data_26517 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TAM DOMAIN OF TIP5_BAZ2A ; _BMRB_accession_number 26517 _BMRB_flat_file_name bmr26517.str _Entry_type original _Submission_date 2015-02-23 _Accession_date 2015-02-23 _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 Anosova I. . . 2 Melnik S. . . 3 Tripsianes Kostas . . 4 Kateb F. . . 5 Grummt I. . . 6 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 694 "13C chemical shifts" 392 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-28 original BMRB . stop_ _Original_release_date 2015-04-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A novel RNA binding surface of the TAM domain of TIP5/BAZ2A mediates epigenetic regulation of rRNA genes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Anosova I. . . 2 Melnik S. . . 3 Tripsianes Kostas . . 4 Kateb F. . . 5 Grummt I. . . 6 Sattler M. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TAM DOMAIN OF TIP5_BAZ2A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TAM DOMAIN OF TIP5_BAZ2A' $entity_1 stop_ _System_molecular_weight 13011.8499 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _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 13011.8499 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; RRRIATPEEVRLPLQHGWRR EVRIKKGSHRWQGETWYYGP CGKRMKQFPEVIKYLSRNVV HSVRREHFSFSPRMPVGDFF EERDTPEGLQWVQLSAEEIP SRIQAITGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 516 ARG 2 517 ARG 3 518 ARG 4 519 ILE 5 520 ALA 6 521 THR 7 522 PRO 8 523 GLU 9 524 GLU 10 525 VAL 11 526 ARG 12 527 LEU 13 528 PRO 14 529 LEU 15 530 GLN 16 531 HIS 17 532 GLY 18 533 TRP 19 534 ARG 20 535 ARG 21 536 GLU 22 537 VAL 23 538 ARG 24 539 ILE 25 540 LYS 26 541 LYS 27 542 GLY 28 543 SER 29 544 HIS 30 545 ARG 31 546 TRP 32 547 GLN 33 548 GLY 34 549 GLU 35 550 THR 36 551 TRP 37 552 TYR 38 553 TYR 39 554 GLY 40 555 PRO 41 556 CYS 42 557 GLY 43 558 LYS 44 559 ARG 45 560 MET 46 561 LYS 47 562 GLN 48 563 PHE 49 564 PRO 50 565 GLU 51 566 VAL 52 567 ILE 53 568 LYS 54 569 TYR 55 570 LEU 56 571 SER 57 572 ARG 58 573 ASN 59 574 VAL 60 575 VAL 61 576 HIS 62 577 SER 63 578 VAL 64 579 ARG 65 580 ARG 66 581 GLU 67 582 HIS 68 583 PHE 69 584 SER 70 585 PHE 71 586 SER 72 587 PRO 73 588 ARG 74 589 MET 75 590 PRO 76 591 VAL 77 592 GLY 78 593 ASP 79 594 PHE 80 595 PHE 81 596 GLU 82 597 GLU 83 598 ARG 84 599 ASP 85 600 THR 86 601 PRO 87 602 GLU 88 603 GLY 89 604 LEU 90 605 GLN 91 606 TRP 92 607 VAL 93 608 GLN 94 609 LEU 95 610 SER 96 611 ALA 97 612 GLU 98 613 GLU 99 614 ILE 100 615 PRO 101 616 SER 102 617 ARG 103 618 ILE 104 619 GLN 105 620 ALA 106 621 ILE 107 622 THR 108 623 GLY 109 624 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 5AGQ "Solution Structure Of The Tam Domain Of Human Tip5 Baz2a Involved In Epigenetic Regulation Of Rrna Genes" 100.00 113 100.00 100.00 1.05e-72 DBJ BAA20773 "KIAA0314 protein [Homo sapiens]" 99.08 1899 100.00 100.00 2.77e-67 DBJ BAA89211 "bromodomain adjacent to zinc finger domain 2A [Homo sapiens]" 99.08 1878 99.07 100.00 6.66e-67 DBJ BAC31656 "unnamed protein product [Mus musculus]" 83.49 181 100.00 100.00 3.14e-60 DBJ BAE21532 "unnamed protein product [Mus musculus]" 99.08 764 99.07 100.00 4.59e-70 DBJ BAE33307 "unnamed protein product [Mus musculus]" 99.08 704 99.07 100.00 4.37e-68 EMBL CAC69992 "TTF-I interacting protein 5 [Mus musculus]" 99.08 1850 99.07 100.00 8.08e-67 EMBL CAH18232 "hypothetical protein [Homo sapiens]" 99.08 1905 100.00 100.00 2.86e-67 GB AAB60864 "TTF-I interacting peptide 5 [Homo sapiens]" 99.08 407 100.00 100.00 7.36e-74 GB AAH20083 "Baz2a protein, partial [Mus musculus]" 99.08 706 99.07 100.00 5.35e-68 GB AAH38012 "Baz2a protein, partial [Mus musculus]" 99.08 769 98.15 100.00 1.35e-66 GB AAH48415 "Baz2a protein, partial [Mus musculus]" 99.08 709 99.07 100.00 5.81e-68 GB AAI48496 "Bromodomain adjacent to zinc finger domain, 2A, partial [synthetic construct]" 99.08 1887 99.07 100.00 5.86e-67 REF NP_001100628 "bromodomain adjacent to zinc finger domain protein 2A [Rattus norvegicus]" 99.08 1691 98.15 99.07 2.06e-66 REF NP_001180159 "bromodomain adjacent to zinc finger domain protein 2A [Bos taurus]" 99.08 1898 99.07 100.00 6.38e-67 REF NP_001287834 "bromodomain adjacent to zinc finger domain protein 2A isoform 2 [Homo sapiens]" 99.08 1903 100.00 100.00 2.65e-67 REF NP_038477 "bromodomain adjacent to zinc finger domain protein 2A isoform 1 [Homo sapiens]" 99.08 1905 100.00 100.00 2.76e-67 REF NP_473419 "bromodomain adjacent to zinc finger domain protein 2A [Mus musculus]" 99.08 1887 99.07 100.00 5.86e-67 SP Q91YE5 "RecName: Full=Bromodomain adjacent to zinc finger domain protein 2A; AltName: Full=Transcription termination factor I-interacti" 99.08 1889 99.07 100.00 5.86e-67 SP Q9UIF9 "RecName: Full=Bromodomain adjacent to zinc finger domain protein 2A; AltName: Full=Transcription termination factor I-interacti" 99.08 1905 100.00 100.00 2.76e-67 TPG DAA29585 "TPA: bromodomain adjacent to zinc finger domain, 2A [Bos taurus]" 99.08 2013 99.07 100.00 1.63e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'recombinant technology' 'ESCHERICHIA COLI' ESCHERICHIA COLI BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Saveframe_category sample _Sample_type solution _Details 'TAM 0.6 mmol/l' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' NACL 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version any loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BRUKER_AVANCE-900 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_new_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_new_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_new_1 save_ save_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_new_1 save_ save_CC(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label $sample_new_1 save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_new_1 save_ save_15N-EDITED_3D_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-EDITED 3D NOESY' _Sample_label $sample_new_1 save_ save_13C-EDITED_3D_NOESY_(ALIPHATICS)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-EDITED 3D NOESY (ALIPHATICS)' _Sample_label $sample_new_1 save_ save_13C-EDITED_3D_NOESY_(AROMATICS)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-EDITED 3D NOESY (AROMATICS)' _Sample_label $sample_new_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_new_1 _Saveframe_category sample_conditions _Details 'pH [7.0], temp [293.0], pressure [1.0], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 7.000 . pH pressure 1.000 . atm temperature 293.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details 'Origin xeasy file /home/kostas/anosova/DEPOSITION/TAM.prot' loop_ _Experiment_label 15N-HSQC stop_ loop_ _Sample_label $sample_new_1 stop_ _Sample_conditions_label $sample_conditions_new_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TAM DOMAIN OF TIP5_BAZ2A' _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 1 516 1 ARG H H 8.394 0.020 1 2 516 1 ARG HA H 4.384 0.020 1 3 516 1 ARG HD2 H 3.140 0.020 1 4 516 1 ARG HD3 H 3.140 0.020 1 5 516 1 ARG CA C 55.638 0.200 1 6 516 1 ARG CD C 43.302 0.200 1 7 516 1 ARG N N 122.789 0.015 1 8 517 2 ARG H H 8.374 0.016 1 9 517 2 ARG HA H 4.274 0.014 1 10 517 2 ARG HB2 H 1.776 0.001 2 11 517 2 ARG HB3 H 1.720 0.002 2 12 517 2 ARG HG2 H 1.591 0.020 1 13 517 2 ARG HG3 H 1.591 0.020 1 14 517 2 ARG HD2 H 3.136 0.020 1 15 517 2 ARG HD3 H 3.136 0.020 1 16 517 2 ARG CA C 56.001 0.002 1 17 517 2 ARG CB C 30.890 0.086 1 18 517 2 ARG N N 122.915 0.045 1 19 518 3 ARG H H 8.397 0.001 1 20 518 3 ARG HA H 4.325 0.004 1 21 518 3 ARG HB2 H 1.740 0.020 1 22 518 3 ARG HB3 H 1.740 0.020 1 23 518 3 ARG HG2 H 1.546 0.020 1 24 518 3 ARG HG3 H 1.546 0.020 1 25 518 3 ARG HD2 H 3.132 0.020 1 26 518 3 ARG HD3 H 3.132 0.020 1 27 518 3 ARG CA C 55.921 0.076 1 28 518 3 ARG CG C 27.062 0.200 1 29 518 3 ARG N N 123.498 0.019 1 30 519 4 ILE H H 8.318 0.008 1 31 519 4 ILE HA H 4.191 0.002 1 32 519 4 ILE HB H 1.811 0.007 1 33 519 4 ILE HG12 H 1.441 0.016 2 34 519 4 ILE HG13 H 1.149 0.009 2 35 519 4 ILE HG2 H 0.895 0.026 1 36 519 4 ILE HD1 H 0.831 0.026 1 37 519 4 ILE CA C 60.493 0.030 1 38 519 4 ILE CB C 38.912 0.026 1 39 519 4 ILE CG1 C 26.968 0.046 1 40 519 4 ILE CG2 C 17.476 0.026 1 41 519 4 ILE CD1 C 12.841 0.081 1 42 519 4 ILE N N 124.445 0.017 1 43 520 5 ALA H H 8.331 0.016 1 44 520 5 ALA HA H 4.519 0.020 1 45 520 5 ALA HB H 1.295 0.020 1 46 520 5 ALA CA C 52.255 0.048 1 47 520 5 ALA CB C 19.378 0.004 1 48 520 5 ALA N N 129.636 0.020 1 49 521 6 THR H H 8.608 0.020 1 50 521 6 THR HA H 4.660 0.002 1 51 521 6 THR HB H 4.652 0.006 1 52 521 6 THR HG2 H 1.284 0.006 1 53 521 6 THR CA C 59.343 0.020 1 54 521 6 THR CB C 68.758 0.032 1 55 521 6 THR CG2 C 22.074 0.008 1 56 521 6 THR N N 113.474 0.022 1 57 522 7 PRO HA H 4.238 0.023 1 58 522 7 PRO HB2 H 2.068 0.008 2 59 522 7 PRO HB3 H 1.832 0.001 2 60 522 7 PRO HG2 H 2.161 0.020 2 61 522 7 PRO HG3 H 1.884 0.020 2 62 522 7 PRO HD2 H 3.863 0.004 1 63 522 7 PRO HD3 H 3.863 0.004 1 64 522 7 PRO CA C 65.805 0.053 1 65 522 7 PRO CB C 31.425 0.179 1 66 522 7 PRO CG C 28.199 0.175 1 67 522 7 PRO CD C 50.182 0.127 1 68 523 8 GLU H H 8.290 0.005 1 69 523 8 GLU HA H 3.790 0.006 1 70 523 8 GLU HB2 H 1.984 0.008 2 71 523 8 GLU HB3 H 1.840 0.015 2 72 523 8 GLU HG2 H 2.343 0.004 2 73 523 8 GLU HG3 H 2.187 0.008 2 74 523 8 GLU CA C 60.245 0.029 1 75 523 8 GLU CB C 28.982 0.072 1 76 523 8 GLU CG C 36.891 0.053 1 77 523 8 GLU N N 114.630 0.017 1 78 524 9 GLU H H 7.643 0.009 1 79 524 9 GLU HA H 3.906 0.003 1 80 524 9 GLU HB2 H 2.465 0.020 2 81 524 9 GLU HB3 H 1.851 0.006 2 82 524 9 GLU HG2 H 2.304 0.011 2 83 524 9 GLU HG3 H 2.160 0.020 2 84 524 9 GLU CA C 59.282 0.053 1 85 524 9 GLU CB C 30.160 0.068 1 86 524 9 GLU CG C 37.605 0.068 1 87 524 9 GLU N N 119.787 0.057 1 88 525 10 VAL H H 7.874 0.005 1 89 525 10 VAL HA H 3.965 0.011 1 90 525 10 VAL HB H 1.966 0.019 1 91 525 10 VAL HG1 H 0.819 0.001 2 92 525 10 VAL HG2 H 0.804 0.019 2 93 525 10 VAL CA C 63.086 0.015 1 94 525 10 VAL CB C 31.735 0.089 1 95 525 10 VAL CG1 C 21.479 0.010 2 96 525 10 VAL CG2 C 24.843 0.029 2 97 525 10 VAL N N 117.359 0.190 1 98 526 11 ARG H H 7.869 0.006 1 99 526 11 ARG HA H 3.950 0.001 1 100 526 11 ARG HB2 H 1.804 0.001 1 101 526 11 ARG HB3 H 1.804 0.001 1 102 526 11 ARG HG2 H 1.794 0.020 2 103 526 11 ARG HG3 H 1.608 0.005 2 104 526 11 ARG HD2 H 3.160 0.003 2 105 526 11 ARG HD3 H 3.050 0.020 2 106 526 11 ARG CA C 58.174 0.007 1 107 526 11 ARG CB C 31.030 0.200 1 108 526 11 ARG CG C 29.695 0.107 1 109 526 11 ARG CD C 43.660 0.200 1 110 526 11 ARG N N 117.426 0.052 1 111 527 12 LEU H H 7.412 0.019 1 112 527 12 LEU HA H 4.158 0.010 1 113 527 12 LEU HB2 H 1.651 0.001 2 114 527 12 LEU HB3 H 1.485 0.008 2 115 527 12 LEU HG H 1.519 0.005 1 116 527 12 LEU HD1 H 0.672 0.005 2 117 527 12 LEU HD2 H 0.442 0.008 2 118 527 12 LEU CA C 60.315 0.147 1 119 527 12 LEU CB C 38.887 0.028 1 120 527 12 LEU CG C 26.936 0.054 1 121 527 12 LEU CD1 C 24.518 0.008 2 122 527 12 LEU CD2 C 23.666 0.013 2 123 527 12 LEU N N 121.740 0.043 1 124 528 13 PRO HA H 3.918 0.009 1 125 528 13 PRO HB2 H 1.275 0.009 2 126 528 13 PRO HB3 H 1.026 0.011 2 127 528 13 PRO HG2 H 0.825 0.009 1 128 528 13 PRO HG3 H 0.825 0.009 1 129 528 13 PRO HD2 H 3.691 0.026 2 130 528 13 PRO HD3 H 3.336 0.009 2 131 528 13 PRO CA C 66.502 0.053 1 132 528 13 PRO CB C 29.699 0.060 1 133 528 13 PRO CG C 28.989 0.050 1 134 528 13 PRO CD C 50.082 0.064 1 135 529 14 LEU H H 7.073 0.014 1 136 529 14 LEU HA H 4.760 0.017 1 137 529 14 LEU HB2 H 1.928 0.005 2 138 529 14 LEU HB3 H 1.837 0.009 2 139 529 14 LEU HG H 1.909 0.020 1 140 529 14 LEU HD1 H 0.873 0.004 1 141 529 14 LEU HD2 H 0.873 0.004 1 142 529 14 LEU CA C 57.114 0.056 1 143 529 14 LEU CB C 39.716 0.054 1 144 529 14 LEU CG C 29.435 0.063 1 145 529 14 LEU CD1 C 24.956 0.078 1 146 529 14 LEU CD2 C 24.956 0.078 1 147 529 14 LEU N N 116.649 0.017 1 148 530 15 GLN H H 7.872 0.006 1 149 530 15 GLN HA H 4.317 0.002 1 150 530 15 GLN HB2 H 2.018 0.013 1 151 530 15 GLN HB3 H 2.018 0.013 1 152 530 15 GLN HG2 H 2.342 0.020 2 153 530 15 GLN HG3 H 2.283 0.020 2 154 530 15 GLN HE21 H 6.825 0.020 1 155 530 15 GLN HE22 H 7.253 0.005 1 156 530 15 GLN CA C 56.206 0.012 1 157 530 15 GLN CB C 28.366 0.161 1 158 530 15 GLN CG C 33.843 0.073 1 159 530 15 GLN N N 117.475 0.059 1 160 530 15 GLN NE2 N 111.800 0.032 1 161 531 16 HIS H H 7.703 0.001 1 162 531 16 HIS HA H 4.825 0.004 1 163 531 16 HIS HB2 H 3.788 0.020 2 164 531 16 HIS HB3 H 2.767 0.020 2 165 531 16 HIS HD2 H 6.990 0.007 1 166 531 16 HIS HE1 H 7.786 0.009 1 167 531 16 HIS CB C 31.414 0.065 1 168 531 16 HIS CD2 C 121.001 0.081 1 169 531 16 HIS CE1 C 138.538 0.010 1 170 531 16 HIS N N 118.050 0.081 1 171 532 17 GLY H H 8.050 0.009 1 172 532 17 GLY HA2 H 4.323 0.020 2 173 532 17 GLY HA3 H 3.769 0.001 2 174 532 17 GLY CA C 46.131 0.093 1 175 532 17 GLY N N 107.005 0.008 1 176 533 18 TRP H H 7.906 0.018 1 177 533 18 TRP HA H 4.768 0.011 1 178 533 18 TRP HB2 H 3.393 0.020 2 179 533 18 TRP HB3 H 2.673 0.020 2 180 533 18 TRP HD1 H 7.411 0.020 1 181 533 18 TRP HE1 H 11.012 0.006 1 182 533 18 TRP HE3 H 7.591 0.020 1 183 533 18 TRP HZ2 H 7.383 0.003 1 184 533 18 TRP HZ3 H 6.616 0.008 1 185 533 18 TRP HH2 H 6.555 0.002 1 186 533 18 TRP CA C 57.883 0.258 1 187 533 18 TRP CB C 29.146 0.062 1 188 533 18 TRP CD1 C 127.442 0.055 1 189 533 18 TRP CE3 C 120.692 0.200 1 190 533 18 TRP CZ2 C 114.433 0.126 1 191 533 18 TRP CZ3 C 121.338 0.130 1 192 533 18 TRP CH2 C 124.465 0.200 1 193 533 18 TRP N N 119.284 0.073 1 194 533 18 TRP NE1 N 131.394 0.003 1 195 534 19 ARG H H 9.077 0.022 1 196 534 19 ARG HB2 H 1.885 0.020 2 197 534 19 ARG HB3 H 1.589 0.020 2 198 534 19 ARG HG2 H 1.596 0.002 1 199 534 19 ARG HG3 H 1.596 0.002 1 200 534 19 ARG HD2 H 3.013 0.020 1 201 534 19 ARG HD3 H 3.013 0.020 1 202 534 19 ARG CB C 34.723 0.042 1 203 534 19 ARG CG C 28.199 0.200 1 204 534 19 ARG CD C 43.278 0.200 1 205 534 19 ARG N N 117.276 0.013 1 206 535 20 ARG H H 8.911 0.018 1 207 535 20 ARG HA H 4.655 0.036 1 208 535 20 ARG HB2 H 1.411 0.015 2 209 535 20 ARG HB3 H 1.065 0.013 2 210 535 20 ARG HG2 H 1.048 0.018 2 211 535 20 ARG HG3 H 0.009 0.010 2 212 535 20 ARG HD2 H 2.868 0.020 2 213 535 20 ARG HD3 H 2.482 0.006 2 214 535 20 ARG CA C 54.857 0.006 1 215 535 20 ARG CB C 35.705 0.122 1 216 535 20 ARG CG C 28.508 0.162 1 217 535 20 ARG CD C 43.266 0.097 1 218 535 20 ARG N N 123.592 0.136 1 219 536 21 GLU H H 9.177 0.014 1 220 536 21 GLU HA H 5.636 0.008 1 221 536 21 GLU HB2 H 1.884 0.020 2 222 536 21 GLU HB3 H 1.726 0.001 2 223 536 21 GLU HG2 H 2.298 0.014 1 224 536 21 GLU HG3 H 2.298 0.014 1 225 536 21 GLU CA C 53.371 0.030 1 226 536 21 GLU CB C 34.443 0.087 1 227 536 21 GLU CG C 37.322 0.006 1 228 536 21 GLU N N 125.118 0.014 1 229 537 22 VAL H H 8.662 0.003 1 230 537 22 VAL HA H 4.347 0.005 1 231 537 22 VAL HB H -0.136 0.009 1 232 537 22 VAL HG1 H 0.509 0.005 2 233 537 22 VAL HG2 H 0.312 0.020 2 234 537 22 VAL CA C 61.076 0.151 1 235 537 22 VAL CB C 32.561 0.037 1 236 537 22 VAL CG1 C 21.365 0.074 2 237 537 22 VAL CG2 C 21.303 0.013 2 238 537 22 VAL N N 123.129 0.052 1 239 538 23 ARG H H 8.533 0.020 1 240 538 23 ARG HA H 4.705 0.020 1 241 538 23 ARG HB2 H 1.075 0.026 2 242 538 23 ARG HB3 H 0.924 0.003 2 243 538 23 ARG HG2 H 0.181 0.020 1 244 538 23 ARG HG3 H 0.181 0.020 1 245 538 23 ARG HD2 H 1.082 0.020 2 246 538 23 ARG HD3 H 0.972 0.020 2 247 538 23 ARG CB C 30.993 0.114 1 248 538 23 ARG CG C 26.404 0.121 1 249 538 23 ARG CD C 41.572 0.005 1 250 538 23 ARG N N 126.569 0.078 1 251 539 24 ILE H H 9.462 0.019 1 252 539 24 ILE HA H 5.234 0.004 1 253 539 24 ILE HB H 2.052 0.012 1 254 539 24 ILE HG12 H 1.652 0.013 2 255 539 24 ILE HG13 H 1.148 0.006 2 256 539 24 ILE HG2 H 1.049 0.003 1 257 539 24 ILE HD1 H 0.827 0.011 1 258 539 24 ILE CA C 60.416 0.149 1 259 539 24 ILE CB C 40.384 0.122 1 260 539 24 ILE CG1 C 27.815 0.118 1 261 539 24 ILE CG2 C 18.019 0.042 1 262 539 24 ILE CD1 C 13.528 0.061 1 263 539 24 ILE N N 126.637 0.077 1 264 540 25 LYS H H 9.105 0.013 1 265 540 25 LYS HA H 4.883 0.009 1 266 540 25 LYS HB2 H 1.796 0.020 1 267 540 25 LYS HB3 H 1.796 0.020 1 268 540 25 LYS HG2 H 1.528 0.001 2 269 540 25 LYS HG3 H 1.219 0.022 2 270 540 25 LYS HD2 H 1.659 0.003 1 271 540 25 LYS HD3 H 1.659 0.003 1 272 540 25 LYS HE2 H 2.936 0.013 1 273 540 25 LYS HE3 H 2.936 0.013 1 274 540 25 LYS CA C 54.872 0.200 1 275 540 25 LYS CB C 36.335 0.029 1 276 540 25 LYS CG C 23.648 0.056 1 277 540 25 LYS CD C 29.566 0.090 1 278 540 25 LYS CE C 42.008 0.012 1 279 540 25 LYS N N 123.341 0.061 1 280 541 26 LYS H H 8.788 0.011 1 281 541 26 LYS HA H 3.655 0.011 1 282 541 26 LYS HB2 H 1.225 0.009 2 283 541 26 LYS HB3 H 0.366 0.009 2 284 541 26 LYS HG2 H 0.596 0.010 2 285 541 26 LYS HG3 H 0.261 0.009 2 286 541 26 LYS HD2 H 1.046 0.012 2 287 541 26 LYS HD3 H 0.924 0.014 2 288 541 26 LYS HE2 H 2.491 0.001 1 289 541 26 LYS HE3 H 2.491 0.001 1 290 541 26 LYS CA C 56.468 0.055 1 291 541 26 LYS CB C 31.876 0.088 1 292 541 26 LYS CG C 24.058 0.108 1 293 541 26 LYS CD C 28.568 0.074 1 294 541 26 LYS CE C 41.703 0.045 1 295 541 26 LYS N N 125.260 0.075 1 296 542 27 GLY H H 7.963 0.005 1 297 542 27 GLY HA2 H 4.257 0.020 2 298 542 27 GLY HA3 H 3.768 0.004 2 299 542 27 GLY CA C 44.257 0.082 1 300 542 27 GLY N N 114.388 0.025 1 301 543 28 SER H H 8.695 0.004 1 302 543 28 SER HA H 3.959 0.020 1 303 543 28 SER HB2 H 3.704 0.020 1 304 543 28 SER HB3 H 3.704 0.020 1 305 543 28 SER CA C 60.377 0.049 1 306 543 28 SER CB C 62.486 0.014 1 307 544 29 HIS HA H 4.528 0.002 1 308 544 29 HIS HB2 H 3.149 0.020 2 309 544 29 HIS HB3 H 2.965 0.020 2 310 544 29 HIS HD2 H 6.994 0.020 1 311 544 29 HIS HE1 H 7.815 0.020 1 312 544 29 HIS CA C 57.132 0.039 1 313 544 29 HIS CB C 31.497 0.086 1 314 544 29 HIS CD2 C 119.577 0.044 1 315 544 29 HIS CE1 C 138.278 0.200 1 316 545 30 ARG HA H 4.616 0.003 1 317 545 30 ARG HB2 H 2.029 0.005 2 318 545 30 ARG HB3 H 1.863 0.009 2 319 545 30 ARG HG2 H 1.550 0.020 2 320 545 30 ARG HG3 H 1.449 0.020 2 321 545 30 ARG HD2 H 3.202 0.008 1 322 545 30 ARG HD3 H 3.202 0.008 1 323 545 30 ARG CA C 54.964 0.188 1 324 545 30 ARG CB C 32.353 0.067 1 325 545 30 ARG CG C 26.244 0.192 1 326 546 31 TRP H H 8.721 0.018 1 327 546 31 TRP HA H 4.832 0.002 1 328 546 31 TRP HB2 H 2.996 0.020 1 329 546 31 TRP HB3 H 2.996 0.020 1 330 546 31 TRP HD1 H 7.314 0.001 1 331 546 31 TRP HE1 H 10.275 0.020 1 332 546 31 TRP HE3 H 7.341 0.006 1 333 546 31 TRP HZ2 H 7.421 0.007 1 334 546 31 TRP HZ3 H 7.074 0.002 1 335 546 31 TRP HH2 H 7.221 0.006 1 336 546 31 TRP CB C 30.137 0.134 1 337 546 31 TRP CD1 C 126.979 0.058 1 338 546 31 TRP CE3 C 120.003 0.145 1 339 546 31 TRP CZ2 C 114.659 0.077 1 340 546 31 TRP CZ3 C 122.240 0.018 1 341 546 31 TRP CH2 C 125.038 0.038 1 342 546 31 TRP N N 122.259 0.098 1 343 546 31 TRP NE1 N 129.698 0.036 1 344 547 32 GLN H H 9.238 0.018 1 345 547 32 GLN HA H 4.925 0.005 1 346 547 32 GLN HB2 H 2.219 0.020 2 347 547 32 GLN HB3 H 2.060 0.020 2 348 547 32 GLN HG2 H 2.371 0.002 2 349 547 32 GLN HG3 H 2.321 0.006 2 350 547 32 GLN HE21 H 6.982 0.011 1 351 547 32 GLN HE22 H 7.575 0.020 1 352 547 32 GLN CA C 54.486 0.072 1 353 547 32 GLN CB C 33.041 0.036 1 354 547 32 GLN CG C 33.868 0.129 1 355 547 32 GLN N N 120.089 0.115 1 356 547 32 GLN NE2 N 112.190 0.054 1 357 548 33 GLY H H 9.011 0.012 1 358 548 33 GLY HA2 H 5.562 0.020 2 359 548 33 GLY HA3 H 3.239 0.020 2 360 548 33 GLY CA C 44.666 0.026 1 361 548 33 GLY N N 107.357 0.044 1 362 549 34 GLU H H 8.431 0.003 1 363 549 34 GLU HA H 4.836 0.006 1 364 549 34 GLU HB2 H 2.061 0.020 1 365 549 34 GLU HB3 H 2.061 0.020 1 366 549 34 GLU HG2 H 2.256 0.003 2 367 549 34 GLU HG3 H 2.190 0.020 2 368 549 34 GLU CB C 33.927 0.041 1 369 549 34 GLU CG C 36.251 0.177 1 370 549 34 GLU N N 119.441 0.052 1 371 550 35 THR H H 9.020 0.026 1 372 550 35 THR HA H 5.003 0.004 1 373 550 35 THR HB H 3.954 0.020 1 374 550 35 THR HG2 H 0.684 0.009 1 375 550 35 THR CA C 61.853 0.111 1 376 550 35 THR CB C 69.711 0.075 1 377 550 35 THR CG2 C 22.114 0.018 1 378 550 35 THR N N 122.211 0.023 1 379 551 36 TRP H H 9.576 0.007 1 380 551 36 TRP HA H 5.480 0.002 1 381 551 36 TRP HB2 H 2.987 0.002 2 382 551 36 TRP HB3 H 2.622 0.003 2 383 551 36 TRP HD1 H 7.321 0.011 1 384 551 36 TRP HE1 H 10.875 0.020 1 385 551 36 TRP HE3 H 7.368 0.009 1 386 551 36 TRP HZ2 H 7.300 0.001 1 387 551 36 TRP HZ3 H 6.768 0.017 1 388 551 36 TRP HH2 H 6.890 0.008 1 389 551 36 TRP CA C 52.914 0.033 1 390 551 36 TRP CB C 32.996 0.086 1 391 551 36 TRP CD1 C 123.880 0.035 1 392 551 36 TRP CE3 C 120.359 0.200 1 393 551 36 TRP CZ2 C 113.962 0.005 1 394 551 36 TRP CZ3 C 121.300 0.070 1 395 551 36 TRP CH2 C 124.648 0.200 1 396 551 36 TRP N N 125.498 0.084 1 397 551 36 TRP NE1 N 129.227 0.062 1 398 552 37 TYR H H 8.839 0.022 1 399 552 37 TYR HA H 5.576 0.014 1 400 552 37 TYR HB2 H 3.198 0.008 2 401 552 37 TYR HB3 H 2.718 0.020 2 402 552 37 TYR HD1 H 6.761 0.008 1 403 552 37 TYR HD2 H 6.761 0.008 1 404 552 37 TYR HE1 H 5.811 0.001 1 405 552 37 TYR HE2 H 5.811 0.001 1 406 552 37 TYR CA C 57.383 0.077 1 407 552 37 TYR CB C 43.841 0.079 1 408 552 37 TYR CD1 C 118.613 0.049 1 409 552 37 TYR CD2 C 118.613 0.049 1 410 552 37 TYR CE1 C 117.377 0.200 1 411 552 37 TYR CE2 C 117.377 0.200 1 412 552 37 TYR N N 118.411 0.040 1 413 553 38 TYR H H 9.341 0.018 1 414 553 38 TYR HA H 5.435 0.015 1 415 553 38 TYR HB2 H 2.649 0.008 2 416 553 38 TYR HB3 H 2.510 0.020 2 417 553 38 TYR HD1 H 6.864 0.001 1 418 553 38 TYR HD2 H 6.864 0.001 1 419 553 38 TYR HE1 H 6.648 0.002 1 420 553 38 TYR HE2 H 6.648 0.002 1 421 553 38 TYR CA C 55.683 0.050 1 422 553 38 TYR CB C 40.487 0.067 1 423 553 38 TYR CD1 C 133.060 0.035 1 424 553 38 TYR CD2 C 133.060 0.035 1 425 553 38 TYR CE1 C 117.743 0.246 1 426 553 38 TYR CE2 C 117.743 0.246 1 427 553 38 TYR N N 117.086 0.049 1 428 554 39 GLY H H 8.401 0.005 1 429 554 39 GLY HA2 H 2.590 0.020 2 430 554 39 GLY HA3 H 2.253 0.020 2 431 554 39 GLY CA C 42.639 0.092 1 432 554 39 GLY N N 106.829 0.036 1 433 555 40 PRO HA H 4.210 0.009 1 434 555 40 PRO HB2 H 2.276 0.030 2 435 555 40 PRO HB3 H 1.887 0.003 2 436 555 40 PRO HG2 H 2.058 0.010 2 437 555 40 PRO HG3 H 1.755 0.001 2 438 555 40 PRO HD2 H 3.043 0.014 2 439 555 40 PRO HD3 H 1.279 0.020 2 440 555 40 PRO CA C 64.581 0.147 1 441 555 40 PRO CB C 31.726 0.104 1 442 555 40 PRO CG C 27.835 0.058 1 443 555 40 PRO CD C 48.232 0.067 1 444 556 41 CYS H H 7.124 0.021 1 445 556 41 CYS HA H 4.796 0.012 1 446 556 41 CYS HB2 H 3.068 0.020 2 447 556 41 CYS HB3 H 2.690 0.020 2 448 556 41 CYS CB C 30.146 0.231 1 449 556 41 CYS N N 113.166 0.128 1 450 557 42 GLY H H 8.077 0.020 1 451 557 42 GLY HA2 H 4.413 0.020 2 452 557 42 GLY HA3 H 3.509 0.020 2 453 557 42 GLY CA C 44.878 0.103 1 454 557 42 GLY N N 113.073 0.025 1 455 558 43 LYS H H 8.579 0.016 1 456 558 43 LYS HA H 3.984 0.012 1 457 558 43 LYS HB2 H 1.931 0.013 2 458 558 43 LYS HB3 H 1.398 0.003 2 459 558 43 LYS HG2 H 1.388 0.020 2 460 558 43 LYS HG3 H 1.165 0.023 2 461 558 43 LYS HD2 H 1.704 0.020 2 462 558 43 LYS HD3 H 1.655 0.007 2 463 558 43 LYS HE2 H 3.082 0.020 2 464 558 43 LYS HE3 H 2.941 0.020 2 465 558 43 LYS CA C 57.782 0.012 1 466 558 43 LYS CB C 34.064 0.046 1 467 558 43 LYS CG C 24.941 0.044 1 468 558 43 LYS CD C 29.470 0.106 1 469 558 43 LYS CE C 42.090 0.007 1 470 558 43 LYS N N 125.675 0.037 1 471 559 44 ARG H H 8.480 0.006 1 472 559 44 ARG HA H 4.249 0.023 1 473 559 44 ARG HB2 H 1.486 0.018 2 474 559 44 ARG HB3 H 1.406 0.020 2 475 559 44 ARG HG2 H 0.563 0.009 2 476 559 44 ARG HG3 H 0.494 0.006 2 477 559 44 ARG HD2 H 2.116 0.012 2 478 559 44 ARG HD3 H 2.067 0.020 2 479 559 44 ARG CA C 55.475 0.200 1 480 559 44 ARG CB C 31.249 0.171 1 481 559 44 ARG CG C 26.375 0.080 1 482 559 44 ARG CD C 42.770 0.032 1 483 559 44 ARG N N 127.788 0.049 1 484 560 45 MET H H 9.608 0.009 1 485 560 45 MET HA H 4.505 0.005 1 486 560 45 MET HB2 H 1.924 0.020 2 487 560 45 MET HB3 H 1.780 0.020 2 488 560 45 MET HG2 H 2.463 0.005 2 489 560 45 MET HG3 H 1.909 0.005 2 490 560 45 MET HE H 1.169 0.004 1 491 560 45 MET CA C 55.317 0.015 1 492 560 45 MET CB C 38.063 0.114 1 493 560 45 MET CG C 33.264 0.057 1 494 560 45 MET CE C 19.333 0.031 1 495 560 45 MET N N 128.096 0.084 1 496 561 46 LYS H H 8.936 0.013 1 497 561 46 LYS HA H 4.791 0.010 1 498 561 46 LYS HB2 H 1.998 0.018 2 499 561 46 LYS HB3 H 1.661 0.026 2 500 561 46 LYS HG2 H 0.924 0.007 2 501 561 46 LYS HG3 H 0.356 0.010 2 502 561 46 LYS HD2 H 1.302 0.003 2 503 561 46 LYS HD3 H 1.243 0.005 2 504 561 46 LYS HE2 H 2.242 0.003 2 505 561 46 LYS HE3 H 1.708 0.020 2 506 561 46 LYS CB C 35.072 0.097 1 507 561 46 LYS CG C 25.134 0.061 1 508 561 46 LYS CD C 29.636 0.107 1 509 561 46 LYS CE C 41.226 0.037 1 510 561 46 LYS N N 120.445 0.078 1 511 562 47 GLN H H 7.412 0.006 1 512 562 47 GLN HA H 4.022 0.001 1 513 562 47 GLN HB2 H 1.771 0.010 1 514 562 47 GLN HB3 H 1.771 0.010 1 515 562 47 GLN HG2 H 2.263 0.003 2 516 562 47 GLN HG3 H 2.143 0.001 2 517 562 47 GLN HE21 H 6.853 0.010 1 518 562 47 GLN HE22 H 7.562 0.020 1 519 562 47 GLN CA C 53.575 0.045 1 520 562 47 GLN CB C 32.864 0.061 1 521 562 47 GLN CG C 33.130 0.175 1 522 562 47 GLN N N 113.119 0.030 1 523 562 47 GLN NE2 N 111.961 0.115 1 524 563 48 PHE H H 8.874 0.015 1 525 563 48 PHE HA H 4.187 0.002 1 526 563 48 PHE HB2 H 3.179 0.004 2 527 563 48 PHE HB3 H 2.895 0.004 2 528 563 48 PHE HD1 H 7.281 0.002 1 529 563 48 PHE HD2 H 7.281 0.002 1 530 563 48 PHE HE1 H 7.353 0.005 1 531 563 48 PHE HE2 H 7.353 0.005 1 532 563 48 PHE HZ H 6.907 0.006 1 533 563 48 PHE CA C 62.316 0.111 1 534 563 48 PHE CB C 36.642 0.037 1 535 563 48 PHE CD1 C 131.110 0.099 1 536 563 48 PHE CD2 C 131.110 0.099 1 537 563 48 PHE CE1 C 131.189 0.201 1 538 563 48 PHE CE2 C 131.189 0.201 1 539 563 48 PHE CZ C 130.486 0.065 1 540 563 48 PHE N N 124.341 0.048 1 541 564 49 PRO HA H 4.079 0.004 1 542 564 49 PRO HB2 H 2.312 0.009 2 543 564 49 PRO HB3 H 1.777 0.020 2 544 564 49 PRO HG2 H 2.075 0.001 2 545 564 49 PRO HG3 H 1.954 0.015 2 546 564 49 PRO HD2 H 3.838 0.005 2 547 564 49 PRO HD3 H 3.572 0.011 2 548 564 49 PRO CA C 66.438 0.116 1 549 564 49 PRO CB C 30.939 0.128 1 550 564 49 PRO CG C 28.492 0.085 1 551 564 49 PRO CD C 50.377 0.163 1 552 565 50 GLU H H 7.152 0.013 1 553 565 50 GLU HA H 4.031 0.020 1 554 565 50 GLU HB2 H 2.362 0.020 2 555 565 50 GLU HB3 H 2.067 0.010 2 556 565 50 GLU HG2 H 2.288 0.013 1 557 565 50 GLU HG3 H 2.288 0.013 1 558 565 50 GLU CA C 58.800 0.049 1 559 565 50 GLU CB C 30.068 0.080 1 560 565 50 GLU CG C 36.893 0.200 1 561 565 50 GLU N N 113.981 0.014 1 562 566 51 VAL H H 7.336 0.007 1 563 566 51 VAL HA H 3.786 0.006 1 564 566 51 VAL HB H 1.944 0.007 1 565 566 51 VAL HG1 H -0.400 0.001 2 566 566 51 VAL HG2 H 0.770 0.020 2 567 566 51 VAL CA C 66.074 0.024 1 568 566 51 VAL CB C 31.688 0.023 1 569 566 51 VAL CG1 C 19.078 0.005 2 570 566 51 VAL CG2 C 22.607 0.042 2 571 566 51 VAL N N 122.190 0.026 1 572 567 52 ILE H H 7.723 0.003 1 573 567 52 ILE HA H 3.342 0.006 1 574 567 52 ILE HB H 1.726 0.002 1 575 567 52 ILE HG12 H 1.135 0.005 2 576 567 52 ILE HG13 H 0.770 0.013 2 577 567 52 ILE HG2 H 0.770 0.001 1 578 567 52 ILE HD1 H 0.473 0.008 1 579 567 52 ILE CA C 64.443 0.025 1 580 567 52 ILE CB C 36.893 0.045 1 581 567 52 ILE CG1 C 28.347 0.082 1 582 567 52 ILE CG2 C 17.066 0.017 1 583 567 52 ILE CD1 C 11.699 0.007 1 584 567 52 ILE N N 118.352 0.015 1 585 568 53 LYS H H 7.619 0.002 1 586 568 53 LYS HA H 4.005 0.011 1 587 568 53 LYS HB2 H 1.836 0.005 1 588 568 53 LYS HB3 H 1.836 0.005 1 589 568 53 LYS HG2 H 1.465 0.002 2 590 568 53 LYS HG3 H 1.390 0.020 2 591 568 53 LYS HD2 H 1.634 0.012 1 592 568 53 LYS HD3 H 1.634 0.012 1 593 568 53 LYS HE2 H 2.878 0.024 1 594 568 53 LYS HE3 H 2.878 0.024 1 595 568 53 LYS CA C 59.298 0.056 1 596 568 53 LYS CB C 32.333 0.036 1 597 568 53 LYS CG C 25.016 0.030 1 598 568 53 LYS CD C 29.361 0.200 1 599 568 53 LYS CE C 41.841 0.004 1 600 568 53 LYS N N 119.675 0.035 1 601 569 54 TYR H H 7.919 0.003 1 602 569 54 TYR HA H 3.928 0.004 1 603 569 54 TYR HB2 H 3.357 0.020 2 604 569 54 TYR HB3 H 3.218 0.001 2 605 569 54 TYR HD1 H 6.959 0.002 1 606 569 54 TYR HD2 H 6.959 0.002 1 607 569 54 TYR HE1 H 6.680 0.006 1 608 569 54 TYR HE2 H 6.680 0.006 1 609 569 54 TYR CA C 62.194 0.053 1 610 569 54 TYR CB C 39.673 0.043 1 611 569 54 TYR CD1 C 133.863 0.081 1 612 569 54 TYR CD2 C 133.863 0.081 1 613 569 54 TYR CE1 C 117.962 0.044 1 614 569 54 TYR CE2 C 117.962 0.044 1 615 569 54 TYR N N 122.728 0.022 1 616 570 55 LEU H H 8.766 0.020 1 617 570 55 LEU HA H 4.151 0.006 1 618 570 55 LEU HB2 H 1.888 0.013 2 619 570 55 LEU HB3 H 1.615 0.005 2 620 570 55 LEU HG H 2.017 0.020 1 621 570 55 LEU HD1 H 0.589 0.010 2 622 570 55 LEU HD2 H 0.950 0.004 2 623 570 55 LEU CA C 57.146 0.119 1 624 570 55 LEU CB C 41.397 0.033 1 625 570 55 LEU CG C 26.514 0.015 1 626 570 55 LEU CD1 C 25.087 0.022 2 627 570 55 LEU CD2 C 22.806 0.005 2 628 570 55 LEU N N 117.924 0.013 1 629 571 56 SER H H 7.634 0.006 1 630 571 56 SER HA H 4.337 0.020 1 631 571 56 SER HB2 H 3.974 0.002 1 632 571 56 SER HB3 H 3.974 0.002 1 633 571 56 SER CA C 60.473 0.200 1 634 571 56 SER CB C 63.305 0.011 1 635 571 56 SER N N 112.155 0.010 1 636 572 57 ARG H H 7.649 0.009 1 637 572 57 ARG HA H 4.231 0.020 1 638 572 57 ARG HB2 H 1.755 0.020 2 639 572 57 ARG HB3 H 1.650 0.001 2 640 572 57 ARG HG2 H 1.621 0.031 2 641 572 57 ARG HG3 H 1.554 0.020 2 642 572 57 ARG HD2 H 3.030 0.010 1 643 572 57 ARG HD3 H 3.030 0.010 1 644 572 57 ARG CA C 56.929 0.097 1 645 572 57 ARG CB C 31.062 0.027 1 646 572 57 ARG CG C 27.021 0.053 1 647 572 57 ARG CD C 43.258 0.061 1 648 572 57 ARG N N 120.073 0.072 1 649 573 58 ASN H H 7.665 0.005 1 650 573 58 ASN HA H 4.747 0.005 1 651 573 58 ASN HB2 H 2.535 0.011 2 652 573 58 ASN HB3 H 2.340 0.006 2 653 573 58 ASN HD21 H 6.446 0.005 1 654 573 58 ASN HD22 H 6.673 0.005 1 655 573 58 ASN CA C 52.760 0.006 1 656 573 58 ASN CB C 39.941 0.102 1 657 573 58 ASN N N 117.160 0.235 1 658 573 58 ASN ND2 N 114.270 0.079 1 659 574 59 VAL H H 8.069 0.008 1 660 574 59 VAL HA H 3.883 0.009 1 661 574 59 VAL HB H 2.097 0.003 1 662 574 59 VAL HG1 H 0.836 0.020 2 663 574 59 VAL HG2 H 0.837 0.020 2 664 574 59 VAL CA C 62.966 0.016 1 665 574 59 VAL CB C 31.324 0.036 1 666 574 59 VAL CG1 C 21.514 0.110 2 667 574 59 VAL CG2 C 20.708 0.022 2 668 574 59 VAL N N 119.798 0.019 1 669 575 60 VAL H H 8.261 0.007 1 670 575 60 VAL HA H 4.165 0.009 1 671 575 60 VAL HB H 2.199 0.003 1 672 575 60 VAL HG1 H 1.043 0.020 2 673 575 60 VAL HG2 H 1.031 0.003 2 674 575 60 VAL CA C 61.983 0.034 1 675 575 60 VAL CB C 33.087 0.036 1 676 575 60 VAL CG1 C 21.999 0.167 2 677 575 60 VAL CG2 C 21.084 0.004 2 678 575 60 VAL N N 123.398 0.008 1 679 576 61 HIS HA H 4.750 0.004 1 680 576 61 HIS HB2 H 3.160 0.020 2 681 576 61 HIS HB3 H 3.096 0.002 2 682 576 61 HIS HD2 H 7.070 0.020 1 683 576 61 HIS HE1 H 7.821 0.020 1 684 576 61 HIS CA C 56.780 0.200 1 685 576 61 HIS CB C 31.353 0.107 1 686 576 61 HIS CD2 C 119.477 0.135 1 687 576 61 HIS CE1 C 138.423 0.200 1 688 577 62 SER HA H 4.070 0.020 1 689 577 62 SER HB2 H 3.529 0.002 2 690 577 62 SER HB3 H 3.385 0.020 2 691 577 62 SER CA C 60.515 0.018 1 692 577 62 SER CB C 62.882 0.054 1 693 578 63 VAL H H 7.257 0.006 1 694 578 63 VAL HA H 4.269 0.001 1 695 578 63 VAL HB H 1.919 0.005 1 696 578 63 VAL HG1 H 0.549 0.003 2 697 578 63 VAL HG2 H 0.655 0.001 2 698 578 63 VAL CA C 60.704 0.035 1 699 578 63 VAL CB C 33.587 0.024 1 700 578 63 VAL CG1 C 22.086 0.010 2 701 578 63 VAL CG2 C 20.313 0.006 2 702 578 63 VAL N N 116.674 0.067 1 703 579 64 ARG H H 10.335 0.012 1 704 579 64 ARG HA H 4.652 0.006 1 705 579 64 ARG HB2 H 1.973 0.010 2 706 579 64 ARG HB3 H 1.102 0.004 2 707 579 64 ARG HG2 H 1.464 0.012 1 708 579 64 ARG HG3 H 1.464 0.012 1 709 579 64 ARG HD2 H 3.196 0.020 2 710 579 64 ARG HD3 H 3.114 0.013 2 711 579 64 ARG CA C 54.242 0.061 1 712 579 64 ARG CB C 34.485 0.084 1 713 579 64 ARG CG C 27.448 0.263 1 714 579 64 ARG CD C 43.231 0.100 1 715 579 64 ARG N N 126.332 0.092 1 716 580 65 ARG H H 8.810 0.005 1 717 580 65 ARG HA H 3.870 0.011 1 718 580 65 ARG HB2 H 1.878 0.007 2 719 580 65 ARG HB3 H 1.728 0.012 2 720 580 65 ARG HG2 H 1.694 0.004 2 721 580 65 ARG HG3 H 1.604 0.007 2 722 580 65 ARG HD2 H 3.105 0.005 1 723 580 65 ARG HD3 H 3.105 0.005 1 724 580 65 ARG CA C 60.061 0.077 1 725 580 65 ARG CB C 29.900 0.045 1 726 580 65 ARG CG C 26.238 0.166 1 727 580 65 ARG CD C 43.538 0.053 1 728 580 65 ARG N N 119.744 0.043 1 729 581 66 GLU H H 9.052 0.011 1 730 581 66 GLU HA H 4.194 0.008 1 731 581 66 GLU HB2 H 1.914 0.008 2 732 581 66 GLU HB3 H 1.792 0.020 2 733 581 66 GLU HG2 H 1.941 0.010 2 734 581 66 GLU HG3 H 1.721 0.020 2 735 581 66 GLU CA C 58.339 0.215 1 736 581 66 GLU CB C 27.984 0.078 1 737 581 66 GLU CG C 35.733 0.063 1 738 581 66 GLU N N 116.336 0.012 1 739 582 67 HIS H H 7.854 0.004 1 740 582 67 HIS HA H 4.168 0.002 1 741 582 67 HIS HB2 H 3.075 0.003 2 742 582 67 HIS HB3 H 2.644 0.004 2 743 582 67 HIS HD2 H 6.716 0.008 1 744 582 67 HIS HE1 H 7.489 0.003 1 745 582 67 HIS CA C 56.769 0.035 1 746 582 67 HIS CB C 31.075 0.077 1 747 582 67 HIS CD2 C 114.738 0.192 1 748 582 67 HIS CE1 C 137.285 0.066 1 749 582 67 HIS N N 117.398 0.017 1 750 583 68 PHE H H 7.323 0.020 1 751 583 68 PHE HA H 3.954 0.020 1 752 583 68 PHE HB2 H 2.891 0.001 2 753 583 68 PHE HB3 H 2.067 0.004 2 754 583 68 PHE HD1 H 6.089 0.014 1 755 583 68 PHE HD2 H 6.089 0.014 1 756 583 68 PHE HE1 H 6.033 0.020 1 757 583 68 PHE HE2 H 6.033 0.020 1 758 583 68 PHE HZ H 6.774 0.017 1 759 583 68 PHE CA C 58.281 0.010 1 760 583 68 PHE CB C 41.562 0.091 1 761 583 68 PHE CD1 C 130.893 0.020 1 762 583 68 PHE CD2 C 130.893 0.020 1 763 583 68 PHE CE1 C 130.877 0.200 1 764 583 68 PHE CE2 C 130.877 0.200 1 765 583 68 PHE CZ C 128.759 0.050 1 766 583 68 PHE N N 115.626 0.033 1 767 584 69 SER H H 8.043 0.020 1 768 584 69 SER HA H 4.800 0.001 1 769 584 69 SER HB2 H 3.881 0.020 2 770 584 69 SER HB3 H 3.297 0.020 2 771 584 69 SER CB C 65.963 0.094 1 772 584 69 SER N N 110.934 0.074 1 773 585 70 PHE H H 7.303 0.020 1 774 585 70 PHE HA H 4.533 0.001 1 775 585 70 PHE HB2 H 2.945 0.005 2 776 585 70 PHE HB3 H 3.684 0.009 2 777 585 70 PHE HD1 H 7.337 0.009 1 778 585 70 PHE HD2 H 7.337 0.009 1 779 585 70 PHE HE1 H 6.927 0.001 1 780 585 70 PHE HE2 H 6.927 0.001 1 781 585 70 PHE HZ H 6.439 0.003 1 782 585 70 PHE CA C 58.550 0.045 1 783 585 70 PHE CB C 37.966 0.031 1 784 585 70 PHE CD1 C 132.036 0.104 1 785 585 70 PHE CD2 C 132.036 0.104 1 786 585 70 PHE CE1 C 130.652 0.020 1 787 585 70 PHE CE2 C 130.652 0.020 1 788 585 70 PHE CZ C 133.204 0.167 1 789 585 70 PHE N N 112.139 0.200 1 790 586 71 SER H H 8.085 0.004 1 791 586 71 SER HA H 4.813 0.014 1 792 586 71 SER HB2 H 4.055 0.020 2 793 586 71 SER HB3 H 3.725 0.020 2 794 586 71 SER CB C 63.782 0.017 1 795 586 71 SER N N 116.709 0.023 1 796 587 72 PRO HA H 4.456 0.016 1 797 587 72 PRO HB2 H 1.831 0.004 2 798 587 72 PRO HB3 H 1.672 0.020 2 799 587 72 PRO HG2 H 2.072 0.002 2 800 587 72 PRO HG3 H 1.851 0.003 2 801 587 72 PRO HD2 H 4.177 0.011 2 802 587 72 PRO HD3 H 4.117 0.020 2 803 587 72 PRO CA C 63.661 0.094 1 804 587 72 PRO CB C 32.184 0.086 1 805 587 72 PRO CG C 26.901 0.117 1 806 587 72 PRO CD C 51.130 0.088 1 807 588 73 ARG H H 7.165 0.014 1 808 588 73 ARG HA H 4.247 0.005 1 809 588 73 ARG HB2 H 1.957 0.006 2 810 588 73 ARG HB3 H 1.382 0.008 2 811 588 73 ARG HG2 H 1.473 0.003 2 812 588 73 ARG HG3 H 1.426 0.020 2 813 588 73 ARG HD2 H 3.165 0.016 1 814 588 73 ARG HD3 H 3.165 0.016 1 815 588 73 ARG CA C 55.238 0.147 1 816 588 73 ARG CB C 30.270 0.043 1 817 588 73 ARG CG C 28.293 0.043 1 818 588 73 ARG CD C 43.453 0.015 1 819 588 73 ARG N N 111.090 0.066 1 820 589 74 MET H H 7.127 0.004 1 821 589 74 MET HA H 4.908 0.020 1 822 589 74 MET HB2 H 2.164 0.014 1 823 589 74 MET HB3 H 2.164 0.014 1 824 589 74 MET HG2 H 2.444 0.009 1 825 589 74 MET HG3 H 2.444 0.009 1 826 589 74 MET HE H 1.942 0.005 1 827 589 74 MET CA C 51.265 0.200 1 828 589 74 MET CB C 31.968 0.150 1 829 589 74 MET CG C 32.129 0.061 1 830 589 74 MET CE C 16.064 0.009 1 831 589 74 MET N N 121.229 0.081 1 832 590 75 PRO HA H 4.620 0.015 1 833 590 75 PRO HB2 H 2.214 0.006 2 834 590 75 PRO HB3 H 1.296 0.011 2 835 590 75 PRO HG2 H 1.974 0.008 2 836 590 75 PRO HG3 H 1.710 0.018 2 837 590 75 PRO HD2 H 4.067 0.011 2 838 590 75 PRO HD3 H 3.901 0.005 2 839 590 75 PRO CA C 62.904 0.069 1 840 590 75 PRO CB C 27.942 0.049 1 841 590 75 PRO CG C 27.089 0.163 1 842 590 75 PRO CD C 51.211 0.017 1 843 591 76 VAL H H 8.369 0.010 1 844 591 76 VAL HA H 4.192 0.017 1 845 591 76 VAL HB H 1.359 0.005 1 846 591 76 VAL HG1 H 0.771 0.007 2 847 591 76 VAL HG2 H 0.768 0.002 2 848 591 76 VAL CA C 61.961 0.057 1 849 591 76 VAL CB C 35.844 0.060 1 850 591 76 VAL CG1 C 22.267 0.005 2 851 591 76 VAL CG2 C 21.404 0.095 2 852 591 76 VAL N N 124.562 0.033 1 853 592 77 GLY H H 8.765 0.015 1 854 592 77 GLY HA2 H 4.564 0.020 2 855 592 77 GLY HA3 H 3.739 0.020 2 856 592 77 GLY CA C 43.115 0.075 1 857 592 77 GLY N N 115.843 0.015 1 858 593 78 ASP H H 8.447 0.018 1 859 593 78 ASP HA H 4.816 0.001 1 860 593 78 ASP HB2 H 2.542 0.020 2 861 593 78 ASP HB3 H 2.391 0.020 2 862 593 78 ASP CB C 43.701 0.090 1 863 593 78 ASP N N 119.351 0.065 1 864 594 79 PHE H H 9.237 0.001 1 865 594 79 PHE HA H 5.383 0.011 1 866 594 79 PHE HB2 H 2.864 0.003 2 867 594 79 PHE HB3 H 2.386 0.026 2 868 594 79 PHE HD1 H 6.920 0.011 1 869 594 79 PHE HD2 H 6.920 0.011 1 870 594 79 PHE HE1 H 6.952 0.019 1 871 594 79 PHE HE2 H 6.952 0.019 1 872 594 79 PHE HZ H 7.182 0.020 1 873 594 79 PHE CA C 56.065 0.034 1 874 594 79 PHE CB C 43.410 0.085 1 875 594 79 PHE CD1 C 130.321 0.086 1 876 594 79 PHE CD2 C 130.321 0.086 1 877 594 79 PHE CE1 C 131.352 0.200 1 878 594 79 PHE CE2 C 131.352 0.200 1 879 594 79 PHE CZ C 131.328 0.200 1 880 594 79 PHE N N 124.501 0.025 1 881 595 80 PHE H H 9.235 0.020 1 882 595 80 PHE HA H 5.425 0.009 1 883 595 80 PHE HB2 H 2.988 0.018 2 884 595 80 PHE HB3 H 2.590 0.016 2 885 595 80 PHE HD1 H 6.761 0.031 1 886 595 80 PHE HD2 H 6.761 0.031 1 887 595 80 PHE HE1 H 7.053 0.003 1 888 595 80 PHE HE2 H 7.053 0.003 1 889 595 80 PHE HZ H 7.077 0.004 1 890 595 80 PHE CA C 55.904 0.123 1 891 595 80 PHE CB C 45.124 0.064 1 892 595 80 PHE CD1 C 131.100 0.073 1 893 595 80 PHE CD2 C 131.100 0.073 1 894 595 80 PHE CE1 C 131.110 0.200 1 895 595 80 PHE CE2 C 131.110 0.200 1 896 595 80 PHE CZ C 129.698 0.260 1 897 595 80 PHE N N 118.735 0.058 1 898 596 81 GLU H H 9.468 0.010 1 899 596 81 GLU HA H 5.849 0.004 1 900 596 81 GLU HB2 H 1.926 0.006 1 901 596 81 GLU HB3 H 1.926 0.006 1 902 596 81 GLU HG2 H 2.075 0.015 1 903 596 81 GLU HG3 H 2.075 0.015 1 904 596 81 GLU CA C 53.694 0.014 1 905 596 81 GLU CB C 35.383 0.042 1 906 596 81 GLU CG C 36.816 0.031 1 907 596 81 GLU N N 121.636 0.019 1 908 597 82 GLU H H 8.239 0.005 1 909 597 82 GLU HA H 4.015 0.008 1 910 597 82 GLU HB2 H 1.507 0.003 1 911 597 82 GLU HB3 H 1.507 0.003 1 912 597 82 GLU HG2 H 1.147 0.004 2 913 597 82 GLU HG3 H 0.696 0.011 2 914 597 82 GLU CA C 55.688 0.118 1 915 597 82 GLU CB C 29.435 0.126 1 916 597 82 GLU CG C 37.178 0.054 1 917 597 82 GLU N N 128.720 0.090 1 918 598 83 ARG H H 9.011 0.011 1 919 598 83 ARG HA H 4.685 0.002 1 920 598 83 ARG HB2 H 1.793 0.020 2 921 598 83 ARG HB3 H 1.598 0.020 2 922 598 83 ARG HG2 H 1.601 0.012 1 923 598 83 ARG HG3 H 1.601 0.012 1 924 598 83 ARG HD2 H 3.134 0.017 2 925 598 83 ARG HD3 H 2.992 0.009 2 926 598 83 ARG CA C 54.658 0.115 1 927 598 83 ARG CB C 34.242 0.115 1 928 598 83 ARG CG C 27.160 0.048 1 929 598 83 ARG CD C 43.669 0.200 1 930 598 83 ARG N N 126.756 0.038 1 931 599 84 ASP H H 8.518 0.008 1 932 599 84 ASP HA H 4.612 0.020 1 933 599 84 ASP HB2 H 2.547 0.003 2 934 599 84 ASP HB3 H 2.391 0.002 2 935 599 84 ASP CA C 54.866 0.087 1 936 599 84 ASP CB C 41.328 0.018 1 937 599 84 ASP N N 121.763 0.017 1 938 600 85 THR H H 7.667 0.006 1 939 600 85 THR HA H 4.995 0.010 1 940 600 85 THR HB H 4.529 0.003 1 941 600 85 THR HG2 H 1.156 0.003 1 942 600 85 THR CA C 60.254 0.028 1 943 600 85 THR CB C 70.398 0.141 1 944 600 85 THR CG2 C 21.144 0.015 1 945 600 85 THR N N 116.659 0.053 1 946 601 86 PRO HA H 4.341 0.013 1 947 601 86 PRO HB2 H 2.397 0.020 2 948 601 86 PRO HB3 H 1.892 0.020 2 949 601 86 PRO HG2 H 2.125 0.011 2 950 601 86 PRO HG3 H 1.908 0.026 2 951 601 86 PRO HD2 H 3.887 0.008 2 952 601 86 PRO HD3 H 3.782 0.020 2 953 601 86 PRO CA C 65.124 0.216 1 954 601 86 PRO CB C 31.630 0.127 1 955 601 86 PRO CG C 28.116 0.054 1 956 601 86 PRO CD C 50.856 0.110 1 957 602 87 GLU H H 7.721 0.011 1 958 602 87 GLU HA H 4.369 0.002 1 959 602 87 GLU HB2 H 1.703 0.008 2 960 602 87 GLU HB3 H 2.193 0.010 2 961 602 87 GLU HG2 H 2.223 0.020 2 962 602 87 GLU HG3 H 2.101 0.020 2 963 602 87 GLU CA C 55.927 0.038 1 964 602 87 GLU CB C 29.655 0.022 1 965 602 87 GLU CG C 36.853 0.067 1 966 602 87 GLU N N 114.318 0.011 1 967 603 88 GLY H H 7.820 0.016 1 968 603 88 GLY HA2 H 4.462 0.020 2 969 603 88 GLY HA3 H 3.817 0.020 2 970 603 88 GLY CA C 43.578 0.067 1 971 603 88 GLY N N 109.166 0.046 1 972 604 89 LEU H H 8.484 0.015 1 973 604 89 LEU HA H 4.625 0.009 1 974 604 89 LEU HB2 H 1.454 0.008 2 975 604 89 LEU HB3 H 1.141 0.010 2 976 604 89 LEU HG H 1.361 0.005 1 977 604 89 LEU HD1 H 0.649 0.020 2 978 604 89 LEU HD2 H 0.574 0.013 2 979 604 89 LEU CA C 55.535 0.104 1 980 604 89 LEU CB C 42.049 0.065 1 981 604 89 LEU CG C 26.731 0.023 1 982 604 89 LEU CD1 C 24.601 0.007 2 983 604 89 LEU CD2 C 23.723 0.026 2 984 604 89 LEU N N 123.682 0.065 1 985 605 90 GLN H H 8.806 0.027 1 986 605 90 GLN HA H 4.680 0.003 1 987 605 90 GLN HB2 H 1.712 0.015 1 988 605 90 GLN HB3 H 1.712 0.015 1 989 605 90 GLN HG2 H 2.201 0.004 2 990 605 90 GLN HG3 H 2.048 0.020 2 991 605 90 GLN HE21 H 6.869 0.020 1 992 605 90 GLN HE22 H 7.280 0.020 1 993 605 90 GLN CA C 54.270 0.020 1 994 605 90 GLN CB C 33.279 0.027 1 995 605 90 GLN CG C 33.389 0.189 1 996 605 90 GLN N N 123.187 0.026 1 997 605 90 GLN NE2 N 112.165 0.037 1 998 606 91 TRP H H 8.779 0.001 1 999 606 91 TRP HA H 4.883 0.020 1 1000 606 91 TRP HB2 H 3.061 0.020 2 1001 606 91 TRP HB3 H 2.822 0.020 2 1002 606 91 TRP HD1 H 7.295 0.025 1 1003 606 91 TRP HE1 H 10.207 0.015 1 1004 606 91 TRP HE3 H 7.179 0.020 1 1005 606 91 TRP HZ2 H 7.441 0.007 1 1006 606 91 TRP HZ3 H 7.163 0.002 1 1007 606 91 TRP HH2 H 6.875 0.001 1 1008 606 91 TRP CB C 29.954 0.062 1 1009 606 91 TRP CD1 C 127.908 0.147 1 1010 606 91 TRP CE3 C 119.510 0.156 1 1011 606 91 TRP CZ2 C 115.335 0.049 1 1012 606 91 TRP CZ3 C 119.705 0.085 1 1013 606 91 TRP CH2 C 124.446 0.200 1 1014 606 91 TRP N N 121.916 0.167 1 1015 606 91 TRP NE1 N 130.114 0.071 1 1016 607 92 VAL H H 9.457 0.012 1 1017 607 92 VAL HA H 4.459 0.004 1 1018 607 92 VAL HB H 1.994 0.019 1 1019 607 92 VAL HG1 H 0.976 0.002 2 1020 607 92 VAL HG2 H 0.924 0.002 2 1021 607 92 VAL CA C 61.315 0.129 1 1022 607 92 VAL CB C 34.841 0.125 1 1023 607 92 VAL CG1 C 21.105 0.026 2 1024 607 92 VAL CG2 C 20.990 0.009 2 1025 607 92 VAL N N 125.578 0.200 1 1026 608 93 GLN H H 9.030 0.021 1 1027 608 93 GLN HA H 4.124 0.011 1 1028 608 93 GLN HB2 H 1.728 0.020 1 1029 608 93 GLN HB3 H 1.728 0.020 1 1030 608 93 GLN HG2 H 2.216 0.001 2 1031 608 93 GLN HG3 H 1.582 0.003 2 1032 608 93 GLN HE21 H 6.542 0.011 1 1033 608 93 GLN HE22 H 7.268 0.020 1 1034 608 93 GLN CA C 56.088 0.068 1 1035 608 93 GLN CB C 27.663 0.104 1 1036 608 93 GLN CG C 33.007 0.124 1 1037 608 93 GLN N N 127.538 0.056 1 1038 608 93 GLN NE2 N 108.752 0.165 1 1039 609 94 LEU H H 8.764 0.015 1 1040 609 94 LEU HA H 4.357 0.014 1 1041 609 94 LEU HB2 H 1.477 0.001 2 1042 609 94 LEU HB3 H 1.301 0.008 2 1043 609 94 LEU HG H 1.479 0.005 1 1044 609 94 LEU HD1 H 0.692 0.002 2 1045 609 94 LEU HD2 H 0.645 0.013 2 1046 609 94 LEU CA C 53.983 0.105 1 1047 609 94 LEU CB C 42.794 0.078 1 1048 609 94 LEU CG C 27.191 0.042 1 1049 609 94 LEU CD1 C 26.371 0.053 2 1050 609 94 LEU CD2 C 22.736 0.020 2 1051 609 94 LEU N N 127.350 0.173 1 1052 610 95 SER H H 9.213 0.020 1 1053 610 95 SER HA H 4.481 0.002 1 1054 610 95 SER HB2 H 3.935 0.005 2 1055 610 95 SER HB3 H 4.183 0.001 2 1056 610 95 SER CA C 57.115 0.035 1 1057 610 95 SER CB C 65.005 0.068 1 1058 610 95 SER N N 119.407 0.014 1 1059 611 96 ALA H H 8.863 0.002 1 1060 611 96 ALA HA H 3.909 0.020 1 1061 611 96 ALA HB H 1.375 0.001 1 1062 611 96 ALA CA C 55.425 0.067 1 1063 611 96 ALA CB C 18.108 0.011 1 1064 611 96 ALA N N 123.236 0.064 1 1065 612 97 GLU H H 8.538 0.008 1 1066 612 97 GLU HA H 4.001 0.025 1 1067 612 97 GLU HB2 H 1.946 0.020 1 1068 612 97 GLU HB3 H 1.946 0.020 1 1069 612 97 GLU HG2 H 2.293 0.020 2 1070 612 97 GLU HG3 H 2.213 0.021 2 1071 612 97 GLU CA C 58.613 0.077 1 1072 612 97 GLU CB C 29.039 0.088 1 1073 612 97 GLU CG C 36.741 0.085 1 1074 612 97 GLU N N 114.441 0.026 1 1075 613 98 GLU H H 7.632 0.017 1 1076 613 98 GLU HA H 4.081 0.005 1 1077 613 98 GLU HB2 H 2.206 0.020 2 1078 613 98 GLU HB3 H 1.833 0.021 2 1079 613 98 GLU HG2 H 2.215 0.020 2 1080 613 98 GLU HG3 H 2.130 0.020 2 1081 613 98 GLU CA C 57.283 0.043 1 1082 613 98 GLU CB C 32.550 0.078 1 1083 613 98 GLU CG C 37.477 0.159 1 1084 613 98 GLU N N 118.838 0.015 1 1085 614 99 ILE H H 7.069 0.013 1 1086 614 99 ILE HA H 3.194 0.004 1 1087 614 99 ILE HB H 1.560 0.015 1 1088 614 99 ILE HG12 H 1.613 0.020 2 1089 614 99 ILE HG13 H 0.049 0.005 2 1090 614 99 ILE HG2 H -0.164 0.007 1 1091 614 99 ILE HD1 H 0.518 0.003 1 1092 614 99 ILE CA C 67.892 0.183 1 1093 614 99 ILE CB C 36.646 0.031 1 1094 614 99 ILE CG1 C 30.233 0.053 1 1095 614 99 ILE CG2 C 15.915 0.008 1 1096 614 99 ILE CD1 C 13.569 0.019 1 1097 614 99 ILE N N 118.572 0.041 1 1098 615 100 PRO HA H 3.964 0.012 1 1099 615 100 PRO HB2 H 2.210 0.005 1 1100 615 100 PRO HB3 H 2.210 0.005 1 1101 615 100 PRO HG2 H 2.024 0.012 2 1102 615 100 PRO HG3 H 1.776 0.016 2 1103 615 100 PRO HD2 H 3.571 0.007 2 1104 615 100 PRO HD3 H 3.409 0.007 2 1105 615 100 PRO CA C 66.632 0.047 1 1106 615 100 PRO CB C 30.813 0.013 1 1107 615 100 PRO CG C 28.245 0.126 1 1108 615 100 PRO CD C 49.651 0.029 1 1109 616 101 SER H H 7.924 0.006 1 1110 616 101 SER HA H 4.092 0.001 1 1111 616 101 SER HB2 H 3.864 0.001 2 1112 616 101 SER HB3 H 3.799 0.020 2 1113 616 101 SER CA C 60.818 0.083 1 1114 616 101 SER CB C 62.587 0.039 1 1115 616 101 SER N N 111.176 0.025 1 1116 617 102 ARG H H 7.556 0.014 1 1117 617 102 ARG HA H 3.915 0.020 1 1118 617 102 ARG HB2 H 1.639 0.005 1 1119 617 102 ARG HB3 H 1.639 0.005 1 1120 617 102 ARG HG2 H 1.450 0.005 1 1121 617 102 ARG HG3 H 1.450 0.005 1 1122 617 102 ARG HD2 H 2.883 0.003 2 1123 617 102 ARG HD3 H 2.729 0.002 2 1124 617 102 ARG CA C 57.965 0.033 1 1125 617 102 ARG CB C 29.055 0.200 1 1126 617 102 ARG CG C 27.790 0.101 1 1127 617 102 ARG CD C 41.699 0.120 1 1128 617 102 ARG N N 123.814 0.053 1 1129 618 103 ILE H H 7.940 0.013 1 1130 618 103 ILE HA H 3.599 0.013 1 1131 618 103 ILE HB H 1.788 0.007 1 1132 618 103 ILE HG12 H 1.461 0.009 2 1133 618 103 ILE HG13 H 1.121 0.007 2 1134 618 103 ILE HG2 H 0.816 0.008 1 1135 618 103 ILE HD1 H 0.520 0.003 1 1136 618 103 ILE CA C 65.310 0.028 1 1137 618 103 ILE CB C 37.451 0.056 1 1138 618 103 ILE CG1 C 29.000 0.091 1 1139 618 103 ILE CG2 C 17.598 0.019 1 1140 618 103 ILE CD1 C 13.620 0.024 1 1141 618 103 ILE N N 117.752 0.049 1 1142 619 104 GLN H H 7.699 0.002 1 1143 619 104 GLN HA H 3.955 0.001 1 1144 619 104 GLN HB2 H 2.033 0.003 1 1145 619 104 GLN HB3 H 2.033 0.003 1 1146 619 104 GLN HG2 H 2.356 0.020 1 1147 619 104 GLN HG3 H 2.356 0.020 1 1148 619 104 GLN HE21 H 6.811 0.003 1 1149 619 104 GLN HE22 H 7.451 0.020 1 1150 619 104 GLN CA C 58.252 0.006 1 1151 619 104 GLN CB C 28.178 0.007 1 1152 619 104 GLN CG C 33.735 0.061 1 1153 619 104 GLN N N 118.638 0.017 1 1154 619 104 GLN NE2 N 112.128 0.115 1 1155 620 105 ALA H H 7.337 0.005 1 1156 620 105 ALA HA H 4.163 0.020 1 1157 620 105 ALA HB H 1.124 0.020 1 1158 620 105 ALA CA C 53.710 0.017 1 1159 620 105 ALA CB C 18.354 0.069 1 1160 620 105 ALA N N 120.611 0.071 1 1161 621 106 ILE H H 7.360 0.026 1 1162 621 106 ILE HA H 4.326 0.005 1 1163 621 106 ILE HB H 2.023 0.014 1 1164 621 106 ILE HG12 H 1.534 0.006 2 1165 621 106 ILE HG13 H 1.250 0.015 2 1166 621 106 ILE HG2 H 0.840 0.013 1 1167 621 106 ILE HD1 H 0.693 0.006 1 1168 621 106 ILE CA C 61.900 0.070 1 1169 621 106 ILE CB C 38.334 0.029 1 1170 621 106 ILE CG1 C 26.786 0.044 1 1171 621 106 ILE CG2 C 17.626 0.002 1 1172 621 106 ILE CD1 C 14.152 0.021 1 1173 621 106 ILE N N 113.575 0.036 1 1174 622 107 THR H H 7.967 0.007 1 1175 622 107 THR HA H 4.316 0.005 1 1176 622 107 THR HB H 4.297 0.020 1 1177 622 107 THR HG2 H 1.241 0.009 1 1178 622 107 THR CA C 63.183 0.022 1 1179 622 107 THR CB C 70.050 0.023 1 1180 622 107 THR CG2 C 21.229 0.200 1 1181 622 107 THR N N 118.645 0.062 1 1182 623 108 GLY H H 8.467 0.004 1 1183 623 108 GLY HA2 H 4.109 0.007 2 1184 623 108 GLY HA3 H 4.023 0.003 2 1185 623 108 GLY CA C 45.270 0.047 1 1186 623 108 GLY N N 111.958 0.017 1 1187 624 109 SER H H 8.017 0.008 1 1188 624 109 SER HA H 4.317 0.020 1 1189 624 109 SER HB2 H 3.902 0.005 1 1190 624 109 SER HB3 H 3.902 0.005 1 1191 624 109 SER CA C 60.073 0.200 1 1192 624 109 SER CB C 64.847 0.001 1 1193 624 109 SER N N 121.257 0.007 1 stop_ save_