data_6607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of AT-Rich Interaction Domain (ARID) of Jumonji ; _BMRB_accession_number 6607 _BMRB_flat_file_name bmr6607.str _Entry_type original _Submission_date 2005-04-25 _Accession_date 2005-04-25 _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 Kusunoki Hideki . . 2 Hasegawa Tsukasa . . 3 Komatsu Chieko . . 4 Takeuchi Takashi . . 5 Kohno Toshiyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 668 "13C chemical shifts" 495 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-18 update author 'update entry' 2007-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments of the AT-Rich Interaction Domain (ARID) of Jumonji ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16222563 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kusunoki Hideki . . 2 Hasegawa Tsukasa . . 3 Komatsu Chieko . . 4 Takeuchi Takashi . . 5 Kohno Toshiyuki . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 74 _Page_last 74 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Jumonji _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Jumonji $JMJ_ARID stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_JMJ_ARID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'JMJ ARID' _Molecular_mass 13547 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; LGRRWGPNVQRLACIKKHLR SQGITMDELPLIGGCELDLA CFFRLINEMGGMQQVTDLKK WNKLADMLRIPKTAQDRLAK LQEAYCQYLLSYDSLSPEEH RRLEKEVLMEKEILEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 615 LEU 2 616 GLY 3 617 ARG 4 618 ARG 5 619 TRP 6 620 GLY 7 621 PRO 8 622 ASN 9 623 VAL 10 624 GLN 11 625 ARG 12 626 LEU 13 627 ALA 14 628 CYS 15 629 ILE 16 630 LYS 17 631 LYS 18 632 HIS 19 633 LEU 20 634 ARG 21 635 SER 22 636 GLN 23 637 GLY 24 638 ILE 25 639 THR 26 640 MET 27 641 ASP 28 642 GLU 29 643 LEU 30 644 PRO 31 645 LEU 32 646 ILE 33 647 GLY 34 648 GLY 35 649 CYS 36 650 GLU 37 651 LEU 38 652 ASP 39 653 LEU 40 654 ALA 41 655 CYS 42 656 PHE 43 657 PHE 44 658 ARG 45 659 LEU 46 660 ILE 47 661 ASN 48 662 GLU 49 663 MET 50 664 GLY 51 665 GLY 52 666 MET 53 667 GLN 54 668 GLN 55 669 VAL 56 670 THR 57 671 ASP 58 672 LEU 59 673 LYS 60 674 LYS 61 675 TRP 62 676 ASN 63 677 LYS 64 678 LEU 65 679 ALA 66 680 ASP 67 681 MET 68 682 LEU 69 683 ARG 70 684 ILE 71 685 PRO 72 686 LYS 73 687 THR 74 688 ALA 75 689 GLN 76 690 ASP 77 691 ARG 78 692 LEU 79 693 ALA 80 694 LYS 81 695 LEU 82 696 GLN 83 697 GLU 84 698 ALA 85 699 TYR 86 700 CYS 87 701 GLN 88 702 TYR 89 703 LEU 90 704 LEU 91 705 SER 92 706 TYR 93 707 ASP 94 708 SER 95 709 LEU 96 710 SER 97 711 PRO 98 712 GLU 99 713 GLU 100 714 HIS 101 715 ARG 102 716 ARG 103 717 LEU 104 718 GLU 105 719 LYS 106 720 GLU 107 721 VAL 108 722 LEU 109 723 MET 110 724 GLU 111 725 LYS 112 726 GLU 113 727 ILE 114 728 LEU 115 729 GLU 116 730 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2RQ5 "Solution Structure Of The At-Rich Interaction Domain (Arid) Of JumonjiJARID2" 100.00 121 100.00 100.00 4.99e-78 DBJ BAA06736 "jumonji protein [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 DBJ BAC32264 "unnamed protein product [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 DBJ BAE27780 "unnamed protein product [Mus musculus]" 100.00 1062 100.00 100.00 3.01e-72 DBJ BAE37641 "unnamed protein product [Mus musculus]" 100.00 1030 100.00 100.00 5.59e-73 DBJ BAF85550 "unnamed protein product [Homo sapiens]" 100.00 1246 98.28 100.00 7.33e-71 GB AAH03374 "Jarid2 protein, partial [Mus musculus]" 100.00 624 100.00 100.00 6.25e-73 GB AAH46246 "Jumonji, AT rich interactive domain 2 [Homo sapiens]" 100.00 1246 98.28 100.00 7.33e-71 GB AAH52444 "Jumonji, AT rich interactive domain 2 [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 GB AAH60695 "Jumonji, AT rich interactive domain 2 [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 GB AAI15759 "Jarid2 protein, partial [Mus musculus]" 100.00 914 100.00 100.00 1.31e-72 REF NP_001191972 "protein Jumonji [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 REF NP_001191973 "protein Jumonji [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 REF NP_001253969 "protein Jumonji isoform 2 [Homo sapiens]" 100.00 1074 98.28 100.00 2.11e-71 REF NP_004964 "protein Jumonji isoform 1 [Homo sapiens]" 100.00 1246 98.28 100.00 7.33e-71 REF NP_068678 "protein Jumonji [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 SP Q62315 "RecName: Full=Protein Jumonji; AltName: Full=Jumonji/ARID domain-containing protein 2 [Mus musculus]" 100.00 1234 100.00 100.00 1.42e-71 SP Q92833 "RecName: Full=Protein Jumonji; AltName: Full=Jumonji/ARID domain-containing protein 2 [Homo sapiens]" 100.00 1246 98.28 100.00 7.33e-71 TPG DAA16223 "TPA: jumonji, AT rich interactive domain 2 [Bos taurus]" 100.00 1248 97.41 99.14 1.84e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $JMJ_ARID 'Mus musculus' 10090 Eukaryota Metazoa Mus musculus 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 $JMJ_ARID 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $JMJ_ARID 1 mM 0.3 1.6 '[U-13C; U-15N]' 'Sodium Phosphate' 22.5 mM . . . DTT 1.8 mM . . . NaCl 90 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_(H)CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH _Sample_label . save_ save_H(CCCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label . save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label . save_ save_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_17 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_15N-edited_NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _Sample_label . save_ save_13C-edited_NOESY-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.1 pH temperature 288 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $PIPP stop_ loop_ _Sample_label $Sample stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Jumonji _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 1 615 1 LEU H H 8.40 0.02 1 2 615 1 LEU HA H 4.33 0.02 1 3 615 1 LEU HB2 H 1.60 0.02 2 4 615 1 LEU HB3 H 1.68 0.02 2 5 615 1 LEU HG H 1.66 0.02 1 6 615 1 LEU HD1 H 0.91 0.02 2 7 615 1 LEU HD2 H 0.86 0.02 2 8 615 1 LEU C C 178.10 0.05 1 9 615 1 LEU CA C 55.66 0.3 1 10 615 1 LEU CB C 42.30 0.3 1 11 615 1 LEU CG C 27.00 0.3 1 12 615 1 LEU CD1 C 24.92 0.3 2 13 615 1 LEU CD2 C 23.35 0.3 2 14 615 1 LEU N N 123.74 0.1 1 15 616 2 GLY H H 8.40 0.02 1 16 616 2 GLY HA2 H 3.89 0.02 1 17 616 2 GLY HA3 H 3.89 0.02 1 18 616 2 GLY C C 174.20 0.05 1 19 616 2 GLY CA C 45.41 0.3 1 20 616 2 GLY N N 109.04 0.1 1 21 617 3 ARG H H 8.17 0.02 1 22 617 3 ARG HA H 4.28 0.02 1 23 617 3 ARG HB2 H 1.71 0.02 1 24 617 3 ARG HB3 H 1.71 0.02 1 25 617 3 ARG HG2 H 1.52 0.02 1 26 617 3 ARG HG3 H 1.52 0.02 1 27 617 3 ARG HD2 H 3.08 0.02 1 28 617 3 ARG HD3 H 3.08 0.02 1 29 617 3 ARG C C 176.34 0.05 1 30 617 3 ARG CA C 56.15 0.3 1 31 617 3 ARG CB C 30.65 0.3 1 32 617 3 ARG CG C 26.94 0.3 1 33 617 3 ARG CD C 43.23 0.3 1 34 617 3 ARG N N 120.71 0.1 1 35 618 4 ARG H H 8.40 0.02 1 36 618 4 ARG HA H 4.30 0.02 1 37 618 4 ARG HB2 H 1.75 0.02 1 38 618 4 ARG HB3 H 1.75 0.02 1 39 618 4 ARG HG2 H 1.52 0.02 2 40 618 4 ARG HG3 H 1.56 0.02 2 41 618 4 ARG HD2 H 3.14 0.02 1 42 618 4 ARG HD3 H 3.14 0.02 1 43 618 4 ARG C C 175.90 0.05 1 44 618 4 ARG CA C 56.21 0.3 1 45 618 4 ARG CB C 30.73 0.3 1 46 618 4 ARG CG C 27.08 0.3 1 47 618 4 ARG CD C 43.31 0.3 1 48 618 4 ARG N N 122.40 0.1 1 49 619 5 TRP H H 8.44 0.02 1 50 619 5 TRP HA H 4.66 0.02 1 51 619 5 TRP HB2 H 3.20 0.02 2 52 619 5 TRP HB3 H 3.26 0.02 2 53 619 5 TRP HD1 H 7.23 0.02 1 54 619 5 TRP HE1 H 10.30 0.02 1 55 619 5 TRP HZ2 H 7.37 0.02 1 56 619 5 TRP C C 175.98 0.05 1 57 619 5 TRP CA C 56.88 0.3 1 58 619 5 TRP CB C 30.78 0.3 1 59 619 5 TRP CD1 C 127.39 0.3 1 60 619 5 TRP CZ2 C 114.15 0.3 1 61 619 5 TRP N N 123.06 0.1 1 62 619 5 TRP NE1 N 129.52 0.1 1 63 620 6 GLY H H 7.66 0.02 1 64 620 6 GLY HA2 H 4.12 0.02 1 65 620 6 GLY HA3 H 4.12 0.02 1 66 620 6 GLY C C 171.82 0.05 1 67 620 6 GLY CA C 45.08 0.3 1 68 620 6 GLY N N 110.93 0.1 1 69 621 7 PRO HA H 4.28 0.02 1 70 621 7 PRO HB2 H 1.91 0.02 2 71 621 7 PRO HB3 H 2.23 0.02 2 72 621 7 PRO HG2 H 1.97 0.02 1 73 621 7 PRO HG3 H 1.97 0.02 1 74 621 7 PRO HD2 H 3.52 0.02 1 75 621 7 PRO HD3 H 3.52 0.02 1 76 621 7 PRO C C 178.62 0.05 1 77 621 7 PRO CA C 64.64 0.3 1 78 621 7 PRO CB C 32.28 0.3 1 79 621 7 PRO CG C 26.96 0.3 1 80 621 7 PRO CD C 49.41 0.3 1 81 622 8 ASN H H 8.73 0.02 1 82 622 8 ASN HA H 4.54 0.02 1 83 622 8 ASN HB2 H 2.80 0.02 1 84 622 8 ASN HB3 H 2.86 0.02 1 85 622 8 ASN HD21 H 7.33 0.02 2 86 622 8 ASN HD22 H 7.75 0.02 2 87 622 8 ASN C C 176.90 0.05 1 88 622 8 ASN CA C 55.58 0.3 1 89 622 8 ASN CB C 38.22 0.3 1 90 622 8 ASN N N 118.85 0.1 1 91 622 8 ASN ND2 N 115.46 0.1 1 92 623 9 VAL H H 7.70 0.02 1 93 623 9 VAL HA H 3.65 0.02 1 94 623 9 VAL HB H 1.86 0.02 1 95 623 9 VAL HG1 H 0.94 0.02 2 96 623 9 VAL HG2 H 0.78 0.02 2 97 623 9 VAL C C 178.00 0.05 1 98 623 9 VAL CA C 65.48 0.3 1 99 623 9 VAL CB C 32.21 0.3 1 100 623 9 VAL CG1 C 21.78 0.3 2 101 623 9 VAL CG2 C 21.33 0.3 2 102 623 9 VAL N N 121.81 0.1 1 103 624 10 GLN H H 8.01 0.02 1 104 624 10 GLN HA H 3.90 0.02 1 105 624 10 GLN HB2 H 1.89 0.02 1 106 624 10 GLN HB3 H 1.89 0.02 1 107 624 10 GLN HG2 H 2.22 0.02 2 108 624 10 GLN HG3 H 2.28 0.02 2 109 624 10 GLN HE21 H 6.87 0.02 2 110 624 10 GLN HE22 H 7.49 0.02 2 111 624 10 GLN C C 177.58 0.05 1 112 624 10 GLN CA C 58.86 0.3 1 113 624 10 GLN CB C 28.64 0.3 1 114 624 10 GLN CG C 33.82 0.3 1 115 624 10 GLN N N 120.82 0.1 1 116 624 10 GLN NE2 N 111.40 0.1 1 117 625 11 ARG H H 8.02 0.02 1 118 625 11 ARG HA H 4.01 0.02 1 119 625 11 ARG C C 178.31 0.05 1 120 625 11 ARG CA C 58.41 0.3 1 121 625 11 ARG N N 119.94 0.1 1 122 626 12 LEU H H 8.23 0.02 1 123 626 12 LEU HA H 3.89 0.02 1 124 626 12 LEU HB2 H 1.60 0.02 2 125 626 12 LEU HB3 H 1.89 0.02 2 126 626 12 LEU HD1 H 0.96 0.02 2 127 626 12 LEU C C 178.18 0.05 1 128 626 12 LEU CA C 57.84 0.3 1 129 626 12 LEU CB C 41.00 0.3 1 130 626 12 LEU CD1 C 23.27 0.3 2 131 626 12 LEU N N 118.74 0.1 1 132 627 13 ALA H H 7.89 0.02 1 133 627 13 ALA HA H 4.09 0.02 1 134 627 13 ALA HB H 1.61 0.02 1 135 627 13 ALA C C 181.49 0.05 1 136 627 13 ALA CA C 55.36 0.3 1 137 627 13 ALA CB C 18.27 0.3 1 138 627 13 ALA N N 120.50 0.1 1 139 628 14 CYS H H 8.05 0.02 1 140 628 14 CYS HA H 4.07 0.02 1 141 628 14 CYS HB2 H 3.08 0.02 2 142 628 14 CYS HB3 H 3.49 0.02 2 143 628 14 CYS C C 176.12 0.05 1 144 628 14 CYS CA C 64.47 0.3 1 145 628 14 CYS CB C 27.70 0.3 1 146 628 14 CYS N N 118.67 0.1 1 147 629 15 ILE H H 8.02 0.02 1 148 629 15 ILE HA H 2.92 0.02 1 149 629 15 ILE HB H 1.54 0.02 1 150 629 15 ILE HG12 H -0.92 0.02 2 151 629 15 ILE HG13 H 0.85 0.02 2 152 629 15 ILE HG2 H 0.58 0.02 1 153 629 15 ILE HD1 H 0.22 0.02 1 154 629 15 ILE C C 178.01 0.05 1 155 629 15 ILE CA C 66.17 0.3 1 156 629 15 ILE CB C 38.25 0.3 1 157 629 15 ILE CG1 C 27.61 0.3 1 158 629 15 ILE CG2 C 16.67 0.3 1 159 629 15 ILE CD1 C 14.28 0.3 1 160 629 15 ILE N N 121.52 0.1 1 161 630 16 LYS H H 8.79 0.02 1 162 630 16 LYS HA H 3.85 0.02 1 163 630 16 LYS HB2 H 1.86 0.02 1 164 630 16 LYS HB3 H 1.86 0.02 1 165 630 16 LYS HG2 H 1.69 0.02 1 166 630 16 LYS HG3 H 1.69 0.02 1 167 630 16 LYS HD2 H 1.30 0.02 1 168 630 16 LYS HD3 H 1.30 0.02 1 169 630 16 LYS HE2 H 2.83 0.02 2 170 630 16 LYS HE3 H 2.92 0.02 2 171 630 16 LYS C C 179.23 0.05 1 172 630 16 LYS CA C 61.05 0.3 1 173 630 16 LYS CB C 32.73 0.3 1 174 630 16 LYS CG C 30.04 0.3 1 175 630 16 LYS CD C 26.55 0.3 1 176 630 16 LYS CE C 42.01 0.3 1 177 630 16 LYS N N 117.75 0.1 1 178 631 17 LYS H H 8.02 0.02 1 179 631 17 LYS HA H 4.11 0.02 1 180 631 17 LYS HB2 H 1.91 0.02 2 181 631 17 LYS HB3 H 2.00 0.02 2 182 631 17 LYS HD2 H 1.50 0.02 1 183 631 17 LYS HD3 H 1.50 0.02 1 184 631 17 LYS HE2 H 2.99 0.02 1 185 631 17 LYS HE3 H 2.99 0.02 1 186 631 17 LYS C C 179.11 0.05 1 187 631 17 LYS CA C 59.35 0.3 1 188 631 17 LYS CB C 31.95 0.3 1 189 631 17 LYS CD C 24.62 0.3 1 190 631 17 LYS CE C 42.19 0.3 1 191 631 17 LYS N N 120.84 0.1 1 192 632 18 HIS H H 8.55 0.02 1 193 632 18 HIS HA H 4.40 0.02 1 194 632 18 HIS HB2 H 3.33 0.02 2 195 632 18 HIS HB3 H 3.43 0.02 2 196 632 18 HIS C C 179.07 0.05 1 197 632 18 HIS CA C 60.24 0.3 1 198 632 18 HIS CB C 30.25 0.3 1 199 632 18 HIS N N 120.88 0.1 1 200 633 19 LEU H H 8.97 0.02 1 201 633 19 LEU HA H 3.80 0.02 1 202 633 19 LEU HB2 H 1.53 0.02 2 203 633 19 LEU HB3 H 1.96 0.02 2 204 633 19 LEU HG H 1.03 0.02 1 205 633 19 LEU HD1 H 1.13 0.02 2 206 633 19 LEU HD2 H 0.94 0.02 2 207 633 19 LEU C C 179.78 0.05 1 208 633 19 LEU CA C 58.46 0.3 1 209 633 19 LEU CB C 40.76 0.3 1 210 633 19 LEU CG C 27.08 0.3 1 211 633 19 LEU CD1 C 22.76 0.3 2 212 633 19 LEU N N 120.49 0.1 1 213 634 20 ARG H H 8.32 0.02 1 214 634 20 ARG HA H 4.08 0.02 1 215 634 20 ARG HB2 H 2.01 0.02 1 216 634 20 ARG HB3 H 2.01 0.02 1 217 634 20 ARG HG2 H 1.70 0.02 2 218 634 20 ARG HG3 H 1.80 0.02 2 219 634 20 ARG HD2 H 3.22 0.02 1 220 634 20 ARG HD3 H 3.22 0.02 1 221 634 20 ARG C C 181.08 0.05 1 222 634 20 ARG CA C 59.44 0.3 1 223 634 20 ARG CB C 29.84 0.3 1 224 634 20 ARG CG C 27.47 0.3 1 225 634 20 ARG CD C 43.51 0.3 1 226 634 20 ARG N N 120.81 0.1 1 227 635 21 SER H H 7.92 0.02 1 228 635 21 SER HA H 4.33 0.02 1 229 635 21 SER HB2 H 4.08 0.02 1 230 635 21 SER HB3 H 4.08 0.02 1 231 635 21 SER C C 174.85 0.05 1 232 635 21 SER CA C 61.57 0.3 1 233 635 21 SER CB C 63.09 0.3 1 234 635 21 SER N N 117.56 0.1 1 235 636 22 GLN H H 7.47 0.02 1 236 636 22 GLN HA H 4.37 0.02 1 237 636 22 GLN HB2 H 2.34 0.02 1 238 636 22 GLN HB3 H 2.34 0.02 1 239 636 22 GLN HG2 H 1.97 0.02 2 240 636 22 GLN HG3 H 2.33 0.02 2 241 636 22 GLN HE21 H 6.76 0.02 2 242 636 22 GLN HE22 H 6.95 0.02 2 243 636 22 GLN C C 175.95 0.05 1 244 636 22 GLN CA C 54.61 0.3 1 245 636 22 GLN CB C 29.58 0.3 1 246 636 22 GLN CG C 33.44 0.3 1 247 636 22 GLN N N 119.19 0.1 1 248 636 22 GLN NE2 N 113.15 0.1 1 249 637 23 GLY H H 7.86 0.02 1 250 637 23 GLY HA2 H 3.76 0.02 2 251 637 23 GLY HA3 H 4.15 0.02 2 252 637 23 GLY C C 174.13 0.05 1 253 637 23 GLY CA C 45.73 0.3 1 254 637 23 GLY N N 107.54 0.1 1 255 638 24 ILE H H 7.97 0.02 1 256 638 24 ILE HA H 4.25 0.02 1 257 638 24 ILE HB H 1.70 0.02 1 258 638 24 ILE HG12 H 1.03 0.02 2 259 638 24 ILE HG13 H 1.40 0.02 2 260 638 24 ILE HG2 H 0.93 0.02 1 261 638 24 ILE HD1 H 0.86 0.02 1 262 638 24 ILE C C 175.22 0.05 1 263 638 24 ILE CA C 60.45 0.3 1 264 638 24 ILE CB C 39.11 0.3 1 265 638 24 ILE CG1 C 27.23 0.3 1 266 638 24 ILE CG2 C 17.27 0.3 1 267 638 24 ILE CD1 C 13.43 0.3 1 268 638 24 ILE N N 123.01 0.1 1 269 639 25 THR H H 8.62 0.02 1 270 639 25 THR HA H 4.17 0.02 1 271 639 25 THR HB H 4.16 0.02 1 272 639 25 THR HG2 H 1.16 0.02 1 273 639 25 THR C C 173.84 0.05 1 274 639 25 THR CA C 61.68 0.3 1 275 639 25 THR CB C 69.92 0.3 1 276 639 25 THR CG2 C 21.67 0.3 1 277 639 25 THR N N 121.94 0.1 1 278 640 26 MET H H 8.60 0.02 1 279 640 26 MET HA H 4.52 0.02 1 280 640 26 MET HB2 H 1.77 0.02 2 281 640 26 MET HB3 H 2.11 0.02 2 282 640 26 MET HG2 H 2.23 0.02 2 283 640 26 MET HG3 H 2.34 0.02 2 284 640 26 MET HE H 1.71 0.02 1 285 640 26 MET C C 174.57 0.05 1 286 640 26 MET CA C 54.79 0.3 1 287 640 26 MET CB C 33.04 0.3 1 288 640 26 MET CG C 31.85 0.3 1 289 640 26 MET CE C 17.02 0.3 1 290 640 26 MET N N 125.02 0.1 1 291 641 27 ASP H H 8.49 0.02 1 292 641 27 ASP HA H 4.52 0.02 1 293 641 27 ASP HB2 H 2.52 0.02 2 294 641 27 ASP HB3 H 2.71 0.02 2 295 641 27 ASP C C 175.90 0.05 1 296 641 27 ASP CA C 56.02 0.3 1 297 641 27 ASP CB C 41.26 0.3 1 298 641 27 ASP N N 123.44 0.1 1 299 642 28 GLU H H 7.84 0.02 1 300 642 28 GLU HA H 4.42 0.02 1 301 642 28 GLU HB2 H 1.82 0.02 2 302 642 28 GLU HB3 H 2.08 0.02 2 303 642 28 GLU HG2 H 2.17 0.02 1 304 642 28 GLU HG3 H 2.17 0.02 1 305 642 28 GLU C C 175.11 0.05 1 306 642 28 GLU CA C 54.75 0.3 1 307 642 28 GLU CB C 31.09 0.3 1 308 642 28 GLU CG C 35.91 0.3 1 309 642 28 GLU N N 117.68 0.1 1 310 643 29 LEU H H 8.34 0.02 1 311 643 29 LEU HA H 4.35 0.02 1 312 643 29 LEU HB2 H 1.51 0.02 1 313 643 29 LEU HB3 H 1.51 0.02 1 314 643 29 LEU HD1 H 0.86 0.02 2 315 643 29 LEU HD2 H 0.92 0.02 2 316 643 29 LEU C C 174.91 0.05 1 317 643 29 LEU CA C 53.54 0.3 1 318 643 29 LEU CB C 40.55 0.3 1 319 643 29 LEU CD1 C 25.46 0.3 2 320 643 29 LEU CD2 C 23.32 0.3 2 321 643 29 LEU N N 123.33 0.1 1 322 644 30 PRO HA H 4.41 0.02 1 323 644 30 PRO HB2 H 1.78 0.02 1 324 644 30 PRO HB3 H 1.78 0.02 1 325 644 30 PRO HG2 H 1.63 0.02 1 326 644 30 PRO HG3 H 1.63 0.02 1 327 644 30 PRO HD2 H 3.56 0.02 2 328 644 30 PRO HD3 H 3.67 0.02 2 329 644 30 PRO C C 174.59 0.05 1 330 644 30 PRO CA C 62.60 0.3 1 331 644 30 PRO CB C 31.79 0.3 1 332 644 30 PRO CG C 27.75 0.3 1 333 644 30 PRO CD C 49.95 0.3 1 334 645 31 LEU H H 8.22 0.02 1 335 645 31 LEU HA H 4.94 0.02 1 336 645 31 LEU HB2 H 0.98 0.02 2 337 645 31 LEU HB3 H 1.63 0.02 2 338 645 31 LEU HG H 1.54 0.02 1 339 645 31 LEU HD1 H 0.79 0.02 2 340 645 31 LEU HD2 H 0.60 0.02 2 341 645 31 LEU C C 178.34 0.05 1 342 645 31 LEU CA C 53.63 0.3 1 343 645 31 LEU CB C 45.14 0.3 1 344 645 31 LEU CG C 27.28 0.3 1 345 645 31 LEU CD1 C 25.52 0.3 2 346 645 31 LEU CD2 C 23.73 0.3 2 347 645 31 LEU N N 119.53 0.1 1 348 646 32 ILE H H 8.80 0.02 1 349 646 32 ILE HA H 4.19 0.02 1 350 646 32 ILE HB H 1.66 0.02 1 351 646 32 ILE HG12 H 1.00 0.02 2 352 646 32 ILE HG13 H 1.43 0.02 2 353 646 32 ILE HG2 H 0.73 0.02 1 354 646 32 ILE HD1 H 0.710 0.02 1 355 646 32 ILE C C 176.68 0.05 1 356 646 32 ILE CA C 61.12 0.3 1 357 646 32 ILE CB C 39.99 0.3 1 358 646 32 ILE CG1 C 27.02 0.3 1 359 646 32 ILE CG2 C 17.63 0.3 1 360 646 32 ILE CD1 C 13.85 0.3 1 361 646 32 ILE N N 121.00 0.1 1 362 647 33 GLY H H 9.44 0.02 1 363 647 33 GLY HA2 H 3.63 0.02 2 364 647 33 GLY HA3 H 3.97 0.02 2 365 647 33 GLY C C 175.39 0.05 1 366 647 33 GLY CA C 47.56 0.3 1 367 647 33 GLY N N 117.70 0.1 1 368 648 34 GLY H H 8.51 0.02 1 369 648 34 GLY HA2 H 3.54 0.02 2 370 648 34 GLY HA3 H 4.18 0.02 2 371 648 34 GLY C C 173.10 0.05 1 372 648 34 GLY CA C 45.00 0.3 1 373 648 34 GLY N N 104.17 0.1 1 374 649 35 CYS H H 7.69 0.02 1 375 649 35 CYS HA H 4.65 0.02 1 376 649 35 CYS HB2 H 2.80 0.02 2 377 649 35 CYS HB3 H 3.08 0.02 2 378 649 35 CYS C C 173.60 0.05 1 379 649 35 CYS CA C 57.55 0.3 1 380 649 35 CYS CB C 29.40 0.3 1 381 649 35 CYS N N 120.24 0.1 1 382 650 36 GLU H H 8.89 0.02 1 383 650 36 GLU HA H 4.20 0.02 1 384 650 36 GLU HB2 H 1.82 0.02 2 385 650 36 GLU HB3 H 1.88 0.02 2 386 650 36 GLU HG2 H 2.02 0.02 2 387 650 36 GLU HG3 H 2.17 0.02 2 388 650 36 GLU C C 175.92 0.05 1 389 650 36 GLU CA C 57.35 0.3 1 390 650 36 GLU CB C 30.58 0.3 1 391 650 36 GLU CG C 37.37 0.3 1 392 650 36 GLU N N 126.13 0.1 1 393 651 37 LEU H H 8.82 0.02 1 394 651 37 LEU HA H 4.25 0.02 1 395 651 37 LEU HB2 H 1.01 0.02 2 396 651 37 LEU HB3 H 1.78 0.02 2 397 651 37 LEU HG H 1.22 0.02 1 398 651 37 LEU HD1 H 0.73 0.02 2 399 651 37 LEU HD2 H 0.61 0.02 2 400 651 37 LEU C C 173.86 0.05 1 401 651 37 LEU CA C 53.69 0.3 1 402 651 37 LEU CB C 43.12 0.3 1 403 651 37 LEU CG C 27.50 0.3 1 404 651 37 LEU CD1 C 26.30 0.3 2 405 651 37 LEU CD2 C 23.73 0.3 2 406 651 37 LEU N N 128.00 0.1 1 407 652 38 ASP H H 8.47 0.02 1 408 652 38 ASP HA H 4.59 0.02 1 409 652 38 ASP HB2 H 2.59 0.02 2 410 652 38 ASP HB3 H 2.94 0.02 2 411 652 38 ASP C C 176.86 0.05 1 412 652 38 ASP CA C 52.98 0.3 1 413 652 38 ASP CB C 40.21 0.3 1 414 652 38 ASP N N 125.75 0.1 1 415 653 39 LEU H H 7.83 0.02 1 416 653 39 LEU HA H 4.10 0.02 1 417 653 39 LEU HB2 H 1.38 0.02 1 418 653 39 LEU HB3 H 1.38 0.02 1 419 653 39 LEU HG H 1.70 0.02 1 420 653 39 LEU HD1 H 0.68 0.02 2 421 653 39 LEU HD2 H 0.83 0.02 2 422 653 39 LEU C C 177.99 0.05 1 423 653 39 LEU CA C 57.96 0.3 1 424 653 39 LEU CB C 43.27 0.3 1 425 653 39 LEU CG C 26.86 0.3 1 426 653 39 LEU CD1 C 25.86 0.3 2 427 653 39 LEU CD2 C 22.79 0.3 2 428 653 39 LEU N N 125.86 0.1 1 429 654 40 ALA H H 8.24 0.02 1 430 654 40 ALA HA H 3.97 0.02 1 431 654 40 ALA HB H 1.50 0.02 1 432 654 40 ALA C C 179.87 0.05 1 433 654 40 ALA CA C 55.69 0.3 1 434 654 40 ALA CB C 18.97 0.3 1 435 654 40 ALA N N 119.81 0.1 1 436 655 41 CYS H H 8.08 0.02 1 437 655 41 CYS HA H 4.14 0.02 1 438 655 41 CYS HB2 H 2.79 0.02 2 439 655 41 CYS HB3 H 2.92 0.02 2 440 655 41 CYS C C 176.17 0.05 1 441 655 41 CYS CA C 62.18 0.3 1 442 655 41 CYS CB C 26.55 0.3 1 443 655 41 CYS N N 121.27 0.1 1 444 656 42 PHE H H 8.68 0.02 1 445 656 42 PHE HA H 4.52 0.02 1 446 656 42 PHE HB2 H 3.30 0.02 2 447 656 42 PHE HB3 H 3.59 0.02 2 448 656 42 PHE HD1 H 7.33 0.02 1 449 656 42 PHE HD2 H 7.33 0.02 1 450 656 42 PHE C C 176.01 0.05 1 451 656 42 PHE CA C 57.92 0.3 1 452 656 42 PHE CB C 38.84 0.3 1 453 656 42 PHE CD1 C 130.62 0.3 1 454 656 42 PHE CD2 C 130.62 0.3 1 455 656 42 PHE N N 119.50 0.1 1 456 657 43 PHE H H 8.39 0.02 1 457 657 43 PHE HA H 3.88 0.02 1 458 657 43 PHE HB2 H 3.20 0.02 2 459 657 43 PHE HB3 H 3.27 0.02 2 460 657 43 PHE HD1 H 7.14 0.02 1 461 657 43 PHE HD2 H 7.14 0.02 1 462 657 43 PHE HE1 H 7.46 0.02 1 463 657 43 PHE HE2 H 7.46 0.02 1 464 657 43 PHE C C 176.48 0.05 1 465 657 43 PHE CA C 61.96 0.3 1 466 657 43 PHE CB C 39.36 0.3 1 467 657 43 PHE CD1 C 130.80 0.3 1 468 657 43 PHE CD2 C 130.80 0.3 1 469 657 43 PHE CE1 C 132.46 0.3 1 470 657 43 PHE CE2 C 132.46 0.3 1 471 657 43 PHE N N 117.34 0.1 1 472 658 44 ARG H H 8.02 0.02 1 473 658 44 ARG HA H 3.83 0.02 1 474 658 44 ARG HB2 H 2.01 0.02 1 475 658 44 ARG HB3 H 2.01 0.02 1 476 658 44 ARG C C 179.04 0.05 1 477 658 44 ARG CA C 59.45 0.3 1 478 658 44 ARG CB C 29.93 0.3 1 479 658 44 ARG N N 119.83 0.1 1 480 659 45 LEU H H 8.87 0.02 1 481 659 45 LEU HA H 3.94 0.02 1 482 659 45 LEU HB2 H 1.25 0.02 2 483 659 45 LEU HB3 H 1.91 0.02 2 484 659 45 LEU HD1 H 0.83 0.02 2 485 659 45 LEU HD2 H 0.76 0.02 2 486 659 45 LEU C C 179.21 0.05 1 487 659 45 LEU CA C 57.98 0.3 1 488 659 45 LEU CB C 43.02 0.3 1 489 659 45 LEU CD1 C 26.85 0.3 2 490 659 45 LEU N N 119.07 0.1 1 491 660 46 ILE H H 8.41 0.02 1 492 660 46 ILE HA H 3.39 0.02 1 493 660 46 ILE HB H 1.65 0.02 1 494 660 46 ILE HG12 H 0.64 0.02 2 495 660 46 ILE HG13 H 1.20 0.02 2 496 660 46 ILE HG2 H 0.67 0.02 1 497 660 46 ILE HD1 H 0.20 0.02 1 498 660 46 ILE C C 177.24 0.05 1 499 660 46 ILE CA C 65.18 0.3 1 500 660 46 ILE CB C 37.42 0.3 1 501 660 46 ILE CG1 C 29.70 0.3 1 502 660 46 ILE CG2 C 16.68 0.3 1 503 660 46 ILE CD1 C 14.22 0.3 1 504 660 46 ILE N N 117.99 0.1 1 505 661 47 ASN H H 6.94 0.02 1 506 661 47 ASN HA H 4.22 0.02 1 507 661 47 ASN HB2 H 2.38 0.02 2 508 661 47 ASN HB3 H 2.44 0.02 2 509 661 47 ASN C C 178.86 0.05 1 510 661 47 ASN CA C 57.27 0.3 1 511 661 47 ASN CB C 39.10 0.3 1 512 661 47 ASN N N 117.55 0.1 1 513 662 48 GLU H H 8.73 0.02 1 514 662 48 GLU HA H 4.01 0.02 1 515 662 48 GLU HB2 H 2.02 0.02 2 516 662 48 GLU HB3 H 2.12 0.02 2 517 662 48 GLU HG2 H 2.25 0.02 2 518 662 48 GLU HG3 H 2.44 0.02 2 519 662 48 GLU C C 178.74 0.05 1 520 662 48 GLU CA C 59.81 0.3 1 521 662 48 GLU CB C 29.62 0.3 1 522 662 48 GLU CG C 36.80 0.3 1 523 662 48 GLU N N 124.46 0.1 1 524 663 49 MET H H 7.59 0.02 1 525 663 49 MET HA H 4.21 0.02 1 526 663 49 MET HG2 H 2.69 0.02 1 527 663 49 MET HG3 H 2.69 0.02 1 528 663 49 MET HE H 1.92 0.02 1 529 663 49 MET C C 174.75 0.05 1 530 663 49 MET CA C 56.46 0.3 1 531 663 49 MET CB C 32.66 0.3 1 532 663 49 MET CG C 33.24 0.3 1 533 663 49 MET CE C 17.99 0.3 1 534 663 49 MET N N 115.74 0.1 1 535 664 50 GLY H H 7.31 0.02 1 536 664 50 GLY HA2 H 3.60 0.02 2 537 664 50 GLY HA3 H 4.34 0.02 2 538 664 50 GLY C C 174.85 0.05 1 539 664 50 GLY CA C 44.73 0.3 1 540 664 50 GLY N N 104.54 0.1 1 541 665 51 GLY H H 8.27 0.02 1 542 665 51 GLY HA2 H 3.45 0.02 2 543 665 51 GLY HA3 H 4.45 0.02 2 544 665 51 GLY C C 172.84 0.05 1 545 665 51 GLY CA C 43.62 0.3 1 546 665 51 GLY N N 110.18 0.1 1 547 666 52 MET H H 8.64 0.02 1 548 666 52 MET HA H 3.35 0.02 1 549 666 52 MET HB2 H 1.64 0.02 2 550 666 52 MET HB3 H 1.89 0.02 2 551 666 52 MET HG2 H 2.10 0.02 2 552 666 52 MET HG3 H 2.28 0.02 2 553 666 52 MET HE H 1.87 0.02 1 554 666 52 MET C C 177.63 0.05 1 555 666 52 MET CA C 59.85 0.3 1 556 666 52 MET CG C 31.15 0.3 1 557 666 52 MET CE C 16.96 0.3 1 558 666 52 MET N N 118.98 0.1 1 559 667 53 GLN H H 8.80 0.02 1 560 667 53 GLN HA H 3.86 0.02 1 561 667 53 GLN HG2 H 2.38 0.02 2 562 667 53 GLN HG3 H 2.44 0.02 2 563 667 53 GLN CA C 59.22 0.3 1 564 667 53 GLN CG C 33.81 0.3 1 565 667 53 GLN N N 120.35 0.1 1 566 668 54 GLN HA H 4.08 0.02 1 567 668 54 GLN HB2 H 1.91 0.02 1 568 668 54 GLN HB3 H 1.91 0.02 1 569 668 54 GLN HG2 H 2.30 0.02 2 570 668 54 GLN HG3 H 2.42 0.02 2 571 668 54 GLN HE21 H 6.90 0.02 2 572 668 54 GLN HE22 H 7.56 0.02 2 573 668 54 GLN CB C 28.88 0.3 1 574 668 54 GLN CG C 34.70 0.3 1 575 668 54 GLN NE2 N 112.46 0.1 1 576 669 55 VAL H H 8.05 0.02 1 577 669 55 VAL HA H 3.05 0.02 1 578 669 55 VAL HB H 1.52 0.02 1 579 669 55 VAL HG1 H -0.75 0.02 2 580 669 55 VAL HG2 H 0.55 0.02 2 581 669 55 VAL C C 177.75 0.05 1 582 669 55 VAL CA C 66.82 0.3 1 583 669 55 VAL CB C 31.51 0.3 1 584 669 55 VAL CG1 C 18.58 0.3 2 585 669 55 VAL CG2 C 24.52 0.3 2 586 669 55 VAL N N 119.86 0.1 1 587 670 56 THR H H 8.06 0.02 1 588 670 56 THR HA H 4.22 0.02 1 589 670 56 THR HB H 4.47 0.02 1 590 670 56 THR HG2 H 1.40 0.02 1 591 670 56 THR C C 177.95 0.05 1 592 670 56 THR CA C 66.97 0.3 1 593 670 56 THR CB C 69.44 0.3 1 594 670 56 THR CG2 C 21.37 0.3 1 595 670 56 THR N N 115.44 0.1 1 596 671 57 ASP H H 9.32 0.02 1 597 671 57 ASP HA H 4.38 0.02 1 598 671 57 ASP HB2 H 2.73 0.02 1 599 671 57 ASP HB3 H 2.73 0.02 1 600 671 57 ASP C C 178.19 0.05 1 601 671 57 ASP CA C 57.92 0.3 1 602 671 57 ASP CB C 39.97 0.3 1 603 671 57 ASP N N 125.60 0.1 1 604 672 58 LEU H H 8.36 0.02 1 605 672 58 LEU C C 175.85 0.05 1 606 672 58 LEU N N 116.46 0.1 1 607 673 59 LYS H H 7.75 0.02 1 608 673 59 LYS HA H 4.24 0.02 1 609 673 59 LYS C C 177.66 0.05 1 610 673 59 LYS CA C 57.37 0.3 1 611 673 59 LYS N N 117.42 0.1 1 612 674 60 LYS H H 8.97 0.02 1 613 674 60 LYS HA H 4.74 0.02 1 614 674 60 LYS C C 176.46 0.05 1 615 674 60 LYS CA C 55.38 0.3 1 616 674 60 LYS CB C 33.54 0.3 1 617 674 60 LYS N N 116.71 0.1 1 618 675 61 TRP H H 7.76 0.02 1 619 675 61 TRP HA H 3.91 0.02 1 620 675 61 TRP HB2 H 3.21 0.02 2 621 675 61 TRP HB3 H 3.35 0.02 2 622 675 61 TRP HD1 H 7.54 0.02 1 623 675 61 TRP HE1 H 10.22 0.02 1 624 675 61 TRP HZ2 H 7.24 0.02 1 625 675 61 TRP C C 177.56 0.05 1 626 675 61 TRP CA C 61.73 0.3 1 627 675 61 TRP CB C 29.14 0.3 1 628 675 61 TRP CD1 C 126.66 0.3 1 629 675 61 TRP CZ2 C 114.77 0.3 1 630 675 61 TRP N N 119.53 0.1 1 631 675 61 TRP NE1 N 130.09 0.1 1 632 676 62 ASN H H 8.68 0.02 1 633 676 62 ASN HA H 4.31 0.02 1 634 676 62 ASN HB2 H 2.81 0.02 2 635 676 62 ASN HB3 H 2.89 0.02 2 636 676 62 ASN HD21 H 7.15 0.02 2 637 676 62 ASN HD22 H 7.76 0.02 2 638 676 62 ASN C C 176.20 0.05 1 639 676 62 ASN CA C 57.28 0.3 1 640 676 62 ASN CB C 37.96 0.3 1 641 676 62 ASN N N 117.26 0.1 1 642 676 62 ASN ND2 N 115.30 0.1 1 643 677 63 LYS H H 7.61 0.02 1 644 677 63 LYS HA H 4.10 0.02 1 645 677 63 LYS HB2 H 1.92 0.02 1 646 677 63 LYS HB3 H 1.92 0.02 1 647 677 63 LYS HE2 H 3.00 0.02 1 648 677 63 LYS HE3 H 3.00 0.02 1 649 677 63 LYS C C 178.77 0.05 1 650 677 63 LYS CA C 58.74 0.3 1 651 677 63 LYS CB C 31.98 0.3 1 652 677 63 LYS CG C 29.52 0.3 1 653 677 63 LYS CD C 25.03 0.3 1 654 677 63 LYS N N 120.53 0.1 1 655 678 64 LEU H H 7.87 0.02 1 656 678 64 LEU HA H 3.89 0.02 1 657 678 64 LEU HB2 H 1.46 0.02 2 658 678 64 LEU HB3 H 1.75 0.02 2 659 678 64 LEU HG H 1.52 0.02 1 660 678 64 LEU HD1 H 0.64 0.02 2 661 678 64 LEU HD2 H 0.78 0.02 2 662 678 64 LEU C C 177.76 0.05 1 663 678 64 LEU CA C 58.55 0.3 1 664 678 64 LEU CB C 42.01 0.3 1 665 678 64 LEU CG C 27.58 0.3 1 666 678 64 LEU CD1 C 25.95 0.3 2 667 678 64 LEU CD2 C 26.37 0.3 2 668 678 64 LEU N N 120.08 0.1 1 669 679 65 ALA H H 8.45 0.02 1 670 679 65 ALA HA H 3.72 0.02 1 671 679 65 ALA HB H 1.27 0.02 1 672 679 65 ALA C C 178.99 0.05 1 673 679 65 ALA CA C 55.70 0.3 1 674 679 65 ALA CB C 17.53 0.3 1 675 679 65 ALA N N 120.05 0.1 1 676 680 66 ASP H H 8.19 0.02 1 677 680 66 ASP HA H 4.37 0.02 1 678 680 66 ASP HB2 H 2.66 0.02 2 679 680 66 ASP HB3 H 2.94 0.02 2 680 680 66 ASP C C 181.36 0.05 1 681 680 66 ASP CA C 57.62 0.3 1 682 680 66 ASP CB C 39.57 0.3 1 683 680 66 ASP N N 117.46 0.1 1 684 681 67 MET H H 8.48 0.02 1 685 681 67 MET HA H 4.14 0.02 1 686 681 67 MET HB2 H 2.07 0.02 1 687 681 67 MET HB3 H 2.07 0.02 1 688 681 67 MET HG2 H 2.53 0.02 2 689 681 67 MET HG3 H 2.87 0.02 2 690 681 67 MET HE H 2.06 0.02 1 691 681 67 MET C C 178.48 0.05 1 692 681 67 MET CA C 58.91 0.3 1 693 681 67 MET CB C 33.42 0.3 1 694 681 67 MET CG C 32.69 0.3 1 695 681 67 MET CE C 17.26 0.3 1 696 681 67 MET N N 123.12 0.1 1 697 682 68 LEU H H 7.73 0.02 1 698 682 68 LEU HA H 4.17 0.02 1 699 682 68 LEU HB2 H 1.58 0.02 1 700 682 68 LEU HB3 H 1.58 0.02 1 701 682 68 LEU HG H 1.65 0.02 1 702 682 68 LEU HD1 H 0.44 0.02 2 703 682 68 LEU HD2 H 0.82 0.02 2 704 682 68 LEU C C 174.91 0.05 1 705 682 68 LEU CA C 55.20 0.3 1 706 682 68 LEU CB C 42.18 0.3 1 707 682 68 LEU CG C 26.60 0.3 1 708 682 68 LEU CD1 C 27.10 0.3 2 709 682 68 LEU CD2 C 23.21 0.3 2 710 682 68 LEU N N 119.16 0.1 1 711 683 69 ARG H H 7.81 0.02 1 712 683 69 ARG HA H 3.79 0.02 1 713 683 69 ARG HB2 H 1.95 0.02 2 714 683 69 ARG HB3 H 2.19 0.02 2 715 683 69 ARG HG2 H 1.54 0.02 1 716 683 69 ARG HG3 H 1.54 0.02 1 717 683 69 ARG HD2 H 3.24 0.02 1 718 683 69 ARG HD3 H 3.24 0.02 1 719 683 69 ARG C C 175.68 0.05 1 720 683 69 ARG CA C 56.82 0.3 1 721 683 69 ARG CB C 26.07 0.3 1 722 683 69 ARG CG C 27.63 0.3 1 723 683 69 ARG CD C 43.38 0.3 1 724 683 69 ARG N N 112.76 0.1 1 725 684 70 ILE H H 7.81 0.02 1 726 684 70 ILE HA H 4.32 0.02 1 727 684 70 ILE HB H 1.67 0.02 1 728 684 70 ILE HG12 H 1.37 0.02 1 729 684 70 ILE HG13 H 1.37 0.02 1 730 684 70 ILE HG2 H 0.87 0.02 1 731 684 70 ILE HD1 H 0.70 0.02 1 732 684 70 ILE C C 175.70 0.05 1 733 684 70 ILE CA C 58.15 0.3 1 734 684 70 ILE CB C 37.51 0.3 1 735 684 70 ILE CG1 C 27.37 0.3 1 736 684 70 ILE CG2 C 17.88 0.3 1 737 684 70 ILE CD1 C 11.80 0.3 1 738 684 70 ILE N N 120.24 0.1 1 739 685 71 PRO HA H 4.36 0.02 1 740 685 71 PRO HB2 H 1.90 0.02 2 741 685 71 PRO HB3 H 2.40 0.02 2 742 685 71 PRO HG2 H 2.10 0.02 2 743 685 71 PRO HG3 H 2.25 0.02 2 744 685 71 PRO HD2 H 3.60 0.02 2 745 685 71 PRO HD3 H 4.25 0.02 2 746 685 71 PRO C C 177.88 0.05 1 747 685 71 PRO CA C 64.05 0.3 1 748 685 71 PRO CB C 32.84 0.3 1 749 685 71 PRO CG C 27.98 0.3 1 750 685 71 PRO CD C 51.66 0.3 1 751 686 72 LYS H H 8.97 0.02 1 752 686 72 LYS HA H 3.78 0.02 1 753 686 72 LYS HB2 H 1.79 0.02 2 754 686 72 LYS HB3 H 1.91 0.02 2 755 686 72 LYS HG2 H 1.69 0.02 1 756 686 72 LYS HG3 H 1.69 0.02 1 757 686 72 LYS HD2 H 1.47 0.02 2 758 686 72 LYS HD3 H 1.56 0.02 2 759 686 72 LYS HE2 H 3.01 0.02 1 760 686 72 LYS HE3 H 3.01 0.02 1 761 686 72 LYS C C 177.09 0.05 1 762 686 72 LYS CA C 58.92 0.3 1 763 686 72 LYS CB C 32.58 0.3 1 764 686 72 LYS CG C 29.53 0.3 1 765 686 72 LYS CD C 25.61 0.3 1 766 686 72 LYS CE C 42.10 0.3 1 767 686 72 LYS N N 123.29 0.1 1 768 687 73 THR H H 7.29 0.02 1 769 687 73 THR HA H 4.12 0.02 1 770 687 73 THR HB H 4.47 0.02 1 771 687 73 THR HG2 H 1.21 0.02 1 772 687 73 THR C C 174.66 0.05 1 773 687 73 THR CA C 61.39 0.3 1 774 687 73 THR CB C 69.06 0.3 1 775 687 73 THR CG2 C 21.90 0.3 1 776 687 73 THR N N 104.84 0.1 1 777 688 74 ALA H H 7.26 0.02 1 778 688 74 ALA HA H 4.35 0.02 1 779 688 74 ALA HB H 1.27 0.02 1 780 688 74 ALA C C 177.19 0.05 1 781 688 74 ALA CA C 52.06 0.3 1 782 688 74 ALA CB C 17.89 0.3 1 783 688 74 ALA N N 124.61 0.1 1 784 689 75 GLN H H 8.72 0.02 1 785 689 75 GLN HA H 4.01 0.02 1 786 689 75 GLN HB2 H 2.02 0.02 1 787 689 75 GLN HB3 H 2.02 0.02 1 788 689 75 GLN HG2 H 2.41 0.02 1 789 689 75 GLN HG3 H 2.41 0.02 1 790 689 75 GLN HE21 H 6.93 0.02 2 791 689 75 GLN HE22 H 7.61 0.02 2 792 689 75 GLN C C 176.53 0.05 1 793 689 75 GLN CA C 57.62 0.3 1 794 689 75 GLN CB C 28.64 0.3 1 795 689 75 GLN CG C 33.80 0.3 1 796 689 75 GLN N N 126.10 0.1 1 797 689 75 GLN NE2 N 112.99 0.1 1 798 690 76 ASP H H 8.98 0.02 1 799 690 76 ASP HA H 4.53 0.02 1 800 690 76 ASP HB2 H 2.75 0.02 2 801 690 76 ASP HB3 H 2.83 0.02 2 802 690 76 ASP C C 176.43 0.05 1 803 690 76 ASP CA C 54.22 0.3 1 804 690 76 ASP CB C 40.06 0.3 1 805 690 76 ASP N N 120.78 0.1 1 806 691 77 ARG H H 7.29 0.02 1 807 691 77 ARG HA H 3.57 0.02 1 808 691 77 ARG HB2 H 1.90 0.02 1 809 691 77 ARG HB3 H 1.90 0.02 1 810 691 77 ARG HG2 H 1.73 0.02 1 811 691 77 ARG HG3 H 1.73 0.02 1 812 691 77 ARG HD2 H 3.40 0.02 1 813 691 77 ARG HD3 H 3.40 0.02 1 814 691 77 ARG C C 176.36 0.05 1 815 691 77 ARG CA C 60.04 0.3 1 816 691 77 ARG CB C 31.34 0.3 1 817 691 77 ARG CG C 27.16 0.3 1 818 691 77 ARG CD C 44.54 0.3 1 819 691 77 ARG N N 115.43 0.1 1 820 692 78 LEU H H 8.07 0.02 1 821 692 78 LEU HA H 3.94 0.02 1 822 692 78 LEU HB2 H 1.15 0.02 2 823 692 78 LEU HB3 H 1.80 0.02 2 824 692 78 LEU HD1 H 0.71 0.02 2 825 692 78 LEU HD2 H 0.83 0.02 2 826 692 78 LEU C C 178.96 0.05 1 827 692 78 LEU CA C 57.95 0.3 1 828 692 78 LEU CB C 39.54 0.3 1 829 692 78 LEU CD1 C 22.52 0.3 2 830 692 78 LEU CD2 C 25.56 0.3 2 831 692 78 LEU N N 116.29 0.1 1 832 693 79 ALA H H 7.93 0.02 1 833 693 79 ALA HA H 3.91 0.02 1 834 693 79 ALA HB H 1.35 0.02 1 835 693 79 ALA C C 181.42 0.05 1 836 693 79 ALA CA C 54.99 0.3 1 837 693 79 ALA CB C 17.86 0.3 1 838 693 79 ALA N N 123.52 0.1 1 839 694 80 LYS H H 8.40 0.02 1 840 694 80 LYS HA H 4.07 0.02 1 841 694 80 LYS HB2 H 1.64 0.02 1 842 694 80 LYS HB3 H 1.64 0.02 1 843 694 80 LYS C C 180.26 0.05 1 844 694 80 LYS CA C 58.36 0.3 1 845 694 80 LYS CB C 32.86 0.3 1 846 694 80 LYS N N 116.14 0.1 1 847 695 81 LEU H H 8.08 0.02 1 848 695 81 LEU HA H 4.05 0.02 1 849 695 81 LEU HB2 H 1.70 0.02 2 850 695 81 LEU HB3 H 1.84 0.02 2 851 695 81 LEU HG H 1.82 0.02 1 852 695 81 LEU HD1 H 0.67 0.02 2 853 695 81 LEU HD2 H 0.48 0.02 2 854 695 81 LEU C C 178.44 0.05 1 855 695 81 LEU CA C 58.05 0.3 1 856 695 81 LEU CB C 42.60 0.3 1 857 695 81 LEU CG C 26.74 0.3 1 858 695 81 LEU CD1 C 25.78 0.3 2 859 695 81 LEU CD2 C 25.46 0.3 2 860 695 81 LEU N N 123.32 0.1 1 861 696 82 GLN H H 7.91 0.02 1 862 696 82 GLN HA H 3.61 0.02 1 863 696 82 GLN HB2 H 1.74 0.02 1 864 696 82 GLN HB3 H 1.74 0.02 1 865 696 82 GLN HG2 H 2.33 0.02 2 866 696 82 GLN HG3 H 2.42 0.02 2 867 696 82 GLN C C 179.09 0.05 1 868 696 82 GLN CA C 59.73 0.3 1 869 696 82 GLN CB C 27.38 0.3 1 870 696 82 GLN CG C 32.63 0.3 1 871 696 82 GLN N N 119.92 0.1 1 872 697 83 GLU H H 8.37 0.02 1 873 697 83 GLU HA H 4.08 0.02 1 874 697 83 GLU HB2 H 2.09 0.02 1 875 697 83 GLU HB3 H 2.09 0.02 1 876 697 83 GLU HG2 H 2.38 0.02 1 877 697 83 GLU HG3 H 2.38 0.02 1 878 697 83 GLU C C 178.81 0.05 1 879 697 83 GLU CA C 59.47 0.3 1 880 697 83 GLU CB C 29.73 0.3 1 881 697 83 GLU CG C 36.38 0.3 1 882 697 83 GLU N N 120.84 0.1 1 883 698 84 ALA H H 8.27 0.02 1 884 698 84 ALA HA H 4.42 0.02 1 885 698 84 ALA HB H 1.72 0.02 1 886 698 84 ALA C C 180.35 0.05 1 887 698 84 ALA CA C 55.13 0.3 1 888 698 84 ALA CB C 18.00 0.3 1 889 698 84 ALA N N 121.72 0.1 1 890 699 85 TYR H H 8.70 0.02 1 891 699 85 TYR HA H 3.90 0.02 1 892 699 85 TYR HB2 H 3.49 0.02 2 893 699 85 TYR HB3 H 3.64 0.02 2 894 699 85 TYR HD1 H 6.87 0.02 1 895 699 85 TYR HD2 H 6.87 0.02 1 896 699 85 TYR HE1 H 6.75 0.02 1 897 699 85 TYR HE2 H 6.75 0.02 1 898 699 85 TYR C C 177.89 0.05 1 899 699 85 TYR CA C 63.06 0.3 1 900 699 85 TYR CB C 37.82 0.3 1 901 699 85 TYR CD1 C 133.52 0.3 1 902 699 85 TYR CD2 C 133.52 0.3 1 903 699 85 TYR CE1 C 118.14 0.3 1 904 699 85 TYR CE2 C 118.14 0.3 1 905 699 85 TYR N N 118.89 0.1 1 906 700 86 CYS H H 8.23 0.02 1 907 700 86 CYS HA H 4.00 0.02 1 908 700 86 CYS HB2 H 3.01 0.02 2 909 700 86 CYS HB3 H 3.17 0.02 2 910 700 86 CYS C C 176.31 0.05 1 911 700 86 CYS CA C 63.79 0.3 1 912 700 86 CYS CB C 26.59 0.3 1 913 700 86 CYS N N 119.04 0.1 1 914 701 87 GLN H H 8.48 0.02 1 915 701 87 GLN HA H 3.93 0.02 1 916 701 87 GLN HB2 H 1.27 0.02 1 917 701 87 GLN HB3 H 1.27 0.02 1 918 701 87 GLN HG2 H 1.67 0.02 2 919 701 87 GLN HG3 H 1.92 0.02 2 920 701 87 GLN HE21 H 6.71 0.02 2 921 701 87 GLN HE22 H 7.00 0.02 2 922 701 87 GLN C C 177.77 0.05 1 923 701 87 GLN CA C 58.27 0.3 1 924 701 87 GLN CB C 29.12 0.3 1 925 701 87 GLN CG C 33.08 0.3 1 926 701 87 GLN N N 117.68 0.1 1 927 701 87 GLN NE2 N 110.23 0.1 1 928 702 88 TYR H H 8.19 0.02 1 929 702 88 TYR HA H 4.85 0.02 1 930 702 88 TYR HB2 H 2.75 0.02 2 931 702 88 TYR HB3 H 3.14 0.02 2 932 702 88 TYR HD1 H 7.21 0.02 1 933 702 88 TYR HD2 H 7.21 0.02 1 934 702 88 TYR HE1 H 6.82 0.02 1 935 702 88 TYR HE2 H 6.82 0.02 1 936 702 88 TYR C C 176.01 0.05 1 937 702 88 TYR CA C 58.94 0.3 1 938 702 88 TYR CB C 41.54 0.3 1 939 702 88 TYR CD1 C 132.81 0.3 1 940 702 88 TYR CD2 C 132.81 0.3 1 941 702 88 TYR CE1 C 117.94 0.3 1 942 702 88 TYR CE2 C 117.94 0.3 1 943 702 88 TYR N N 111.84 0.1 1 944 703 89 LEU H H 8.07 0.02 1 945 703 89 LEU HA H 4.86 0.02 1 946 703 89 LEU HB2 H 1.28 0.02 2 947 703 89 LEU HB3 H 1.43 0.02 2 948 703 89 LEU HD1 H 0.92 0.02 2 949 703 89 LEU HD2 H 0.72 0.02 2 950 703 89 LEU C C 176.43 0.05 1 951 703 89 LEU CA C 54.51 0.3 1 952 703 89 LEU CB C 46.75 0.3 1 953 703 89 LEU CD1 C 24.02 0.3 2 954 703 89 LEU CD2 C 22.59 0.3 2 955 703 89 LEU N N 115.99 0.1 1 956 704 90 LEU H H 7.33 0.02 1 957 704 90 LEU HA H 3.85 0.02 1 958 704 90 LEU HB2 H 1.49 0.02 2 959 704 90 LEU HB3 H 1.82 0.02 2 960 704 90 LEU HG H 1.63 0.02 1 961 704 90 LEU HD1 H 0.98 0.02 2 962 704 90 LEU HD2 H 1.15 0.02 2 963 704 90 LEU C C 178.86 0.05 1 964 704 90 LEU CA C 59.75 0.3 1 965 704 90 LEU CB C 42.54 0.3 1 966 704 90 LEU CG C 27.44 0.3 1 967 704 90 LEU CD1 C 25.51 0.3 2 968 704 90 LEU CD2 C 24.54 0.3 2 969 704 90 LEU N N 123.01 0.1 1 970 705 91 SER H H 8.61 0.02 1 971 705 91 SER HA H 4.07 0.02 1 972 705 91 SER HB2 H 3.90 0.02 1 973 705 91 SER HB3 H 3.90 0.02 1 974 705 91 SER C C 177.97 0.05 1 975 705 91 SER CA C 61.69 0.3 1 976 705 91 SER CB C 61.82 0.3 1 977 705 91 SER N N 114.22 0.1 1 978 706 92 TYR H H 8.53 0.02 1 979 706 92 TYR HA H 3.24 0.02 1 980 706 92 TYR HB2 H 2.91 0.02 2 981 706 92 TYR HB3 H 3.05 0.02 2 982 706 92 TYR HD1 H 6.50 0.02 1 983 706 92 TYR HD2 H 6.50 0.02 1 984 706 92 TYR HE1 H 5.79 0.02 1 985 706 92 TYR HE2 H 5.79 0.02 1 986 706 92 TYR C C 176.91 0.05 1 987 706 92 TYR CA C 61.50 0.3 1 988 706 92 TYR CB C 38.54 0.3 1 989 706 92 TYR CD1 C 132.47 0.3 1 990 706 92 TYR CD2 C 132.47 0.3 1 991 706 92 TYR CE1 C 118.55 0.3 1 992 706 92 TYR CE2 C 118.55 0.3 1 993 706 92 TYR N N 125.77 0.1 1 994 707 93 ASP H H 9.04 0.02 1 995 707 93 ASP HA H 4.78 0.02 1 996 707 93 ASP HB2 H 2.96 0.02 1 997 707 93 ASP HB3 H 2.96 0.02 1 998 707 93 ASP C C 177.67 0.05 1 999 707 93 ASP CA C 55.56 0.3 1 1000 707 93 ASP CB C 41.48 0.3 1 1001 707 93 ASP N N 117.51 0.1 1 1002 708 94 SER H H 7.58 0.02 1 1003 708 94 SER HA H 4.53 0.02 1 1004 708 94 SER HB2 H 3.90 0.02 1 1005 708 94 SER HB3 H 3.90 0.02 1 1006 708 94 SER C C 174.08 0.05 1 1007 708 94 SER CA C 58.56 0.3 1 1008 708 94 SER CB C 64.02 0.3 1 1009 708 94 SER N N 112.19 0.1 1 1010 709 95 LEU H H 7.02 0.02 1 1011 709 95 LEU HA H 4.09 0.02 1 1012 709 95 LEU HB2 H 0.77 0.02 2 1013 709 95 LEU HB3 H 0.84 0.02 2 1014 709 95 LEU HG H 1.63 0.02 1 1015 709 95 LEU HD1 H 0.59 0.02 2 1016 709 95 LEU HD2 H 0.04 0.02 2 1017 709 95 LEU C C 176.85 0.05 1 1018 709 95 LEU CA C 54.83 0.3 1 1019 709 95 LEU CB C 41.45 0.3 1 1020 709 95 LEU CG C 25.10 0.3 1 1021 709 95 LEU CD1 C 21.93 0.3 2 1022 709 95 LEU CD2 C 25.49 0.3 2 1023 709 95 LEU N N 122.57 0.1 1 1024 710 96 SER H H 8.84 0.02 1 1025 710 96 SER HA H 4.68 0.02 1 1026 710 96 SER HB2 H 4.02 0.02 2 1027 710 96 SER HB3 H 4.43 0.02 2 1028 710 96 SER C C 173.26 0.05 1 1029 710 96 SER CA C 56.67 0.3 1 1030 710 96 SER CB C 63.27 0.3 1 1031 710 96 SER N N 118.29 0.1 1 1032 711 97 PRO HA H 4.36 0.02 1 1033 711 97 PRO HB2 H 1.96 0.02 2 1034 711 97 PRO HB3 H 2.44 0.02 2 1035 711 97 PRO HG2 H 2.09 0.02 2 1036 711 97 PRO HG3 H 2.26 0.02 2 1037 711 97 PRO HD2 H 3.93 0.02 1 1038 711 97 PRO HD3 H 3.93 0.02 1 1039 711 97 PRO C C 179.68 0.05 1 1040 711 97 PRO CA C 66.06 0.3 1 1041 711 97 PRO CB C 32.06 0.3 1 1042 711 97 PRO CG C 28.30 0.3 1 1043 711 97 PRO CD C 50.39 0.3 1 1044 712 98 GLU H H 8.66 0.02 1 1045 712 98 GLU HA H 4.01 0.02 1 1046 712 98 GLU HB2 H 1.91 0.02 2 1047 712 98 GLU HB3 H 2.09 0.02 2 1048 712 98 GLU HG2 H 2.25 0.02 2 1049 712 98 GLU HG3 H 2.42 0.02 2 1050 712 98 GLU C C 179.41 0.05 1 1051 712 98 GLU CA C 59.81 0.3 1 1052 712 98 GLU CB C 28.97 0.3 1 1053 712 98 GLU CG C 36.80 0.3 1 1054 712 98 GLU N N 117.15 0.1 1 1055 713 99 GLU H H 7.89 0.02 1 1056 713 99 GLU HA H 4.09 0.02 1 1057 713 99 GLU HB2 H 1.89 0.02 1 1058 713 99 GLU HB3 H 1.89 0.02 1 1059 713 99 GLU HG2 H 2.22 0.02 2 1060 713 99 GLU HG3 H 2.32 0.02 2 1061 713 99 GLU C C 179.90 0.05 1 1062 713 99 GLU CA C 58.89 0.3 1 1063 713 99 GLU CB C 30.20 0.3 1 1064 713 99 GLU CG C 37.44 0.3 1 1065 713 99 GLU N N 122.25 0.1 1 1066 714 100 HIS H H 8.35 0.02 1 1067 714 100 HIS HA H 4.30 0.02 1 1068 714 100 HIS HB2 H 2.98 0.02 2 1069 714 100 HIS HB3 H 3.14 0.02 2 1070 714 100 HIS HD2 H 6.38 0.02 1 1071 714 100 HIS C C 178.50 0.05 1 1072 714 100 HIS CA C 60.76 0.3 1 1073 714 100 HIS CB C 30.63 0.3 1 1074 714 100 HIS CD2 C 117.61 0.3 1 1075 714 100 HIS N N 119.75 0.1 1 1076 715 101 ARG H H 8.21 0.02 1 1077 715 101 ARG HA H 4.09 0.02 1 1078 715 101 ARG HB2 H 1.90 0.02 2 1079 715 101 ARG HB3 H 2.01 0.02 2 1080 715 101 ARG HG2 H 1.70 0.02 2 1081 715 101 ARG HG3 H 1.80 0.02 2 1082 715 101 ARG HD2 H 3.24 0.02 1 1083 715 101 ARG HD3 H 3.24 0.02 1 1084 715 101 ARG C C 179.07 0.05 1 1085 715 101 ARG CA C 59.33 0.3 1 1086 715 101 ARG CB C 30.33 0.3 1 1087 715 101 ARG CG C 27.62 0.3 1 1088 715 101 ARG CD C 43.51 0.3 1 1089 715 101 ARG N N 118.90 0.1 1 1090 716 102 ARG H H 7.91 0.02 1 1091 716 102 ARG HA H 4.11 0.02 1 1092 716 102 ARG HB2 H 2.04 0.02 2 1093 716 102 ARG HB3 H 2.23 0.02 2 1094 716 102 ARG HD2 H 3.19 0.02 1 1095 716 102 ARG HD3 H 3.19 0.02 1 1096 716 102 ARG C C 178.97 0.05 1 1097 716 102 ARG CA C 59.84 0.3 1 1098 716 102 ARG CB C 30.00 0.3 1 1099 716 102 ARG CD C 43.00 0.3 1 1100 716 102 ARG N N 120.70 0.1 1 1101 717 103 LEU H H 7.93 0.02 1 1102 717 103 LEU HA H 4.09 0.02 1 1103 717 103 LEU HB2 H 1.58 0.02 2 1104 717 103 LEU HB3 H 2.14 0.02 2 1105 717 103 LEU HG H 1.81 0.02 1 1106 717 103 LEU HD1 H 1.08 0.02 2 1107 717 103 LEU HD2 H 1.09 0.02 2 1108 717 103 LEU C C 178.41 0.05 1 1109 717 103 LEU CA C 58.32 0.3 1 1110 717 103 LEU CB C 42.77 0.3 1 1111 717 103 LEU CG C 27.50 0.3 1 1112 717 103 LEU CD1 C 26.33 0.3 2 1113 717 103 LEU CD2 C 24.27 0.3 2 1114 717 103 LEU N N 120.61 0.1 1 1115 718 104 GLU H H 8.26 0.02 1 1116 718 104 GLU HA H 3.83 0.02 1 1117 718 104 GLU HB2 H 2.25 0.02 2 1118 718 104 GLU HB3 H 2.01 0.02 2 1119 718 104 GLU HG2 H 2.28 0.02 2 1120 718 104 GLU HG3 H 2.50 0.02 2 1121 718 104 GLU C C 178.68 0.05 1 1122 718 104 GLU CA C 59.90 0.3 1 1123 718 104 GLU CB C 29.53 0.3 1 1124 718 104 GLU CG C 37.50 0.3 1 1125 718 104 GLU N N 117.78 0.1 1 1126 719 105 LYS H H 7.98 0.02 1 1127 719 105 LYS HA H 4.05 0.02 1 1128 719 105 LYS HB2 H 2.00 0.02 1 1129 719 105 LYS HB3 H 2.00 0.02 1 1130 719 105 LYS HG2 H 1.70 0.02 1 1131 719 105 LYS HG3 H 1.70 0.02 1 1132 719 105 LYS HD2 H 1.45 0.02 2 1133 719 105 LYS HD3 H 1.60 0.02 2 1134 719 105 LYS HE2 H 2.98 0.02 1 1135 719 105 LYS HE3 H 2.98 0.02 1 1136 719 105 LYS C C 179.25 0.05 1 1137 719 105 LYS CA C 59.39 0.3 1 1138 719 105 LYS CB C 32.24 0.3 1 1139 719 105 LYS CG C 29.23 0.3 1 1140 719 105 LYS CD C 25.14 0.3 1 1141 719 105 LYS CE C 42.15 0.3 1 1142 719 105 LYS N N 118.73 0.1 1 1143 720 106 GLU H H 8.17 0.02 1 1144 720 106 GLU HA H 4.06 0.02 1 1145 720 106 GLU HB2 H 2.03 0.02 2 1146 720 106 GLU HB3 H 2.29 0.02 2 1147 720 106 GLU HG2 H 2.23 0.02 2 1148 720 106 GLU HG3 H 2.61 0.02 2 1149 720 106 GLU C C 179.87 0.05 1 1150 720 106 GLU CA C 59.74 0.3 1 1151 720 106 GLU CB C 29.95 0.3 1 1152 720 106 GLU CG C 36.83 0.3 1 1153 720 106 GLU N N 119.52 0.1 1 1154 721 107 VAL H H 8.49 0.02 1 1155 721 107 VAL HA H 3.84 0.02 1 1156 721 107 VAL HB H 2.34 0.02 1 1157 721 107 VAL HG1 H 1.18 0.02 2 1158 721 107 VAL HG2 H 1.08 0.02 2 1159 721 107 VAL C C 178.79 0.05 1 1160 721 107 VAL CA C 66.07 0.3 1 1161 721 107 VAL CB C 31.80 0.3 1 1162 721 107 VAL CG1 C 23.34 0.3 2 1163 721 107 VAL CG2 C 21.71 0.3 2 1164 721 107 VAL N N 119.07 0.1 1 1165 722 108 LEU H H 8.15 0.02 1 1166 722 108 LEU HA H 4.06 0.02 1 1167 722 108 LEU HB2 H 1.62 0.02 2 1168 722 108 LEU HB3 H 1.86 0.02 2 1169 722 108 LEU HG H 1.76 0.02 1 1170 722 108 LEU HD1 H 0.67 0.02 2 1171 722 108 LEU HD2 H 0.87 0.02 2 1172 722 108 LEU C C 179.34 0.05 1 1173 722 108 LEU CA C 57.88 0.3 1 1174 722 108 LEU CB C 41.80 0.3 1 1175 722 108 LEU CG C 27.20 0.3 1 1176 722 108 LEU CD1 C 25.79 0.3 2 1177 722 108 LEU CD2 C 23.34 0.3 2 1178 722 108 LEU N N 121.25 0.1 1 1179 723 109 MET H H 8.02 0.02 1 1180 723 109 MET HA H 4.27 0.02 1 1181 723 109 MET HB2 H 2.20 0.02 2 1182 723 109 MET HG2 H 2.61 0.02 2 1183 723 109 MET HG3 H 2.75 0.02 2 1184 723 109 MET C C 178.22 0.05 1 1185 723 109 MET CA C 57.81 0.3 1 1186 723 109 MET CB C 32.65 0.3 1 1187 723 109 MET CG C 31.99 0.3 1 1188 723 109 MET N N 118.33 0.1 1 1189 724 110 GLU H H 7.89 0.02 1 1190 724 110 GLU HA H 4.10 0.02 1 1191 724 110 GLU HB2 H 2.10 0.02 1 1192 724 110 GLU HB3 H 2.10 0.02 1 1193 724 110 GLU HG2 H 2.50 0.02 1 1194 724 110 GLU HG3 H 2.50 0.02 1 1195 724 110 GLU C C 177.86 0.05 1 1196 724 110 GLU CA C 58.35 0.3 1 1197 724 110 GLU CB C 29.70 0.3 1 1198 724 110 GLU CG C 36.80 0.3 1 1199 724 110 GLU N N 119.53 0.1 1 1200 725 111 LYS H H 7.84 0.02 1 1201 725 111 LYS HA H 4.06 0.02 1 1202 725 111 LYS HB2 H 1.65 0.02 2 1203 725 111 LYS HB3 H 1.76 0.02 2 1204 725 111 LYS HG2 H 1.08 0.02 2 1205 725 111 LYS HG3 H 1.26 0.02 2 1206 725 111 LYS HD2 H 1.15 0.02 1 1207 725 111 LYS HD3 H 1.15 0.02 1 1208 725 111 LYS HE2 H 2.55 0.02 2 1209 725 111 LYS HE3 H 3.17 0.02 2 1210 725 111 LYS C C 177.28 0.05 1 1211 725 111 LYS CA C 57.88 0.3 1 1212 725 111 LYS CB C 32.80 0.3 1 1213 725 111 LYS CG C 29.22 0.3 1 1214 725 111 LYS CD C 24.33 0.3 1 1215 725 111 LYS CE C 41.75 0.3 1 1216 725 111 LYS N N 120.39 0.1 1 1217 726 112 GLU H H 8.04 0.02 1 1218 726 112 GLU HA H 4.10 0.02 1 1219 726 112 GLU HB2 H 2.03 0.02 1 1220 726 112 GLU HB3 H 2.03 0.02 1 1221 726 112 GLU HG2 H 2.20 0.02 2 1222 726 112 GLU HG3 H 2.33 0.02 2 1223 726 112 GLU C C 177.65 0.05 1 1224 726 112 GLU CA C 57.82 0.3 1 1225 726 112 GLU CB C 29.85 0.3 1 1226 726 112 GLU CG C 36.46 0.3 1 1227 726 112 GLU N N 119.26 0.1 1 1228 727 113 ILE H H 7.90 0.02 1 1229 727 113 ILE HA H 4.00 0.02 1 1230 727 113 ILE HB H 1.90 0.02 1 1231 727 113 ILE HG12 H 1.20 0.02 2 1232 727 113 ILE HG13 H 1.55 0.02 2 1233 727 113 ILE HG2 H 0.90 0.02 1 1234 727 113 ILE HD1 H 0.84 0.02 1 1235 727 113 ILE C C 176.89 0.05 1 1236 727 113 ILE CA C 62.38 0.3 1 1237 727 113 ILE CB C 38.43 0.3 1 1238 727 113 ILE CG1 C 28.00 0.3 1 1239 727 113 ILE CG2 C 17.53 0.3 1 1240 727 113 ILE CD1 C 13.01 0.3 1 1241 727 113 ILE N N 120.20 0.1 1 1242 728 114 LEU H H 8.00 0.02 1 1243 728 114 LEU HA H 4.33 0.02 1 1244 728 114 LEU HB2 H 1.59 0.02 2 1245 728 114 LEU HB3 H 1.67 0.02 2 1246 728 114 LEU HG H 1.65 0.02 1 1247 728 114 LEU HD1 H 0.91 0.02 2 1248 728 114 LEU HD2 H 0.87 0.02 2 1249 728 114 LEU C C 177.67 0.05 1 1250 728 114 LEU CA C 55.67 0.3 1 1251 728 114 LEU CB C 42.18 0.3 1 1252 728 114 LEU CG C 27.00 0.3 1 1253 728 114 LEU CD1 C 24.29 0.3 2 1254 728 114 LEU CD2 C 23.35 0.3 2 1255 728 114 LEU N N 123.64 0.1 1 1256 729 115 GLU H H 8.10 0.02 1 1257 729 115 GLU HA H 4.27 0.02 1 1258 729 115 GLU HB2 H 1.94 0.02 2 1259 729 115 GLU HB3 H 2.06 0.02 2 1260 729 115 GLU HG2 H 2.22 0.02 2 1261 729 115 GLU HG3 H 2.33 0.02 2 1262 729 115 GLU C C 175.48 0.05 1 1263 729 115 GLU CA C 56.61 0.3 1 1264 729 115 GLU CB C 30.06 0.3 1 1265 729 115 GLU CG C 36.43 0.3 1 1266 729 115 GLU N N 120.77 0.1 1 1267 730 116 LYS H H 7.76 0.02 1 1268 730 116 LYS HA H 4.11 0.02 1 1269 730 116 LYS HB2 H 1.75 0.02 2 1270 730 116 LYS HB3 H 1.82 0.02 2 1271 730 116 LYS HG2 H 1.67 0.02 1 1272 730 116 LYS HG3 H 1.67 0.02 1 1273 730 116 LYS HD2 H 1.41 0.02 1 1274 730 116 LYS HD3 H 1.41 0.02 1 1275 730 116 LYS HE2 H 2.98 0.02 1 1276 730 116 LYS HE3 H 2.98 0.02 1 1277 730 116 LYS C C 181.44 0.05 1 1278 730 116 LYS CA C 57.94 0.3 1 1279 730 116 LYS CB C 33.66 0.3 1 1280 730 116 LYS CG C 29.28 0.3 1 1281 730 116 LYS CD C 24.82 0.3 1 1282 730 116 LYS CE C 42.21 0.3 1 1283 730 116 LYS N N 127.01 0.1 1 stop_ save_