2, PLEKHC1' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens PXN stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) plasmid pGST-1 $entity_2 'recombinant technology' . . . BL21(DE3) plasmid pGST-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.55 mM U-15N, U-13C paxillin LIM4, 0.89 mM kindlin-2 F0, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.55 mM '[U-15N; U-13C]' $entity_1 0.89 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.54 mM U-15N, U-13C kindlin-2 F0, 0.85 mM paxillin LIM4, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.85 mM 'natural abundance' $entity_1 0.54 mM 'U-15N, U-13C' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.55 mM U-15N, U-13C paxillin LIM4, 0.89 mM kindlin-2 F0, 99.8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.55 mM 'U-15N, U-13C' $entity_1 0.89 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.54 mM U-15N, U-13C kindlin-2 F0, 0.85 mM paxillin LIM4, 99.8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.85 mM 'natural abundance' $entity_1 0.54 mM 'U-15N, U-13C' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N/13C-edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-edited NOESY' _Sample_label $sample_1 save_ save_3D_15N/13C-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-edited NOESY' _Sample_label $sample_2 save_ save_3D_15N/13C-filtered_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered NOESY' _Sample_label $sample_3 save_ save_3D_15N/13C-filtered_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered NOESY' _Sample_label $sample_4 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' 50 . mM pH 6.8 . pH pressure 1 . Pa temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.8 . pH pressure 1 . Pa temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N/13C-edited NOESY' '3D 15N/13C-filtered NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 8 MET H H 7.920 0.03 1 2 1 8 MET HA H 4.235 0.03 1 3 1 8 MET HB2 H 1.905 0.03 2 4 1 8 MET HB3 H 1.805 0.03 2 5 1 8 MET HG2 H 2.385 0.03 2 6 1 8 MET HG3 H 2.340 0.03 2 7 1 8 MET CA C 55.330 0.50 1 8 1 8 MET CB C 32.780 0.50 1 9 1 8 MET CG C 31.750 0.50 1 10 1 8 MET N N 121.581 0.25 1 11 2 9 ALA H H 7.993 0.03 1 12 2 9 ALA HA H 4.155 0.03 1 13 2 9 ALA HB H 1.270 0.03 1 14 2 9 ALA CA C 52.220 0.50 1 15 2 9 ALA CB C 18.770 0.50 1 16 2 9 ALA N N 124.500 0.25 1 17 3 10 LEU H H 8.042 0.03 1 18 3 10 LEU HA H 4.188 0.03 1 19 3 10 LEU HB2 H 1.530 0.03 2 20 3 10 LEU HB3 H 1.470 0.03 2 21 3 10 LEU HG H 1.415 0.03 1 22 3 10 LEU HD1 H 0.715 0.03 2 23 3 10 LEU HD2 H 0.695 0.03 2 24 3 10 LEU CA C 55.060 0.50 1 25 3 10 LEU CB C 41.970 0.50 1 26 3 10 LEU CG C 26.720 0.50 1 27 3 10 LEU CD1 C 24.550 0.50 2 28 3 10 LEU CD2 C 23.480 0.50 2 29 3 10 LEU N N 121.021 0.25 1 30 4 11 ASP H H 8.120 0.03 1 31 4 11 ASP HA H 4.430 0.03 1 32 4 11 ASP HB2 H 2.545 0.03 2 33 4 11 ASP CA C 54.290 0.50 1 34 4 11 ASP CB C 40.950 0.50 1 35 4 11 ASP N N 119.765 0.25 1 36 5 12 GLY H H 8.090 0.03 1 37 5 12 GLY HA2 H 3.835 0.03 2 38 5 12 GLY CA C 45.150 0.50 1 39 5 12 GLY N N 108.268 0.25 1 40 6 13 ILE H H 7.765 0.03 1 41 6 13 ILE HA H 4.055 0.03 1 42 6 13 ILE HB H 1.760 0.03 1 43 6 13 ILE HG12 H 1.345 0.03 2 44 6 13 ILE HG13 H 1.045 0.03 2 45 6 13 ILE HG2 H 0.765 0.03 1 46 6 13 ILE HD1 H 0.730 0.03 1 47 6 13 ILE CA C 60.710 0.50 1 48 6 13 ILE CB C 38.430 0.50 1 49 6 13 ILE CG1 C 26.900 0.50 1 50 6 13 ILE CG2 C 17.330 0.50 1 51 6 13 ILE CD1 C 12.490 0.50 1 52 6 13 ILE N N 119.901 0.25 1 53 7 14 ARG H H 8.305 0.03 1 54 7 14 ARG HA H 4.115 0.03 1 55 7 14 ARG HB2 H 1.580 0.03 2 56 7 14 ARG HB3 H 1.515 0.03 2 57 7 14 ARG HG2 H 1.295 0.03 2 58 7 14 ARG HD2 H 2.932 0.03 2 59 7 14 ARG CA C 55.380 0.50 1 60 7 14 ARG CB C 30.990 0.50 1 61 7 14 ARG CG C 26.950 0.50 1 62 7 14 ARG CD C 43.000 0.50 1 63 7 14 ARG N N 125.586 0.25 1 64 8 15 MET H H 8.485 0.03 1 65 8 15 MET HA H 4.125 0.03 1 66 8 15 MET HB2 H 1.980 0.03 2 67 8 15 MET HG2 H 2.545 0.03 2 68 8 15 MET HG3 H 2.385 0.03 2 69 8 15 MET CA C 55.330 0.50 1 70 8 15 MET CB C 31.990 0.50 1 71 8 15 MET CG C 32.160 0.50 1 72 8 15 MET N N 123.601 0.25 1 73 9 16 PRO HA H 4.235 0.03 1 74 9 16 PRO HB2 H 2.210 0.03 2 75 9 16 PRO HB3 H 1.775 0.03 2 76 9 16 PRO HG2 H 1.910 0.03 2 77 9 16 PRO HD2 H 3.750 0.03 2 78 9 16 PRO HD3 H 3.560 0.03 2 79 9 16 PRO CA C 63.630 0.50 1 80 9 16 PRO CB C 31.820 0.50 1 81 9 16 PRO CG C 27.150 0.50 1 82 9 16 PRO CD C 50.560 0.50 1 83 10 17 ASP H H 7.986 0.03 1 84 10 17 ASP HA H 4.360 0.03 1 85 10 17 ASP HB2 H 2.660 0.03 2 86 10 17 ASP HB3 H 2.535 0.03 2 87 10 17 ASP CA C 54.130 0.50 1 88 10 17 ASP CB C 40.430 0.50 1 89 10 17 ASP N N 117.729 0.25 1 90 11 18 GLY H H 8.230 0.03 1 91 11 18 GLY HA2 H 3.983 0.03 2 92 11 18 GLY HA3 H 3.600 0.03 2 93 11 18 GLY CA C 45.040 0.50 1 94 11 18 GLY N N 108.659 0.25 1 95 12 19 CYS H H 7.810 0.03 1 96 12 19 CYS HA H 4.550 0.03 1 97 12 19 CYS HB2 H 2.825 0.03 2 98 12 19 CYS CA C 58.350 0.50 1 99 12 19 CYS CB C 28.400 0.50 1 100 12 19 CYS N N 118.111 0.25 1 101 13 20 TYR H H 8.575 0.03 1 102 13 20 TYR HA H 4.550 0.03 1 103 13 20 TYR HB2 H 3.020 0.03 2 104 13 20 TYR HB3 H 2.855 0.03 2 105 13 20 TYR CA C 58.470 0.50 1 106 13 20 TYR CB C 39.090 0.50 1 107 13 20 TYR N N 120.894 0.25 1 108 14 21 ALA H H 8.665 0.03 1 109 14 21 ALA HA H 4.145 0.03 1 110 14 21 ALA HB H 1.340 0.03 1 111 14 21 ALA CA C 53.450 0.50 1 112 14 21 ALA CB C 18.630 0.50 1 113 14 21 ALA N N 124.746 0.25 1 114 15 22 ASP H H 7.885 0.03 1 115 15 22 ASP HA H 4.425 0.03 1 116 15 22 ASP HB2 H 2.855 0.03 2 117 15 22 ASP HB3 H 2.515 0.03 2 118 15 22 ASP CA C 53.500 0.50 1 119 15 22 ASP CB C 40.370 0.50 1 120 15 22 ASP N N 117.118 0.25 1 121 16 23 GLY H H 8.299 0.03 1 122 16 23 GLY HA2 H 4.160 0.03 2 123 16 23 GLY HA3 H 3.825 0.03 2 124 16 23 GLY CA C 45.370 0.50 1 125 16 23 GLY N N 108.837 0.25 1 126 17 24 THR H H 7.815 0.03 1 127 17 24 THR HA H 4.660 0.03 1 128 17 24 THR HB H 3.900 0.03 1 129 17 24 THR HG2 H 0.820 0.03 1 130 17 24 THR CA C 60.540 0.50 1 131 17 24 THR CB C 72.100 0.50 1 132 17 24 THR CG2 C 21.300 0.50 1 133 17 24 THR N N 110.712 0.25 1 134 18 25 TRP H H 8.577 0.03 1 135 18 25 TRP HA H 4.945 0.03 1 136 18 25 TRP HB2 H 3.400 0.03 2 137 18 25 TRP HB3 H 3.275 0.03 2 138 18 25 TRP HD1 H 7.214 0.03 1 139 18 25 TRP HE1 H 9.780 0.03 1 140 18 25 TRP HZ2 H 7.018 0.03 1 141 18 25 TRP CA C 54.620 0.50 1 142 18 25 TRP CB C 30.650 0.50 1 143 18 25 TRP N N 117.279 0.25 1 144 18 25 TRP NE1 N 128.327 0.25 1 145 19 26 GLU H H 8.774 0.03 1 146 19 26 GLU HA H 4.866 0.03 1 147 19 26 GLU HB2 H 1.985 0.03 2 148 19 26 GLU HB3 H 1.755 0.03 2 149 19 26 GLU HG2 H 2.255 0.03 2 150 19 26 GLU HG3 H 1.900 0.03 2 151 19 26 GLU CA C 55.710 0.50 1 152 19 26 GLU CB C 31.500 0.50 1 153 19 26 GLU CG C 37.530 0.50 1 154 19 26 GLU N N 117.729 0.25 1 155 20 27 LEU HA H 4.880 0.03 1 156 20 27 LEU HB2 H 1.452 0.03 2 157 20 27 LEU HB3 H 1.150 0.03 2 158 20 27 LEU HG H 1.220 0.03 1 159 20 27 LEU HD1 H 0.735 0.03 2 160 20 27 LEU HD2 H 0.500 0.03 2 161 20 27 LEU CA C 53.252 0.50 1 162 20 27 LEU CB C 45.540 0.50 1 163 20 27 LEU CG C 26.970 0.50 1 164 20 27 LEU CD1 C 23.710 0.50 2 165 20 27 LEU CD2 C 26.690 0.50 2 166 21 28 SER H H 8.685 0.03 1 167 21 28 SER HA H 4.830 0.03 1 168 21 28 SER HB2 H 3.755 0.03 2 169 21 28 SER CA C 57.880 0.50 1 170 21 28 SER CB C 63.920 0.50 1 171 21 28 SER N N 121.369 0.25 1 172 22 29 VAL H H 8.865 0.03 1 173 22 29 VAL HA H 4.370 0.03 1 174 22 29 VAL HB H 1.665 0.03 1 175 22 29 VAL HG1 H 0.505 0.03 2 176 22 29 VAL HG2 H 0.480 0.03 2 177 22 29 VAL CA C 60.440 0.50 1 178 22 29 VAL CB C 34.450 0.50 1 179 22 29 VAL CG1 C 22.630 0.50 2 180 22 29 VAL CG2 C 20.180 0.50 2 181 22 29 VAL N N 125.883 0.25 1 182 23 30 HIS H H 8.695 0.03 1 183 23 30 HIS HA H 5.220 0.03 1 184 23 30 HIS HB2 H 3.220 0.03 2 185 23 30 HIS HB3 H 3.140 0.03 2 186 23 30 HIS CA C 55.250 0.50 1 187 23 30 HIS CB C 30.290 0.50 1 188 23 30 HIS N N 125.908 0.25 1 189 24 31 VAL H H 9.153 0.03 1 190 24 31 VAL HA H 4.865 0.03 1 191 24 31 VAL HB H 2.130 0.03 1 192 24 31 VAL HG1 H 1.310 0.03 2 193 24 31 VAL HG2 H 0.980 0.03 2 194 24 31 VAL CA C 61.640 0.50 1 195 24 31 VAL CB C 31.040 0.50 1 196 24 31 VAL CG1 C 22.350 0.50 2 197 24 31 VAL CG2 C 21.350 0.50 2 198 24 31 VAL N N 130.142 0.25 1 199 25 32 THR H H 8.290 0.03 1 200 25 32 THR HA H 3.885 0.03 1 201 25 32 THR HB H 4.250 0.03 1 202 25 32 THR HG2 H 1.385 0.03 1 203 25 32 THR CA C 66.210 0.50 1 204 25 32 THR CB C 68.220 0.50 1 205 25 32 THR CG2 C 22.150 0.50 1 206 25 32 THR N N 122.319 0.25 1 207 26 33 ASP CA C 56.331 0.50 1 208 26 33 ASP CB C 40.200 0.50 1 209 27 34 LEU HA H 4.430 0.03 1 210 27 34 LEU HB2 H 1.597 0.03 2 211 27 34 LEU HB3 H 1.515 0.03 2 212 27 34 LEU HG H 1.592 0.03 1 213 27 34 LEU HD1 H 0.960 0.03 2 214 27 34 LEU HD2 H 0.798 0.03 2 215 27 34 LEU CA C 53.750 0.50 1 216 27 34 LEU CB C 43.830 0.50 1 217 27 34 LEU CG C 27.060 0.50 1 218 27 34 LEU CD1 C 26.220 0.50 2 219 27 34 LEU CD2 C 22.560 0.50 2 220 28 35 ASN H H 7.767 0.03 1 221 28 35 ASN HA H 4.204 0.03 1 222 28 35 ASN HB2 H 3.243 0.03 2 223 28 35 ASN HB3 H 2.530 0.03 2 224 28 35 ASN HD21 H 7.485 0.03 2 225 28 35 ASN HD22 H 6.690 0.03 2 226 28 35 ASN CA C 53.650 0.50 1 227 28 35 ASN CB C 36.750 0.50 1 228 28 35 ASN N N 117.050 0.25 1 229 28 35 ASN ND2 N 110.220 0.25 1 230 29 36 ARG H H 6.752 0.03 1 231 29 36 ARG HA H 4.700 0.03 1 232 29 36 ARG HB2 H 1.555 0.03 2 233 29 36 ARG HB3 H 1.535 0.03 2 234 29 36 ARG HG2 H 1.510 0.03 2 235 29 36 ARG HG3 H 1.430 0.03 2 236 29 36 ARG HD2 H 3.090 0.03 2 237 29 36 ARG CA C 54.900 0.50 1 238 29 36 ARG CB C 34.700 0.50 1 239 29 36 ARG CG C 26.200 0.50 1 240 29 36 ARG CD C 43.210 0.50 1 241 29 36 ARG N N 114.530 0.25 1 242 30 37 ASP H H 8.800 0.03 1 243 30 37 ASP HA H 5.520 0.03 1 244 30 37 ASP HB2 H 2.438 0.03 2 245 30 37 ASP CA C 53.660 0.50 1 246 30 37 ASP CB C 42.260 0.50 1 247 30 37 ASP N N 124.067 0.25 1 248 31 38 VAL H H 9.082 0.03 1 249 31 38 VAL HA H 4.275 0.03 1 250 31 38 VAL HB H 1.660 0.03 1 251 31 38 VAL HG1 H 0.635 0.03 2 252 31 38 VAL HG2 H 0.680 0.03 2 253 31 38 VAL CA C 60.700 0.50 1 254 31 38 VAL CB C 35.140 0.50 1 255 31 38 VAL CG1 C 20.590 0.50 2 256 31 38 VAL CG2 C 21.660 0.50 2 257 31 38 VAL N N 122.430 0.25 1 258 32 39 THR H H 8.405 0.03 1 259 32 39 THR HA H 5.040 0.03 1 260 32 39 THR HB H 3.805 0.03 1 261 32 39 THR HG2 H 0.985 0.03 1 262 32 39 THR CA C 60.810 0.50 1 263 32 39 THR CB C 70.170 0.50 1 264 32 39 THR CG2 C 21.710 0.50 1 265 32 39 THR N N 120.419 0.25 1 266 33 40 LEU H H 8.775 0.03 1 267 33 40 LEU HA H 4.590 0.03 1 268 33 40 LEU HB2 H 1.340 0.03 2 269 33 40 LEU HB3 H 1.050 0.03 2 270 33 40 LEU HD1 H 0.505 0.03 2 271 33 40 LEU HD2 H 0.540 0.03 2 272 33 40 LEU CA C 52.580 0.50 1 273 33 40 LEU CB C 45.550 0.50 1 274 33 40 LEU CD1 C 26.730 0.50 2 275 33 40 LEU CD2 C 23.780 0.50 2 276 33 40 LEU N N 124.670 0.25 1 277 34 41 ARG H H 8.285 0.03 1 278 34 41 ARG HA H 4.635 0.03 1 279 34 41 ARG HB2 H 1.490 0.03 2 280 34 41 ARG HB3 H 1.560 0.03 2 281 34 41 ARG HG2 H 1.342 0.03 2 282 34 41 ARG HG3 H 1.162 0.03 2 283 34 41 ARG HD2 H 2.762 0.03 2 284 34 41 ARG HD3 H 2.687 0.03 2 285 34 41 ARG CA C 55.420 0.50 1 286 34 41 ARG CB C 29.500 0.50 1 287 34 41 ARG CG C 26.860 0.50 1 288 34 41 ARG CD C 42.660 0.50 1 289 34 41 ARG N N 122.268 0.25 1 290 35 42 VAL H H 8.640 0.03 1 291 35 42 VAL HA H 4.410 0.03 1 292 35 42 VAL HB H 1.520 0.03 1 293 35 42 VAL HG1 H 0.340 0.03 2 294 35 42 VAL HG2 H -0.910 0.03 2 295 35 42 VAL CA C 58.590 0.50 1 296 35 42 VAL CB C 35.790 0.50 1 297 35 42 VAL CG1 C 21.310 0.50 2 298 35 42 VAL CG2 C 16.690 0.50 2 299 35 42 VAL N N 117.797 0.25 1 300 36 43 THR H H 6.150 0.03 1 301 36 43 THR HA H 4.123 0.03 1 302 36 43 THR HB H 4.370 0.03 1 303 36 43 THR HG2 H 0.963 0.03 1 304 36 43 THR CA C 59.460 0.50 1 305 36 43 THR CB C 71.570 0.50 1 306 36 43 THR CG2 C 21.750 0.50 1 307 36 43 THR N N 104.136 0.25 1 308 37 44 GLY H H 9.125 0.03 1 309 37 44 GLY HA2 H 4.325 0.03 2 310 37 44 GLY HA3 H 3.935 0.03 2 311 37 44 GLY CA C 46.830 0.50 1 312 37 44 GLY N N 105.791 0.25 1 313 38 45 GLU H H 7.470 0.03 1 314 38 45 GLU HA H 4.290 0.03 1 315 38 45 GLU HB2 H 1.725 0.03 2 316 38 45 GLU HB3 H 2.075 0.03 2 317 38 45 GLU HG2 H 2.190 0.03 2 318 38 45 GLU CA C 55.500 0.50 1 319 38 45 GLU CB C 29.600 0.50 1 320 38 45 GLU CG C 36.210 0.50 1 321 38 45 GLU N N 113.979 0.25 1 322 39 46 VAL H H 7.230 0.03 1 323 39 46 VAL HA H 3.725 0.03 1 324 39 46 VAL HB H 1.890 0.03 1 325 39 46 VAL HG1 H 0.940 0.03 2 326 39 46 VAL HG2 H 0.860 0.03 2 327 39 46 VAL CA C 63.400 0.50 1 328 39 46 VAL CB C 31.590 0.50 1 329 39 46 VAL CG1 C 23.150 0.50 2 330 39 46 VAL CG2 C 21.310 0.50 2 331 39 46 VAL N N 121.802 0.25 1 332 40 47 HIS H H 8.395 0.03 1 333 40 47 HIS HA H 5.212 0.03 1 334 40 47 HIS HB2 H 3.140 0.03 2 335 40 47 HIS HB3 H 3.300 0.03 2 336 40 47 HIS CA C 54.660 0.50 1 337 40 47 HIS CB C 30.910 0.50 1 338 40 47 HIS N N 123.388 0.25 1 339 41 48 ILE H H 8.743 0.03 1 340 41 48 ILE HA H 3.450 0.03 1 341 41 48 ILE HB H 2.364 0.03 1 342 41 48 ILE HG12 H 1.400 0.03 2 343 41 48 ILE HG13 H 1.990 0.03 2 344 41 48 ILE HG2 H 0.505 0.03 1 345 41 48 ILE HD1 H 0.795 0.03 1 346 41 48 ILE CA C 62.450 0.50 1 347 41 48 ILE CB C 34.230 0.50 1 348 41 48 ILE CG1 C 27.800 0.50 1 349 41 48 ILE CG2 C 9.300 0.50 1 350 41 48 ILE CD1 C 17.880 0.50 1 351 41 48 ILE N N 124.067 0.25 1 352 42 49 GLY H H 9.670 0.03 1 353 42 49 GLY HA2 H 3.720 0.03 2 354 42 49 GLY HA3 H 3.822 0.03 2 355 42 49 GLY CA C 47.150 0.50 1 356 42 49 GLY N N 107.505 0.25 1 357 43 50 GLY HA2 H 3.789 0.03 2 358 43 50 GLY HA3 H 3.490 0.03 2 359 43 50 GLY CA C 47.000 0.50 1 360 44 51 VAL H H 7.770 0.03 1 361 44 51 VAL HA H 3.030 0.03 1 362 44 51 VAL HB H 2.135 0.03 1 363 44 51 VAL HG1 H 0.668 0.03 2 364 44 51 VAL HG2 H 0.375 0.03 2 365 44 51 VAL CA C 66.660 0.50 1 366 44 51 VAL CB C 30.550 0.50 1 367 44 51 VAL CG1 C 23.320 0.50 2 368 44 51 VAL CG2 C 21.140 0.50 2 369 44 51 VAL N N 122.956 0.25 1 370 45 52 MET HA H 3.410 0.03 1 371 45 52 MET HB2 H 2.185 0.03 2 372 45 52 MET HG2 H 2.754 0.03 2 373 45 52 MET HE H 2.282 0.03 1 374 45 52 MET CA C 59.830 0.50 1 375 45 52 MET CB C 32.310 0.50 1 376 45 52 MET CG C 32.280 0.50 1 377 45 52 MET CE C 16.390 0.50 1 378 46 53 LEU H H 7.635 0.03 1 379 46 53 LEU HA H 3.830 0.03 1 380 46 53 LEU HB2 H 1.615 0.03 2 381 46 53 LEU HB3 H 1.508 0.03 2 382 46 53 LEU HG H 1.680 0.03 1 383 46 53 LEU HD1 H 0.725 0.03 2 384 46 53 LEU HD2 H 0.725 0.03 2 385 46 53 LEU CA C 57.950 0.50 1 386 46 53 LEU CB C 41.930 0.50 1 387 46 53 LEU CG C 26.700 0.50 1 388 46 53 LEU CD1 C 24.840 0.50 2 389 46 53 LEU CD2 C 23.450 0.50 2 390 46 53 LEU N N 117.924 0.25 1 391 47 54 LYS HA H 3.825 0.03 1 392 47 54 LYS HB2 H 1.645 0.03 2 393 47 54 LYS HB3 H 1.560 0.03 2 394 47 54 LYS HG2 H 1.358 0.03 2 395 47 54 LYS HD2 H 1.280 0.03 2 396 47 54 LYS HD3 H 1.475 0.03 2 397 47 54 LYS HE2 H 2.785 0.03 2 398 47 54 LYS CA C 57.980 0.50 1 399 47 54 LYS CB C 32.840 0.50 1 400 47 54 LYS CG C 24.970 0.50 1 401 47 54 LYS CD C 28.490 0.50 1 402 47 54 LYS CE C 41.760 0.50 1 403 48 55 LEU H H 8.020 0.03 1 404 48 55 LEU HA H 3.570 0.03 1 405 48 55 LEU HB2 H 1.125 0.03 2 406 48 55 LEU HG H 0.925 0.03 1 407 48 55 LEU HD1 H 0.140 0.03 2 408 48 55 LEU HD2 H -0.118 0.03 2 409 48 55 LEU CA C 57.790 0.50 1 410 48 55 LEU CB C 41.590 0.50 1 411 48 55 LEU CG C 26.280 0.50 1 412 48 55 LEU CD1 C 24.350 0.50 2 413 48 55 LEU CD2 C 25.390 0.50 2 414 48 55 LEU N N 119.324 0.25 1 415 49 56 VAL HA H 2.920 0.03 1 416 49 56 VAL HB H 1.940 0.03 1 417 49 56 VAL HG1 H 0.790 0.03 2 418 49 56 VAL HG2 H 0.695 0.03 2 419 49 56 VAL CA C 66.310 0.50 1 420 49 56 VAL CB C 31.300 0.50 1 421 49 56 VAL CG1 C 21.090 0.50 2 422 49 56 VAL CG2 C 21.690 0.50 2 423 50 57 GLU HA H 4.000 0.03 1 424 50 57 GLU HB2 H 2.065 0.03 2 425 50 57 GLU HG2 H 2.410 0.03 2 426 50 57 GLU HG3 H 2.095 0.03 2 427 50 57 GLU CA C 58.760 0.50 1 428 50 57 GLU CB C 29.610 0.50 1 429 50 57 GLU CG C 36.580 0.50 1 430 51 58 LYS H H 7.490 0.03 1 431 51 58 LYS HA H 4.055 0.03 1 432 51 58 LYS HB2 H 1.770 0.03 2 433 51 58 LYS HG2 H 1.350 0.03 2 434 51 58 LYS HG3 H 1.500 0.03 2 435 51 58 LYS HD2 H 1.500 0.03 2 436 51 58 LYS HD3 H 1.358 0.03 2 437 51 58 LYS HE2 H 2.887 0.03 2 438 51 58 LYS CA C 57.180 0.50 1 439 51 58 LYS CB C 32.400 0.50 1 440 51 58 LYS CG C 24.960 0.50 1 441 51 58 LYS CD C 28.790 0.50 1 442 51 58 LYS CE C 42.000 0.50 1 443 51 58 LYS N N 117.924 0.25 1 444 52 59 LEU HA H 4.162 0.03 1 445 52 59 LEU HB2 H 1.170 0.03 2 446 52 59 LEU HG H 1.555 0.03 1 447 52 59 LEU HD1 H 0.500 0.03 2 448 52 59 LEU CA C 54.860 0.50 1 449 52 59 LEU CB C 42.700 0.50 1 450 52 59 LEU CG C 25.450 0.50 1 451 52 59 LEU CD1 C 22.850 0.50 2 452 53 60 ASP HA H 4.425 0.03 1 453 53 60 ASP HB2 H 2.860 0.03 2 454 53 60 ASP HB3 H 2.695 0.03 2 455 53 60 ASP CA C 54.600 0.50 1 456 53 60 ASP CB C 40.280 0.50 1 457 54 61 VAL H H 8.113 0.03 1 458 54 61 VAL HA H 4.286 0.03 1 459 54 61 VAL HB H 2.191 0.03 1 460 54 61 VAL HG1 H 0.856 0.03 2 461 54 61 VAL CA C 61.890 0.50 1 462 54 61 VAL CB C 33.280 0.50 1 463 54 61 VAL CG1 C 20.290 0.50 2 464 54 61 VAL N N 124.670 0.25 1 465 55 62 LYS HA H 4.280 0.03 1 466 55 62 LYS HB2 H 1.661 0.03 2 467 55 62 LYS HG2 H 1.355 0.03 2 468 55 62 LYS HG3 H 1.235 0.03 2 469 55 62 LYS HD2 H 1.565 0.03 2 470 55 62 LYS HE2 H 2.870 0.03 2 471 55 62 LYS CA C 56.040 0.50 1 472 55 62 LYS CB C 30.990 0.50 1 473 55 62 LYS CG C 24.700 0.50 1 474 55 62 LYS CD C 28.650 0.50 1 475 55 62 LYS CE C 41.870 0.50 1 476 56 63 LYS HA H 3.940 0.03 1 477 56 63 LYS HB2 H 1.072 0.03 2 478 56 63 LYS HD2 H 1.090 0.03 2 479 56 63 LYS HE2 H 2.341 0.03 2 480 56 63 LYS CA C 54.530 0.50 1 481 56 63 LYS CB C 34.440 0.50 1 482 56 63 LYS CG C 24.490 0.50 1 483 56 63 LYS CD C 28.570 0.50 1 484 56 63 LYS CE C 41.850 0.50 1 485 57 64 ASP H H 7.857 0.03 1 486 57 64 ASP HA H 4.530 0.03 1 487 57 64 ASP HB2 H 2.593 0.03 2 488 57 64 ASP HB3 H 2.350 0.03 2 489 57 64 ASP CA C 52.500 0.50 1 490 57 64 ASP CB C 40.320 0.50 1 491 57 64 ASP N N 118.645 0.25 1 492 58 65 TRP HA H 4.540 0.03 1 493 58 65 TRP HB2 H 3.479 0.03 2 494 58 65 TRP HB3 H 2.910 0.03 2 495 58 65 TRP CA C 52.860 0.50 1 496 58 65 TRP CB C 29.420 0.50 1 497 59 66 SER H H 8.640 0.03 1 498 59 66 SER HA H 4.048 0.03 1 499 59 66 SER HB2 H 3.965 0.03 2 500 59 66 SER HB3 H 3.948 0.03 2 501 59 66 SER CA C 62.350 0.50 1 502 59 66 SER CB C 63.110 0.50 1 503 59 66 SER N N 117.729 0.25 1 504 60 67 ASP H H 8.965 0.03 1 505 60 67 ASP HA H 4.885 0.03 1 506 60 67 ASP HB2 H 2.540 0.03 2 507 60 67 ASP CA C 53.550 0.50 1 508 60 67 ASP CB C 42.560 0.50 1 509 60 67 ASP N N 121.038 0.25 1 510 61 68 HIS H H 7.913 0.03 1 511 61 68 HIS HA H 4.295 0.03 1 512 61 68 HIS HB2 H 2.675 0.03 2 513 61 68 HIS HB3 H 0.829 0.03 2 514 61 68 HIS CA C 56.860 0.50 1 515 61 68 HIS CB C 30.500 0.50 1 516 61 68 HIS N N 121.530 0.25 1 517 62 69 ALA H H 8.620 0.03 1 518 62 69 ALA HA H 3.622 0.03 1 519 62 69 ALA HB H 1.370 0.03 1 520 62 69 ALA CA C 51.026 0.50 1 521 62 69 ALA CB C 23.280 0.50 1 522 62 69 ALA N N 122.260 0.25 1 523 63 70 LEU H H 9.075 0.03 1 524 63 70 LEU HA H 5.654 0.03 1 525 63 70 LEU HB2 H 2.075 0.03 2 526 63 70 LEU HB3 H 1.140 0.03 2 527 63 70 LEU HG H 1.770 0.03 1 528 63 70 LEU HD1 H 0.633 0.03 2 529 63 70 LEU HD2 H 0.765 0.03 2 530 63 70 LEU CA C 53.930 0.50 1 531 63 70 LEU CB C 44.300 0.50 1 532 63 70 LEU CG C 26.910 0.50 1 533 63 70 LEU CD1 C 23.750 0.50 2 534 63 70 LEU CD2 C 26.130 0.50 2 535 63 70 LEU N N 119.553 0.25 1 536 64 71 TRP H H 9.590 0.03 1 537 64 71 TRP HA H 5.235 0.03 1 538 64 71 TRP HB2 H 2.550 0.03 2 539 64 71 TRP HB3 H 2.168 0.03 2 540 64 71 TRP HE1 H 10.365 0.03 1 541 64 71 TRP CA C 56.220 0.50 1 542 64 71 TRP CB C 32.210 0.50 1 543 64 71 TRP N N 125.348 0.25 1 544 64 71 TRP NE1 N 128.827 0.25 1 545 65 72 TRP H H 8.252 0.03 1 546 65 72 TRP HA H 4.980 0.03 1 547 65 72 TRP HB2 H 3.210 0.03 2 548 65 72 TRP HB3 H 3.140 0.03 2 549 65 72 TRP HE1 H 10.280 0.03 1 550 65 72 TRP CA C 51.440 0.50 1 551 65 72 TRP CB C 30.490 0.50 1 552 65 72 TRP N N 129.888 0.25 1 553 65 72 TRP NE1 N 127.665 0.25 1 554 66 73 GLU H H 8.899 0.03 1 555 66 73 GLU HA H 3.250 0.03 1 556 66 73 GLU HB2 H 2.160 0.03 2 557 66 73 GLU HB3 H 2.010 0.03 2 558 66 73 GLU HG2 H 2.220 0.03 2 559 66 73 GLU HG3 H 2.110 0.03 2 560 66 73 GLU CA C 59.920 0.50 1 561 66 73 GLU CB C 29.060 0.50 1 562 66 73 GLU CG C 35.110 0.50 1 563 66 73 GLU N N 128.997 0.25 1 564 67 74 LYS H H 7.810 0.03 1 565 67 74 LYS HA H 3.657 0.03 1 566 67 74 LYS HB2 H 1.694 0.03 2 567 67 74 LYS HB3 H 0.841 0.03 2 568 67 74 LYS HG2 H 0.988 0.03 2 569 67 74 LYS HG3 H 1.180 0.03 2 570 67 74 LYS HD2 H 1.491 0.03 2 571 67 74 LYS HE2 H 2.810 0.03 2 572 67 74 LYS CA C 58.660 0.50 1 573 67 74 LYS CB C 32.540 0.50 1 574 67 74 LYS CG C 24.550 0.50 1 575 67 74 LYS CD C 28.920 0.50 1 576 67 74 LYS CE C 41.740 0.50 1 577 67 74 LYS N N 117.373 0.25 1 578 68 75 LYS H H 7.445 0.03 1 579 68 75 LYS HA H 3.895 0.03 1 580 68 75 LYS HB2 H 1.345 0.03 2 581 68 75 LYS HB3 H 0.121 0.03 2 582 68 75 LYS HG2 H -0.100 0.03 2 583 68 75 LYS HG3 H -0.155 0.03 2 584 68 75 LYS HD2 H 0.980 0.03 2 585 68 75 LYS HE2 H 2.545 0.03 2 586 68 75 LYS HE3 H 2.480 0.03 2 587 68 75 LYS CA C 53.140 0.50 1 588 68 75 LYS CB C 32.200 0.50 1 589 68 75 LYS CG C 23.650 0.50 1 590 68 75 LYS CD C 27.770 0.50 1 591 68 75 LYS CE C 41.600 0.50 1 592 68 75 LYS N N 121.191 0.25 1 593 69 76 ARG H H 7.445 0.03 1 594 69 76 ARG HA H 2.810 0.03 1 595 69 76 ARG HB2 H 1.770 0.03 2 596 69 76 ARG HB3 H 1.520 0.03 2 597 69 76 ARG HD2 H 3.165 0.03 2 598 69 76 ARG CA C 56.316 0.50 1 599 69 76 ARG CB C 27.090 0.50 1 600 69 76 ARG CD C 43.120 0.50 1 601 69 76 ARG N N 121.191 0.25 1 602 70 77 THR H H 6.230 0.03 1 603 70 77 THR HA H 4.545 0.03 1 604 70 77 THR HB H 3.540 0.03 1 605 70 77 THR HG2 H 1.085 0.03 1 606 70 77 THR CA C 61.630 0.50 1 607 70 77 THR CB C 72.350 0.50 1 608 70 77 THR CG2 C 20.190 0.50 1 609 70 77 THR N N 110.475 0.25 1 610 71 78 TRP H H 8.805 0.03 1 611 71 78 TRP HA H 4.750 0.03 1 612 71 78 TRP HB2 H 3.222 0.03 2 613 71 78 TRP HB3 H 3.135 0.03 2 614 71 78 TRP HE1 H 9.990 0.03 1 615 71 78 TRP CA C 56.240 0.50 1 616 71 78 TRP CB C 30.500 0.50 1 617 71 78 TRP N N 127.096 0.25 1 618 71 78 TRP NE1 N 130.355 0.25 1 619 72 79 LEU H H 9.175 0.03 1 620 72 79 LEU HA H 4.435 0.03 1 621 72 79 LEU HB2 H 1.855 0.03 2 622 72 79 LEU HB3 H 0.710 0.03 2 623 72 79 LEU HG H 1.191 0.03 1 624 72 79 LEU HD1 H 0.367 0.03 2 625 72 79 LEU HD2 H -0.040 0.03 2 626 72 79 LEU CA C 52.250 0.50 1 627 72 79 LEU CB C 38.240 0.50 1 628 72 79 LEU CG C 25.290 0.50 1 629 72 79 LEU CD1 C 26.840 0.50 2 630 72 79 LEU CD2 C 21.850 0.50 2 631 72 79 LEU N N 125.425 0.25 1 632 73 80 LEU H H 7.230 0.03 1 633 73 80 LEU HA H 4.324 0.03 1 634 73 80 LEU HB2 H 1.610 0.03 2 635 73 80 LEU HG H 1.584 0.03 1 636 73 80 LEU HD1 H 0.790 0.03 2 637 73 80 LEU HD2 H 0.660 0.03 2 638 73 80 LEU CA C 54.700 0.50 1 639 73 80 LEU CB C 42.170 0.50 1 640 73 80 LEU CG C 26.550 0.50 1 641 73 80 LEU CD1 C 24.950 0.50 2 642 73 80 LEU CD2 C 21.770 0.50 2 643 73 80 LEU N N 118.951 0.25 1 644 74 81 LYS H H 7.885 0.03 1 645 74 81 LYS HA H 4.357 0.03 1 646 74 81 LYS HB2 H 1.237 0.03 2 647 74 81 LYS HG2 H 1.253 0.03 2 648 74 81 LYS HG3 H 0.265 0.03 2 649 74 81 LYS HD2 H 0.570 0.03 2 650 74 81 LYS HD3 H 0.105 0.03 2 651 74 81 LYS HE2 H 2.465 0.03 2 652 74 81 LYS HE3 H 2.410 0.03 2 653 74 81 LYS CA C 54.660 0.50 1 654 74 81 LYS CB C 29.090 0.50 1 655 74 81 LYS CG C 23.470 0.50 1 656 74 81 LYS CD C 27.900 0.50 1 657 74 81 LYS CE C 42.020 0.50 1 658 74 81 LYS N N 119.553 0.25 1 659 75 82 THR HA H 3.769 0.03 1 660 75 82 THR HB H 4.194 0.03 1 661 75 82 THR HG2 H 1.175 0.03 1 662 75 82 THR CA C 64.650 0.50 1 663 75 82 THR CB C 68.260 0.50 1 664 75 82 THR CG2 C 23.080 0.50 1 665 76 83 HIS H H 8.835 0.03 1 666 76 83 HIS HA H 4.773 0.03 1 667 76 83 HIS HB2 H 3.305 0.03 2 668 76 83 HIS HB3 H 3.047 0.03 2 669 76 83 HIS CA C 56.612 0.50 1 670 76 83 HIS CB C 30.210 0.50 1 671 76 83 HIS N N 117.118 0.25 1 672 77 84 TRP H H 7.533 0.03 1 673 77 84 TRP HA H 4.733 0.03 1 674 77 84 TRP HB2 H 3.430 0.03 2 675 77 84 TRP HB3 H 2.854 0.03 2 676 77 84 TRP HE1 H 10.100 0.03 1 677 77 84 TRP CA C 57.850 0.50 1 678 77 84 TRP CB C 30.390 0.50 1 679 77 84 TRP N N 123.032 0.25 1 680 77 84 TRP NE1 N 127.198 0.25 1 681 78 85 THR H H 6.970 0.03 1 682 78 85 THR HA H 4.900 0.03 1 683 78 85 THR HB H 5.000 0.03 1 684 78 85 THR HG2 H 1.105 0.03 1 685 78 85 THR CA C 59.500 0.50 1 686 78 85 THR CB C 70.600 0.50 1 687 78 85 THR CG2 C 22.230 0.50 1 688 78 85 THR N N 108.099 0.25 1 689 79 86 LEU H H 8.020 0.03 1 690 79 86 LEU HA H 3.975 0.03 1 691 79 86 LEU HB2 H 2.060 0.03 2 692 79 86 LEU HB3 H 1.635 0.03 2 693 79 86 LEU HG H 1.680 0.03 1 694 79 86 LEU HD1 H 0.515 0.03 2 695 79 86 LEU HD2 H 0.575 0.03 2 696 79 86 LEU CA C 58.750 0.50 1 697 79 86 LEU CB C 40.450 0.50 1 698 79 86 LEU CG C 26.420 0.50 1 699 79 86 LEU CD1 C 22.950 0.50 2 700 79 86 LEU CD2 C 26.310 0.50 2 701 79 86 LEU N N 119.324 0.25 1 702 80 87 ASP H H 8.875 0.03 1 703 80 87 ASP HA H 4.385 0.03 1 704 80 87 ASP HB2 H 2.415 0.03 2 705 80 87 ASP HB3 H 2.350 0.03 2 706 80 87 ASP CA C 57.320 0.50 1 707 80 87 ASP CB C 40.320 0.50 1 708 80 87 ASP N N 118.408 0.25 1 709 81 88 LYS H H 8.075 0.03 1 710 81 88 LYS HA H 3.650 0.03 1 711 81 88 LYS HB2 H 1.420 0.03 2 712 81 88 LYS HG2 H 0.145 0.03 2 713 81 88 LYS HG3 H 0.470 0.03 2 714 81 88 LYS HD2 H 0.904 0.03 2 715 81 88 LYS HD3 H 0.374 0.03 2 716 81 88 LYS HE2 H 2.936 0.03 2 717 81 88 LYS CA C 59.020 0.50 1 718 81 88 LYS CB C 31.680 0.50 1 719 81 88 LYS CG C 24.360 0.50 1 720 81 88 LYS CD C 28.200 0.50 1 721 81 88 LYS CE C 42.000 0.50 1 722 81 88 LYS N N 123.304 0.25 1 723 82 89 TYR H H 7.615 0.03 1 724 82 89 TYR HA H 4.533 0.03 1 725 82 89 TYR HB2 H 3.197 0.03 2 726 82 89 TYR HB3 H 2.778 0.03 2 727 82 89 TYR CA C 61.750 0.50 1 728 82 89 TYR CB C 40.550 0.50 1 729 82 89 TYR N N 115.693 0.25 1 730 83 90 GLY H H 7.980 0.03 1 731 83 90 GLY HA2 H 4.240 0.03 2 732 83 90 GLY HA3 H 3.805 0.03 2 733 83 90 GLY CA C 45.510 0.50 1 734 83 90 GLY N N 108.209 0.25 1 735 84 91 ILE H H 7.730 0.03 1 736 84 91 ILE HA H 3.300 0.03 1 737 84 91 ILE HB H 1.425 0.03 1 738 84 91 ILE HG12 H 0.770 0.03 2 739 84 91 ILE HG13 H -0.540 0.03 2 740 84 91 ILE HG2 H 0.470 0.03 1 741 84 91 ILE HD1 H -0.085 0.03 1 742 84 91 ILE CA C 61.700 0.50 1 743 84 91 ILE CB C 37.350 0.50 1 744 84 91 ILE CG1 C 27.440 0.50 1 745 84 91 ILE CG2 C 17.900 0.50 1 746 84 91 ILE CD1 C 13.740 0.50 1 747 84 91 ILE N N 122.574 0.25 1 748 85 92 GLN H H 7.645 0.03 1 749 85 92 GLN HA H 3.765 0.03 1 750 85 92 GLN HB2 H 1.665 0.03 2 751 85 92 GLN HG2 H 1.995 0.03 2 752 85 92 GLN HE21 H 7.390 0.03 2 753 85 92 GLN HE22 H 6.610 0.03 2 754 85 92 GLN CA C 53.720 0.50 1 755 85 92 GLN CB C 30.890 0.50 1 756 85 92 GLN CG C 33.840 0.50 1 757 85 92 GLN N N 125.204 0.25 1 758 85 92 GLN NE2 N 112.282 0.25 1 759 86 93 ALA H H 6.791 0.03 1 760 86 93 ALA HA H 3.755 0.03 1 761 86 93 ALA HB H 1.045 0.03 1 762 86 93 ALA CA C 53.910 0.50 1 763 86 93 ALA CB C 18.670 0.50 1 764 86 93 ALA N N 118.001 0.25 1 765 87 94 ASP HA H 4.390 0.03 1 766 87 94 ASP HB2 H 2.765 0.03 2 767 87 94 ASP HB3 H 2.560 0.03 2 768 87 94 ASP CA C 54.060 0.50 1 769 87 94 ASP CB C 39.340 0.50 1 770 88 95 ALA H H 7.866 0.03 1 771 88 95 ALA HA H 4.261 0.03 1 772 88 95 ALA HB H 1.215 0.03 1 773 88 95 ALA CA C 52.770 0.50 1 774 88 95 ALA CB C 19.760 0.50 1 775 88 95 ALA N N 123.991 0.25 1 776 89 96 LYS H H 8.405 0.03 1 777 89 96 LYS HA H 4.814 0.03 1 778 89 96 LYS HB2 H 1.875 0.03 2 779 89 96 LYS HB3 H 1.755 0.03 2 780 89 96 LYS HG2 H 1.455 0.03 2 781 89 96 LYS HG3 H 1.365 0.03 2 782 89 96 LYS HD2 H 1.620 0.03 2 783 89 96 LYS HE2 H 2.910 0.03 2 784 89 96 LYS CA C 54.736 0.50 1 785 89 96 LYS CB C 32.390 0.50 1 786 89 96 LYS CG C 24.320 0.50 1 787 89 96 LYS CD C 28.780 0.50 1 788 89 96 LYS CE C 42.000 0.50 1 789 89 96 LYS N N 120.419 0.25 1 790 90 97 LEU H H 8.546 0.03 1 791 90 97 LEU HA H 5.075 0.03 1 792 90 97 LEU HB2 H 1.770 0.03 2 793 90 97 LEU HB3 H 1.270 0.03 2 794 90 97 LEU HG H 1.420 0.03 1 795 90 97 LEU HD1 H 0.490 0.03 2 796 90 97 LEU HD2 H 0.285 0.03 2 797 90 97 LEU CA C 53.060 0.50 1 798 90 97 LEU CB C 44.850 0.50 1 799 90 97 LEU CG C 26.880 0.50 1 800 90 97 LEU CD1 C 25.950 0.50 2 801 90 97 LEU CD2 C 22.260 0.50 2 802 90 97 LEU N N 122.515 0.25 1 803 91 98 GLN H H 9.050 0.03 1 804 91 98 GLN HA H 5.670 0.03 1 805 91 98 GLN HB2 H 2.280 0.03 2 806 91 98 GLN HB3 H 2.225 0.03 2 807 91 98 GLN HG2 H 2.695 0.03 2 808 91 98 GLN HG3 H 2.475 0.03 2 809 91 98 GLN HE21 H 7.560 0.03 2 810 91 98 GLN HE22 H 6.840 0.03 2 811 91 98 GLN CA C 54.050 0.50 1 812 91 98 GLN CB C 32.290 0.50 1 813 91 98 GLN CG C 34.140 0.50 1 814 91 98 GLN N N 119.536 0.25 1 815 91 98 GLN NE2 N 111.255 0.25 1 816 92 99 PHE H H 9.265 0.03 1 817 92 99 PHE HA H 5.670 0.03 1 818 92 99 PHE HB2 H 2.515 0.03 2 819 92 99 PHE HB3 H 3.135 0.03 2 820 92 99 PHE CA C 53.930 0.50 1 821 92 99 PHE CB C 41.080 0.50 1 822 92 99 PHE N N 125.450 0.25 1 823 93 100 THR H H 8.835 0.03 1 824 93 100 THR HA H 5.100 0.03 1 825 93 100 THR HB H 3.900 0.03 1 826 93 100 THR HG2 H 1.230 0.03 1 827 93 100 THR CA C 58.830 0.50 1 828 93 100 THR CB C 73.610 0.50 1 829 93 100 THR CG2 C 19.700 0.50 1 830 93 100 THR N N 124.322 0.25 1 831 94 101 PRO HA H 3.755 0.03 1 832 94 101 PRO HB2 H 1.743 0.03 2 833 94 101 PRO HG2 H 1.726 0.03 2 834 94 101 PRO HD2 H 3.530 0.03 2 835 94 101 PRO HD3 H 3.115 0.03 2 836 94 101 PRO CA C 63.570 0.50 1 837 94 101 PRO CB C 31.510 0.50 1 838 94 101 PRO CG C 27.120 0.50 1 839 94 101 PRO CD C 50.970 0.50 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N/13C-edited NOESY' '3D 15N/13C-filtered NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 535 2 ALA HA H 4.112 0.03 1 2 535 2 ALA HB H 1.265 0.03 1 3 535 2 ALA CA C 52.788 0.50 1 4 535 2 ALA CB C 18.966 0.50 1 5 536 3 MET H H 8.349 0.03 1 6 536 3 MET HA H 4.370 0.03 1 7 536 3 MET HB2 H 1.950 0.03 2 8 536 3 MET HB3 H 1.845 0.03 2 9 536 3 MET HG2 H 2.427 0.03 2 10 536 3 MET HG3 H 2.355 0.03 2 11 536 3 MET CA C 54.718 0.50 1 12 536 3 MET CB C 32.150 0.50 1 13 536 3 MET CG C 32.270 0.50 1 14 536 3 MET N N 118.129 0.25 1 15 537 4 ASP H H 8.056 0.03 1 16 537 4 ASP HA H 4.718 0.03 1 17 537 4 ASP HB2 H 2.634 0.03 2 18 537 4 ASP HB3 H 2.461 0.03 2 19 537 4 ASP CA C 52.519 0.50 1 20 537 4 ASP CB C 40.591 0.50 1 21 537 4 ASP N N 123.081 0.25 1 22 538 5 PRO HA H 4.227 0.03 1 23 538 5 PRO HB2 H 2.142 0.03 2 24 538 5 PRO HG2 H 1.898 0.03 2 25 538 5 PRO HG3 H 1.735 0.03 2 26 538 5 PRO HD2 H 3.755 0.03 2 27 538 5 PRO HD3 H 3.624 0.03 2 28 538 5 PRO CA C 63.553 0.50 1 29 538 5 PRO CB C 31.831 0.50 1 30 538 5 PRO CG C 27.156 0.50 1 31 538 5 PRO CD C 50.515 0.50 1 32 539 6 GLU H H 8.415 0.03 1 33 539 6 GLU HA H 3.991 0.03 1 34 539 6 GLU HB2 H 1.932 0.03 2 35 539 6 GLU HB3 H 1.746 0.03 2 36 539 6 GLU HG2 H 2.048 0.03 2 37 539 6 GLU HG3 H 1.943 0.03 2 38 539 6 GLU CA C 56.892 0.50 1 39 539 6 GLU CB C 29.582 0.50 1 40 539 6 GLU CG C 36.090 0.50 1 41 539 6 GLU N N 119.470 0.25 1 42 540 7 PHE H H 7.893 0.03 1 43 540 7 PHE HA H 4.443 0.03 1 44 540 7 PHE HB2 H 2.898 0.03 2 45 540 7 PHE HB3 H 2.848 0.03 2 46 540 7 PHE CA C 57.948 0.50 1 47 540 7 PHE CB C 39.638 0.50 1 48 540 7 PHE N N 119.350 0.25 1 49 541 8 TYR H H 7.933 0.03 1 50 541 8 TYR HA H 4.315 0.03 1 51 541 8 TYR HB2 H 2.846 0.03 2 52 541 8 TYR HB3 H 2.791 0.03 2 53 541 8 TYR CA C 57.948 0.50 1 54 541 8 TYR CB C 39.180 0.50 1 55 541 8 TYR N N 120.621 0.25 1 56 542 9 HIS H H 7.923 0.03 1 57 542 9 HIS HA H 4.352 0.03 1 58 542 9 HIS HB2 H 2.966 0.03 2 59 542 9 HIS HB3 H 2.881 0.03 2 60 542 9 HIS CA C 55.943 0.50 1 61 542 9 HIS CB C 30.321 0.50 1 62 542 9 HIS N N 121.178 0.25 1 63 543 10 GLU H H 8.199 0.03 1 64 543 10 GLU HA H 4.069 0.03 1 65 543 10 GLU HB2 H 1.830 0.03 2 66 543 10 GLU HG2 H 2.084 0.03 2 67 543 10 GLU CA C 56.491 0.50 1 68 543 10 GLU CB C 29.976 0.50 1 69 543 10 GLU CG C 36.080 0.50 1 70 543 10 GLU N N 122.371 0.25 1 71 544 11 ARG H H 8.343 0.03 1 72 544 11 ARG HA H 4.226 0.03 1 73 544 11 ARG HB2 H 1.751 0.03 2 74 544 11 ARG HB3 H 1.627 0.03 2 75 544 11 ARG HG2 H 1.473 0.03 2 76 544 11 ARG HD2 H 3.013 0.03 2 77 544 11 ARG CA C 56.029 0.50 1 78 544 11 ARG CB C 30.359 0.50 1 79 544 11 ARG CG C 26.913 0.50 1 80 544 11 ARG CD C 43.140 0.50 1 81 544 11 ARG N N 122.148 0.25 1 82 545 12 ARG H H 8.198 0.03 1 83 545 12 ARG HA H 4.221 0.03 1 84 545 12 ARG HB2 H 1.751 0.03 2 85 545 12 ARG HB3 H 1.627 0.03 2 86 545 12 ARG HG2 H 1.473 0.03 2 87 545 12 ARG HD2 H 3.013 0.03 2 88 545 12 ARG CA C 55.710 0.50 1 89 545 12 ARG CB C 30.352 0.50 1 90 545 12 ARG CG C 26.898 0.50 1 91 545 12 ARG CD C 43.134 0.50 1 92 545 12 ARG N N 121.422 0.25 1 93 546 13 GLY H H 8.289 0.03 1 94 546 13 GLY HA2 H 3.803 0.03 2 95 546 13 GLY CA C 45.092 0.50 1 96 546 13 GLY N N 109.499 0.25 1 97 547 14 SER H H 8.183 0.03 1 98 547 14 SER HA H 4.257 0.03 1 99 547 14 SER HB2 H 3.555 0.03 2 100 547 14 SER HB3 H 3.465 0.03 2 101 547 14 SER CA C 58.384 0.50 1 102 547 14 SER CB C 64.034 0.50 1 103 547 14 SER N N 115.871 0.25 1 104 548 15 LEU H H 8.194 0.03 1 105 548 15 LEU HA H 4.084 0.03 1 106 548 15 LEU HB2 H 1.385 0.03 2 107 548 15 LEU HB3 H 0.795 0.03 2 108 548 15 LEU HG H 1.370 0.03 1 109 548 15 LEU HD1 H 0.447 0.03 2 110 548 15 LEU HD2 H 0.632 0.03 2 111 548 15 LEU CA C 53.538 0.50 1 112 548 15 LEU CB C 43.122 0.50 1 113 548 15 LEU CG C 26.260 0.50 1 114 548 15 LEU CD1 C 22.427 0.50 2 115 548 15 LEU CD2 C 24.528 0.50 2 116 548 15 LEU N N 122.821 0.25 1 117 549 16 CYS H H 8.019 0.03 1 118 549 16 CYS HA H 4.278 0.03 1 119 549 16 CYS HB2 H 3.511 0.03 2 120 549 16 CYS HB3 H 2.195 0.03 2 121 549 16 CYS CA C 57.282 0.50 1 122 549 16 CYS CB C 31.458 0.50 1 123 549 16 CYS N N 122.780 0.25 1 124 550 17 SER H H 8.772 0.03 1 125 550 17 SER HA H 4.083 0.03 1 126 550 17 SER HB2 H 3.461 0.03 2 127 550 17 SER HB3 H 2.987 0.03 2 128 550 17 SER CA C 61.666 0.50 1 129 550 17 SER CB C 63.207 0.50 1 130 550 17 SER N N 125.520 0.25 1 131 551 18 GLY H H 9.083 0.03 1 132 551 18 GLY HA2 H 4.345 0.03 2 133 551 18 GLY HA3 H 3.844 0.03 2 134 551 18 GLY CA C 46.108 0.50 1 135 551 18 GLY N N 110.873 0.25 1 136 552 19 CYS H H 7.785 0.03 1 137 552 19 CYS HA H 4.753 0.03 1 138 552 19 CYS HB2 H 3.102 0.03 2 139 552 19 CYS HB3 H 2.198 0.03 2 140 552 19 CYS CA C 58.186 0.50 1 141 552 19 CYS CB C 31.506 0.50 1 142 552 19 CYS N N 118.706 0.25 1 143 553 20 GLN H H 8.269 0.03 1 144 553 20 GLN HA H 3.871 0.03 1 145 553 20 GLN HB2 H 2.255 0.03 2 146 553 20 GLN HG2 H 2.183 0.03 2 147 553 20 GLN HG3 H 2.103 0.03 2 148 553 20 GLN HE21 H 7.140 0.03 2 149 553 20 GLN HE22 H 6.520 0.03 2 150 553 20 GLN CA C 57.357 0.50 1 151 553 20 GLN CB C 25.073 0.50 1 152 553 20 GLN CG C 33.723 0.50 1 153 553 20 GLN N N 116.391 0.25 1 154 553 20 GLN NE2 N 112.111 0.25 1 155 554 21 LYS H H 8.099 0.03 1 156 554 21 LYS HA H 4.890 0.03 1 157 554 21 LYS HB2 H 2.140 0.03 2 158 554 21 LYS HB3 H 1.895 0.03 2 159 554 21 LYS HG2 H 1.530 0.03 2 160 554 21 LYS HG3 H 1.425 0.03 2 161 554 21 LYS HD2 H 1.691 0.03 2 162 554 21 LYS HD3 H 1.641 0.03 2 163 554 21 LYS CA C 53.475 0.50 1 164 554 21 LYS CB C 31.920 0.50 1 165 554 21 LYS CG C 24.490 0.50 1 166 554 21 LYS CD C 28.520 0.50 1 167 554 21 LYS N N 118.030 0.25 1 168 555 22 PRO HA H 4.310 0.03 1 169 555 22 PRO HB2 H 2.145 0.03 2 170 555 22 PRO HB3 H 1.629 0.03 2 171 555 22 PRO HG2 H 1.735 0.03 2 172 555 22 PRO HG3 H 1.960 0.03 2 173 555 22 PRO HD2 H 3.515 0.03 2 174 555 22 PRO HD3 H 3.690 0.03 2 175 555 22 PRO CA C 63.020 0.50 1 176 555 22 PRO CB C 32.370 0.50 1 177 555 22 PRO CG C 27.120 0.50 1 178 555 22 PRO CD C 50.500 0.50 1 179 556 23 ILE H H 8.204 0.03 1 180 556 23 ILE HA H 3.961 0.03 1 181 556 23 ILE HB H 1.290 0.03 1 182 556 23 ILE HG12 H 1.108 0.03 2 183 556 23 ILE HG13 H -0.455 0.03 2 184 556 23 ILE HG2 H 0.505 0.03 1 185 556 23 ILE HD1 H 0.175 0.03 1 186 556 23 ILE CA C 60.540 0.50 1 187 556 23 ILE CB C 38.300 0.50 1 188 556 23 ILE CG1 C 26.020 0.50 1 189 556 23 ILE CG2 C 17.870 0.50 1 190 556 23 ILE CD1 C 14.560 0.50 1 191 556 23 ILE N N 123.081 0.25 1 192 557 24 THR HA H 4.389 0.03 1 193 557 24 THR HB H 4.192 0.03 1 194 557 24 THR HG2 H 1.033 0.03 1 195 557 24 THR CA C 61.214 0.50 1 196 557 24 THR CB C 69.372 0.50 1 197 557 24 THR CG2 C 21.157 0.50 1 198 558 25 GLY H H 8.037 0.03 1 199 558 25 GLY HA2 H 3.917 0.03 2 200 558 25 GLY HA3 H 3.803 0.03 2 201 558 25 GLY CA C 44.514 0.50 1 202 558 25 GLY N N 113.552 0.25 1 203 559 26 ARG H H 8.377 0.03 1 204 559 26 ARG HA H 4.031 0.03 1 205 559 26 ARG HB2 H 1.628 0.03 2 206 559 26 ARG HG2 H 1.575 0.03 2 207 559 26 ARG HG3 H 1.450 0.03 2 208 559 26 ARG HD2 H 3.077 0.03 2 209 559 26 ARG CA C 57.178 0.50 1 210 559 26 ARG CB C 30.683 0.50 1 211 559 26 ARG CG C 27.405 0.50 1 212 559 26 ARG CD C 43.245 0.50 1 213 559 26 ARG N N 124.909 0.25 1 214 560 27 CYS H H 8.374 0.03 1 215 560 27 CYS HA H 4.883 0.03 1 216 560 27 CYS HB2 H 2.672 0.03 2 217 560 27 CYS HB3 H 2.589 0.03 2 218 560 27 CYS CA C 55.859 0.50 1 219 560 27 CYS CB C 30.724 0.50 1 220 560 27 CYS N N 118.331 0.25 1 221 561 28 ILE H H 8.734 0.03 1 222 561 28 ILE HA H 4.367 0.03 1 223 561 28 ILE HB H 1.427 0.03 1 224 561 28 ILE HG12 H 1.317 0.03 2 225 561 28 ILE HG13 H 0.986 0.03 2 226 561 28 ILE HG2 H 0.206 0.03 1 227 561 28 ILE HD1 H 0.710 0.03 1 228 561 28 ILE CA C 59.221 0.50 1 229 561 28 ILE CB C 39.812 0.50 1 230 561 28 ILE CG1 C 27.455 0.50 1 231 561 28 ILE CG2 C 16.305 0.50 1 232 561 28 ILE CD1 C 12.359 0.50 1 233 561 28 ILE N N 123.939 0.25 1 234 562 29 THR H H 8.323 0.03 1 235 562 29 THR HA H 5.030 0.03 1 236 562 29 THR HB H 3.859 0.03 1 237 562 29 THR HG2 H 0.912 0.03 1 238 562 29 THR CA C 60.119 0.50 1 239 562 29 THR CB C 69.223 0.50 1 240 562 29 THR CG2 C 20.718 0.50 1 241 562 29 THR N N 122.148 0.25 1 242 563 30 ALA H H 8.475 0.03 1 243 563 30 ALA HA H 4.318 0.03 1 244 563 30 ALA HB H 0.512 0.03 1 245 563 30 ALA CA C 51.623 0.50 1 246 563 30 ALA CB C 21.881 0.50 1 247 563 30 ALA N N 127.629 0.25 1 248 564 31 MET H H 9.210 0.03 1 249 564 31 MET HA H 3.926 0.03 1 250 564 31 MET HB2 H 2.247 0.03 2 251 564 31 MET HB3 H 2.167 0.03 2 252 564 31 MET HG2 H 2.492 0.03 2 253 564 31 MET HG3 H 2.230 0.03 2 254 564 31 MET CA C 56.593 0.50 1 255 564 31 MET CB C 30.445 0.50 1 256 564 31 MET CG C 32.047 0.50 1 257 564 31 MET N N 117.522 0.25 1 258 565 32 ALA H H 8.513 0.03 1 259 565 32 ALA HA H 3.713 0.03 1 260 565 32 ALA HB H 1.387 0.03 1 261 565 32 ALA CA C 53.182 0.50 1 262 565 32 ALA CB C 16.991 0.50 1 263 565 32 ALA N N 114.332 0.25 1 264 566 33 LYS H H 7.979 0.03 1 265 566 33 LYS HA H 4.309 0.03 1 266 566 33 LYS HB2 H 1.689 0.03 2 267 566 33 LYS HB3 H 1.414 0.03 2 268 566 33 LYS HG2 H 1.245 0.03 2 269 566 33 LYS HG3 H 1.405 0.03 2 270 566 33 LYS HD2 H 1.518 0.03 2 271 566 33 LYS HD3 H 1.388 0.03 2 272 566 33 LYS HE2 H 3.018 0.03 2 273 566 33 LYS CA C 54.994 0.50 1 274 566 33 LYS CB C 36.791 0.50 1 275 566 33 LYS CG C 25.002 0.50 1 276 566 33 LYS CD C 29.306 0.50 1 277 566 33 LYS CE C 43.290 0.50 1 278 566 33 LYS N N 121.368 0.25 1 279 567 34 LYS H H 7.908 0.03 1 280 567 34 LYS HA H 5.040 0.03 1 281 567 34 LYS HB2 H 1.287 0.03 2 282 567 34 LYS HB3 H 1.207 0.03 2 283 567 34 LYS HG2 H 1.150 0.03 2 284 567 34 LYS HD2 H 1.276 0.03 2 285 567 34 LYS HD3 H 1.401 0.03 2 286 567 34 LYS HE2 H 2.674 0.03 2 287 567 34 LYS CA C 54.391 0.50 1 288 567 34 LYS CB C 35.781 0.50 1 289 567 34 LYS CG C 25.298 0.50 1 290 567 34 LYS CD C 29.402 0.50 1 291 567 34 LYS CE C 42.173 0.50 1 292 567 34 LYS N N 117.782 0.25 1 293 568 35 PHE H H 8.686 0.03 1 294 568 35 PHE HA H 5.573 0.03 1 295 568 35 PHE HB2 H 3.146 0.03 2 296 568 35 PHE HB3 H 2.203 0.03 2 297 568 35 PHE CA C 56.245 0.50 1 298 568 35 PHE CB C 43.380 0.50 1 299 568 35 PHE N N 115.442 0.25 1 300 569 36 HIS H H 9.274 0.03 1 301 569 36 HIS HA H 4.598 0.03 1 302 569 36 HIS HB2 H 2.387 0.03 2 303 569 36 HIS HB3 H 3.205 0.03 2 304 569 36 HIS CA C 58.212 0.50 1 305 569 36 HIS CB C 29.093 0.50 1 306 569 36 HIS N N 123.180 0.25 1 307 570 37 PRO HA H 3.966 0.03 1 308 570 37 PRO HB2 H 2.298 0.03 2 309 570 37 PRO HB3 H 1.875 0.03 2 310 570 37 PRO HG2 H 2.080 0.03 2 311 570 37 PRO HG3 H 1.600 0.03 2 312 570 37 PRO HD2 H 4.030 0.03 2 313 570 37 PRO HD3 H 3.785 0.03 2 314 570 37 PRO CA C 66.475 0.50 1 315 570 37 PRO CB C 31.010 0.50 1 316 570 37 PRO CG C 28.186 0.50 1 317 570 37 PRO CD C 49.707 0.50 1 318 571 38 GLU H H 9.914 0.03 1 319 571 38 GLU HA H 4.014 0.03 1 320 571 38 GLU HB2 H 1.800 0.03 2 321 571 38 GLU HB3 H 1.687 0.03 2 322 571 38 GLU HG2 H 1.953 0.03 2 323 571 38 GLU HG3 H 1.465 0.03 2 324 571 38 GLU CA C 57.579 0.50 1 325 571 38 GLU CB C 27.565 0.50 1 326 571 38 GLU CG C 35.277 0.50 1 327 571 38 GLU N N 114.010 0.25 1 328 572 39 HIS H H 8.126 0.03 1 329 572 39 HIS HA H 4.973 0.03 1 330 572 39 HIS HB2 H 3.603 0.03 2 331 572 39 HIS HB3 H 3.203 0.03 2 332 572 39 HIS CA C 52.847 0.50 1 333 572 39 HIS CB C 32.386 0.50 1 334 572 39 HIS N N 116.321 0.25 1 335 573 40 PHE H H 7.398 0.03 1 336 573 40 PHE HA H 4.215 0.03 1 337 573 40 PHE HB2 H 2.947 0.03 2 338 573 40 PHE HB3 H 1.957 0.03 2 339 573 40 PHE CA C 55.684 0.50 1 340 573 40 PHE CB C 36.875 0.50 1 341 573 40 PHE N N 125.830 0.25 1 342 574 41 VAL H H 6.653 0.03 1 343 574 41 VAL HA H 4.623 0.03 1 344 574 41 VAL HB H 1.378 0.03 1 345 574 41 VAL HG1 H 0.411 0.03 2 346 574 41 VAL HG2 H 0.390 0.03 2 347 574 41 VAL CA C 56.501 0.50 1 348 574 41 VAL CB C 35.217 0.50 1 349 574 41 VAL CG1 C 21.149 0.50 2 350 574 41 VAL CG2 C 17.495 0.50 2 351 574 41 VAL N N 114.142 0.25 1 352 575 42 CYS H H 8.307 0.03 1 353 575 42 CYS HA H 3.732 0.03 1 354 575 42 CYS HB2 H 3.251 0.03 2 355 575 42 CYS HB3 H 2.648 0.03 2 356 575 42 CYS CA C 59.236 0.50 1 357 575 42 CYS CB C 30.925 0.50 1 358 575 42 CYS N N 122.511 0.25 1 359 576 43 ALA H H 8.801 0.03 1 360 576 43 ALA HA H 3.973 0.03 1 361 576 43 ALA HB H 1.103 0.03 1 362 576 43 ALA CA C 53.990 0.50 1 363 576 43 ALA CB C 18.225 0.50 1 364 576 43 ALA N N 130.518 0.25 1 365 577 44 PHE HA H 4.805 0.03 1 366 577 44 PHE HB2 H 4.050 0.03 2 367 577 44 PHE HB3 H 3.004 0.03 2 368 577 44 PHE CA C 60.428 0.50 1 369 577 44 PHE CB C 39.638 0.50 1 370 578 45 CYS HA H 4.588 0.03 1 371 578 45 CYS HB2 H 3.205 0.03 2 372 578 45 CYS HB3 H 2.725 0.03 2 373 578 45 CYS CA C 59.552 0.50 1 374 578 45 CYS CB C 32.145 0.50 1 375 579 46 LEU HA H 4.049 0.03 1 376 579 46 LEU HB2 H 1.981 0.03 2 377 579 46 LEU HB3 H 1.510 0.03 2 378 579 46 LEU HG H 1.176 0.03 1 379 579 46 LEU HD1 H 0.614 0.03 2 380 579 46 LEU HD2 H 0.699 0.03 2 381 579 46 LEU CA C 56.721 0.50 1 382 579 46 LEU CB C 38.143 0.50 1 383 579 46 LEU CG C 27.199 0.50 1 384 579 46 LEU CD1 C 22.351 0.50 2 385 579 46 LEU CD2 C 24.918 0.50 2 386 580 47 LYS HA H 4.151 0.03 1 387 580 47 LYS HB2 H 1.919 0.03 2 388 580 47 LYS HB3 H 1.599 0.03 2 389 580 47 LYS HG2 H 1.425 0.03 2 390 580 47 LYS HG3 H 1.395 0.03 2 391 580 47 LYS HD2 H 1.655 0.03 2 392 580 47 LYS HE2 H 2.987 0.03 2 393 580 47 LYS CA C 56.633 0.50 1 394 580 47 LYS CB C 33.279 0.50 1 395 580 47 LYS CG C 24.971 0.50 1 396 580 47 LYS CD C 29.271 0.50 1 397 580 47 LYS CE C 41.904 0.50 1 398 581 48 GLN H H 8.391 0.03 1 399 581 48 GLN HA H 3.927 0.03 1 400 581 48 GLN HB2 H 1.923 0.03 2 401 581 48 GLN HB3 H 1.878 0.03 2 402 581 48 GLN HG2 H 2.323 0.03 2 403 581 48 GLN HG3 H 2.283 0.03 2 404 581 48 GLN HE21 H 7.385 0.03 2 405 581 48 GLN HE22 H 6.980 0.03 2 406 581 48 GLN CA C 57.437 0.50 1 407 581 48 GLN CB C 28.558 0.50 1 408 581 48 GLN CG C 34.085 0.50 1 409 581 48 GLN N N 121.740 0.25 1 410 581 48 GLN NE2 N 112.198 0.25 1 411 582 49 LEU H H 8.103 0.03 1 412 582 49 LEU HA H 4.292 0.03 1 413 582 49 LEU HB2 H 0.665 0.03 2 414 582 49 LEU HB3 H 0.605 0.03 2 415 582 49 LEU HG H 1.106 0.03 1 416 582 49 LEU HD1 H 0.510 0.03 2 417 582 49 LEU HD2 H -0.470 0.03 2 418 582 49 LEU CA C 53.096 0.50 1 419 582 49 LEU CB C 43.606 0.50 1 420 582 49 LEU CG C 25.621 0.50 1 421 582 49 LEU CD1 C 22.186 0.50 2 422 582 49 LEU CD2 C 25.940 0.50 2 423 582 49 LEU N N 126.081 0.25 1 424 583 50 ASN H H 8.144 0.03 1 425 583 50 ASN HA H 4.838 0.03 1 426 583 50 ASN HB2 H 2.901 0.03 2 427 583 50 ASN HB3 H 2.783 0.03 2 428 583 50 ASN HD21 H 7.665 0.03 2 429 583 50 ASN HD22 H 6.950 0.03 2 430 583 50 ASN CA C 51.974 0.50 1 431 583 50 ASN CB C 40.846 0.50 1 432 583 50 ASN N N 116.779 0.25 1 433 583 50 ASN ND2 N 114.769 0.25 1 434 584 51 LYS H H 9.100 0.03 1 435 584 51 LYS HA H 4.155 0.03 1 436 584 51 LYS HB2 H 1.819 0.03 2 437 584 51 LYS HG2 H 1.434 0.03 2 438 584 51 LYS HD2 H 1.663 0.03 2 439 584 51 LYS HE2 H 3.000 0.03 2 440 584 51 LYS CA C 59.010 0.50 1 441 584 51 LYS CB C 31.941 0.50 1 442 584 51 LYS CG C 24.742 0.50 1 443 584 51 LYS CD C 29.183 0.50 1 444 584 51 LYS CE C 41.986 0.50 1 445 584 51 LYS N N 122.478 0.25 1 446 585 52 GLY H H 8.696 0.03 1 447 585 52 GLY HA2 H 4.123 0.03 2 448 585 52 GLY HA3 H 3.912 0.03 2 449 585 52 GLY CA C 45.325 0.50 1 450 585 52 GLY N N 106.330 0.25 1 451 586 53 THR H H 7.593 0.03 1 452 586 53 THR HA H 4.596 0.03 1 453 586 53 THR HB H 4.415 0.03 1 454 586 53 THR HG2 H 1.044 0.03 1 455 586 53 THR CA C 60.678 0.50 1 456 586 53 THR CB C 70.590 0.50 1 457 586 53 THR CG2 C 21.651 0.50 1 458 586 53 THR N N 107.766 0.25 1 459 587 54 PHE H H 7.421 0.03 1 460 587 54 PHE HA H 4.999 0.03 1 461 587 54 PHE HB2 H 2.932 0.03 2 462 587 54 PHE HB3 H 2.861 0.03 2 463 587 54 PHE CA C 56.023 0.50 1 464 587 54 PHE CB C 41.609 0.50 1 465 587 54 PHE N N 120.159 0.25 1 466 588 55 LYS H H 9.148 0.03 1 467 588 55 LYS HA H 4.112 0.03 1 468 588 55 LYS HB2 H 1.036 0.03 2 469 588 55 LYS HB3 H 0.758 0.03 2 470 588 55 LYS HG2 H 0.588 0.03 2 471 588 55 LYS HG3 H 0.828 0.03 2 472 588 55 LYS HD2 H 1.010 0.03 2 473 588 55 LYS HD3 H 0.885 0.03 2 474 588 55 LYS HE2 H 2.335 0.03 2 475 588 55 LYS HE3 H 2.220 0.03 2 476 588 55 LYS CA C 52.812 0.50 1 477 588 55 LYS CB C 34.908 0.50 1 478 588 55 LYS CG C 23.379 0.50 1 479 588 55 LYS CD C 27.100 0.50 1 480 588 55 LYS CE C 41.369 0.50 1 481 588 55 LYS N N 121.562 0.25 1 482 589 56 GLU H H 8.233 0.03 1 483 589 56 GLU HA H 5.297 0.03 1 484 589 56 GLU HB2 H 1.944 0.03 2 485 589 56 GLU HB3 H 1.874 0.03 2 486 589 56 GLU HG2 H 2.134 0.03 2 487 589 56 GLU HG3 H 2.044 0.03 2 488 589 56 GLU CA C 54.654 0.50 1 489 589 56 GLU CB C 32.097 0.50 1 490 589 56 GLU CG C 36.184 0.50 1 491 589 56 GLU N N 122.024 0.25 1 492 590 57 GLN H H 9.065 0.03 1 493 590 57 GLN HA H 4.253 0.03 1 494 590 57 GLN HB2 H 1.182 0.03 2 495 590 57 GLN HG2 H 1.518 0.03 2 496 590 57 GLN HG3 H 1.468 0.03 2 497 590 57 GLN HE21 H 6.865 0.03 2 498 590 57 GLN HE22 H 6.665 0.03 2 499 590 57 GLN CA C 56.352 0.50 1 500 590 57 GLN CB C 31.540 0.50 1 501 590 57 GLN CG C 31.260 0.50 1 502 590 57 GLN N N 123.762 0.25 1 503 590 57 GLN NE2 N 110.589 0.25 1 504 591 58 ASN H H 9.458 0.03 1 505 591 58 ASN HA H 4.240 0.03 1 506 591 58 ASN HB2 H 2.997 0.03 2 507 591 58 ASN HB3 H 2.753 0.03 2 508 591 58 ASN HD21 H 7.735 0.03 2 509 591 58 ASN HD22 H 6.905 0.03 2 510 591 58 ASN CA C 54.385 0.50 1 511 591 58 ASN CB C 36.934 0.50 1 512 591 58 ASN N N 126.688 0.25 1 513 591 58 ASN ND2 N 112.528 0.25 1 514 592 59 ASP H H 9.090 0.03 1 515 592 59 ASP HA H 4.161 0.03 1 516 592 59 ASP HB2 H 2.969 0.03 2 517 592 59 ASP HB3 H 2.683 0.03 2 518 592 59 ASP CA C 55.791 0.50 1 519 592 59 ASP CB C 40.202 0.50 1 520 592 59 ASP N N 111.158 0.25 1 521 593 60 LYS H H 7.790 0.03 1 522 593 60 LYS HA H 4.767 0.03 1 523 593 60 LYS HB2 H 1.868 0.03 2 524 593 60 LYS HB3 H 1.363 0.03 2 525 593 60 LYS HG2 H 1.665 0.03 2 526 593 60 LYS HG3 H 1.514 0.03 2 527 593 60 LYS HD2 H 1.670 0.03 2 528 593 60 LYS HE2 H 3.022 0.03 2 529 593 60 LYS CA C 53.047 0.50 1 530 593 60 LYS CB C 34.935 0.50 1 531 593 60 LYS CG C 24.980 0.50 1 532 593 60 LYS CD C 28.980 0.50 1 533 593 60 LYS CE C 42.390 0.50 1 534 593 60 LYS N N 118.710 0.25 1 535 594 61 PRO HA H 5.130 0.03 1 536 594 61 PRO HB2 H 1.616 0.03 2 537 594 61 PRO HB3 H 1.064 0.03 2 538 594 61 PRO HG2 H 2.131 0.03 2 539 594 61 PRO HG3 H 1.411 0.03 2 540 594 61 PRO HD2 H 3.611 0.03 2 541 594 61 PRO HD3 H 3.526 0.03 2 542 594 61 PRO CA C 60.908 0.50 1 543 594 61 PRO CB C 31.927 0.50 1 544 594 61 PRO CG C 25.151 0.50 1 545 594 61 PRO CD C 49.582 0.50 1 546 595 62 TYR H H 8.960 0.03 1 547 595 62 TYR HA H 5.711 0.03 1 548 595 62 TYR HB2 H 3.388 0.03 2 549 595 62 TYR HB3 H 2.671 0.03 2 550 595 62 TYR CA C 56.805 0.50 1 551 595 62 TYR CB C 43.914 0.50 1 552 595 62 TYR N N 115.838 0.25 1 553 596 63 CYS H H 9.683 0.03 1 554 596 63 CYS HA H 4.828 0.03 1 555 596 63 CYS HB2 H 3.397 0.03 2 556 596 63 CYS HB3 H 2.803 0.03 2 557 596 63 CYS CA C 57.383 0.50 1 558 596 63 CYS CB C 30.749 0.50 1 559 596 63 CYS N N 120.250 0.25 1 560 597 64 GLN H H 8.718 0.03 1 561 597 64 GLN HA H 3.864 0.03 1 562 597 64 GLN HB2 H 2.022 0.03 2 563 597 64 GLN HG2 H 2.327 0.03 2 564 597 64 GLN HE21 H 7.305 0.03 2 565 597 64 GLN HE22 H 6.805 0.03 2 566 597 64 GLN CA C 59.544 0.50 1 567 597 64 GLN CB C 28.152 0.50 1 568 597 64 GLN CG C 33.661 0.50 1 569 597 64 GLN N N 118.859 0.25 1 570 597 64 GLN NE2 N 110.981 0.25 1 571 598 65 ASN H H 8.134 0.03 1 572 598 65 ASN HA H 4.398 0.03 1 573 598 65 ASN HB2 H 2.995 0.03 2 574 598 65 ASN HB3 H 2.812 0.03 2 575 598 65 ASN HD21 H 7.815 0.03 2 576 598 65 ASN HD22 H 6.970 0.03 2 577 598 65 ASN CA C 56.839 0.50 1 578 598 65 ASN CB C 38.591 0.50 1 579 598 65 ASN N N 116.981 0.25 1 580 598 65 ASN ND2 N 113.671 0.25 1 581 599 66 CYS H H 9.241 0.03 1 582 599 66 CYS HA H 3.787 0.03 1 583 599 66 CYS HB2 H 3.198 0.03 2 584 599 66 CYS HB3 H 2.885 0.03 2 585 599 66 CYS CA C 65.037 0.50 1 586 599 66 CYS CB C 29.266 0.50 1 587 599 66 CYS N N 125.557 0.25 1 588 600 67 PHE H H 8.747 0.03 1 589 600 67 PHE HA H 3.825 0.03 1 590 600 67 PHE HB2 H 3.093 0.03 2 591 600 67 PHE HB3 H 2.950 0.03 2 592 600 67 PHE CA C 61.524 0.50 1 593 600 67 PHE CB C 39.655 0.50 1 594 600 67 PHE N N 119.391 0.25 1 595 601 68 LEU H H 7.853 0.03 1 596 601 68 LEU HA H 3.918 0.03 1 597 601 68 LEU HB2 H 1.811 0.03 2 598 601 68 LEU HB3 H 1.495 0.03 2 599 601 68 LEU HG H 1.860 0.03 1 600 601 68 LEU HD1 H 0.893 0.03 2 601 601 68 LEU HD2 H 0.883 0.03 2 602 601 68 LEU CA C 57.582 0.50 1 603 601 68 LEU CB C 42.135 0.50 1 604 601 68 LEU CG C 27.086 0.50 1 605 601 68 LEU CD1 C 23.475 0.50 2 606 601 68 LEU CD2 C 24.867 0.50 2 607 601 68 LEU N N 117.060 0.25 1 608 602 69 LYS H H 7.212 0.03 1 609 602 69 LYS HA H 3.812 0.03 1 610 602 69 LYS HB2 H 1.643 0.03 2 611 602 69 LYS HB3 H 1.522 0.03 2 612 602 69 LYS HG2 H 1.244 0.03 2 613 602 69 LYS HG3 H 1.150 0.03 2 614 602 69 LYS HD2 H 1.426 0.03 2 615 602 69 LYS HE2 H 2.794 0.03 2 616 602 69 LYS HE3 H 2.724 0.03 2 617 602 69 LYS CA C 58.141 0.50 1 618 602 69 LYS CB C 32.603 0.50 1 619 602 69 LYS CG C 24.442 0.50 1 620 602 69 LYS CD C 28.937 0.50 1 621 602 69 LYS CE C 41.827 0.50 1 622 602 69 LYS N N 117.274 0.25 1 623 603 70 LEU HA H 3.536 0.03 1 624 603 70 LEU HG H 0.888 0.03 1 625 603 70 LEU HD1 H 0.005 0.03 2 626 603 70 LEU HD2 H -0.219 0.03 2 627 603 70 LEU CA C 56.201 0.50 1 628 603 70 LEU CB C 41.470 0.50 1 629 603 70 LEU CG C 26.319 0.50 1 630 603 70 LEU CD1 C 21.371 0.50 2 631 603 70 LEU CD2 C 24.933 0.50 2 632 604 71 PHE HA H 4.654 0.03 1 633 604 71 PHE HB2 H 2.834 0.03 2 634 604 71 PHE CA C 56.691 0.50 1 635 604 71 PHE CB C 39.397 0.50 1 636 605 72 CYS HA H 4.350 0.03 1 637 605 72 CYS HB2 H 3.000 0.03 2 638 605 72 CYS HB3 H 2.885 0.03 2 639 605 72 CYS CA C 59.280 0.50 1 640 605 72 CYS CB C 29.450 0.50 1 stop_ save_