data_17607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RBBP1 tudor domain ; _BMRB_accession_number 17607 _BMRB_flat_file_name bmr17607.str _Entry_type original _Submission_date 2011-04-28 _Accession_date 2011-04-28 _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 Gong Weibin . . 2 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 575 "13C chemical shifts" 488 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17606 'RBBP1 chromobarrel domain' stop_ _Original_release_date 2012-05-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insight into recognition of methylated histone tails by retinoblastoma-binding protein 1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22247551 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gong Weibin . . 2 Zhou Tao . . 3 Mo Jinjin . . 4 Perrett Sarah . . 5 Wang Jinfeng . . 6 Feng Yingang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8531 _Page_last 8540 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RBBP1 tudor domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBBP1 $RBBP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RBBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13172.984 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; ADEPAYLTVGTDVSAKYRGA FCEAKIKTVKRLVKVKVLLK QDNTTQLVQDDQVKGPLRVG AIVETRTSDGSFQEAIISKL TDASWYTVVFDDGDERTLRR TSLCLKGERHFAESETLD ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLU 4 PRO 5 ALA 6 TYR 7 LEU 8 THR 9 VAL 10 GLY 11 THR 12 ASP 13 VAL 14 SER 15 ALA 16 LYS 17 TYR 18 ARG 19 GLY 20 ALA 21 PHE 22 CYS 23 GLU 24 ALA 25 LYS 26 ILE 27 LYS 28 THR 29 VAL 30 LYS 31 ARG 32 LEU 33 VAL 34 LYS 35 VAL 36 LYS 37 VAL 38 LEU 39 LEU 40 LYS 41 GLN 42 ASP 43 ASN 44 THR 45 THR 46 GLN 47 LEU 48 VAL 49 GLN 50 ASP 51 ASP 52 GLN 53 VAL 54 LYS 55 GLY 56 PRO 57 LEU 58 ARG 59 VAL 60 GLY 61 ALA 62 ILE 63 VAL 64 GLU 65 THR 66 ARG 67 THR 68 SER 69 ASP 70 GLY 71 SER 72 PHE 73 GLN 74 GLU 75 ALA 76 ILE 77 ILE 78 SER 79 LYS 80 LEU 81 THR 82 ASP 83 ALA 84 SER 85 TRP 86 TYR 87 THR 88 VAL 89 VAL 90 PHE 91 ASP 92 ASP 93 GLY 94 ASP 95 GLU 96 ARG 97 THR 98 LEU 99 ARG 100 ARG 101 THR 102 SER 103 LEU 104 CYS 105 LEU 106 LYS 107 GLY 108 GLU 109 ARG 110 HIS 111 PHE 112 ALA 113 GLU 114 SER 115 GLU 116 THR 117 LEU 118 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2MAM "Solution Structure Of The Interdigitated Double Tudor Domain Of Rbbp1" 100.00 118 100.00 100.00 1.58e-78 DBJ BAC31192 "unnamed protein product [Mus musculus]" 100.00 295 99.15 99.15 8.07e-76 GB AAB28543 "retinoblastoma binding protein 1 [Homo sapiens]" 100.00 1257 100.00 100.00 1.14e-72 GB AAH25436 "Arid4a protein, partial [Mus musculus]" 100.00 422 99.15 99.15 4.54e-74 GB AAH26230 "ARID4A protein, partial [Homo sapiens]" 100.00 424 100.00 100.00 2.83e-75 GB AAH58209 "Arid4a protein, partial [Mus musculus]" 100.00 537 99.15 99.15 2.79e-73 GB AAI57976 "Arid4a protein [Mus musculus]" 100.00 1260 99.15 99.15 4.09e-71 REF NP_001074664 "AT-rich interactive domain-containing protein 4A [Mus musculus]" 100.00 1261 99.15 99.15 3.50e-71 REF NP_001231108 "AT-rich interactive domain-containing protein 4A [Sus scrofa]" 100.00 1259 98.31 100.00 6.23e-72 REF NP_001243510 "AT-rich interactive domain-containing protein 4A [Bos taurus]" 100.00 1261 99.15 100.00 1.32e-72 REF NP_002883 "AT-rich interactive domain-containing protein 4A isoform I [Homo sapiens]" 100.00 1257 100.00 100.00 1.14e-72 REF NP_075376 "AT-rich interactive domain-containing protein 4A isoform II [Homo sapiens]" 100.00 1203 100.00 100.00 7.80e-73 SP P29374 "RecName: Full=AT-rich interactive domain-containing protein 4A; Short=ARID domain-containing protein 4A; AltName: Full=Retinobl" 100.00 1257 100.00 100.00 1.14e-72 TPG DAA25277 "TPA: retinoblastoma-binding protein 1-like [Bos taurus]" 100.00 1261 99.15 100.00 1.32e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RBBP1 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 $RBBP1 'recombinant technology' . Escherichia coli 'Rosetta (DE3)' 'pGBO expression vector' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBBP1 0.6 mM '[U-95% 15N]' TRIS 50 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBBP1 0.6 mM '[U-95% 13C; U-95% 15N]' TRIS 50 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details 'equipped with a z-gradient triple-resonance cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RBBP1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.3000 0.02 1 2 1 1 ALA HB H 1.3930 0.02 1 3 1 1 ALA C C 177.4330 0.3 1 4 1 1 ALA CA C 52.8670 0.3 1 5 1 1 ALA CB C 19.0850 0.3 1 6 2 2 ASP H H 8.2550 0.02 1 7 2 2 ASP HA H 4.5840 0.02 1 8 2 2 ASP HB2 H 2.6850 0.02 2 9 2 2 ASP HB3 H 2.5520 0.02 2 10 2 2 ASP C C 175.8800 0.3 1 11 2 2 ASP CA C 54.1770 0.3 1 12 2 2 ASP CB C 41.1370 0.3 1 13 2 2 ASP N N 118.8380 0.3 1 14 3 3 GLU H H 8.1030 0.02 1 15 3 3 GLU HA H 4.5690 0.02 1 16 3 3 GLU HB2 H 1.8800 0.02 2 17 3 3 GLU HG2 H 2.2680 0.02 2 18 3 3 GLU CA C 54.3190 0.3 1 19 3 3 GLU CB C 29.8180 0.3 1 20 3 3 GLU CG C 36.0600 0.3 1 21 3 3 GLU N N 121.7770 0.3 1 22 4 4 PRO HA H 4.3700 0.02 1 23 4 4 PRO HB2 H 1.9610 0.02 2 24 4 4 PRO HB3 H 2.3040 0.02 2 25 4 4 PRO HG2 H 2.0120 0.02 2 26 4 4 PRO HG3 H 2.0760 0.02 2 27 4 4 PRO HD2 H 3.5860 0.02 2 28 4 4 PRO CA C 63.5760 0.3 1 29 4 4 PRO CB C 32.2050 0.3 1 30 4 4 PRO CG C 27.2270 0.3 1 31 4 4 PRO CD C 49.6170 0.3 1 32 5 5 ALA HA H 4.0380 0.02 1 33 5 5 ALA HB H 1.4950 0.02 1 34 5 5 ALA C C 175.5440 0.3 1 35 5 5 ALA CA C 54.5050 0.3 1 36 5 5 ALA CB C 19.5460 0.3 1 37 6 6 TYR H H 6.9320 0.02 1 38 6 6 TYR HA H 4.6470 0.02 1 39 6 6 TYR HB2 H 3.0800 0.02 2 40 6 6 TYR HB3 H 2.8050 0.02 2 41 6 6 TYR HD1 H 6.8800 0.02 1 42 6 6 TYR HD2 H 6.8800 0.02 1 43 6 6 TYR HE1 H 6.7300 0.02 1 44 6 6 TYR HE2 H 6.7300 0.02 1 45 6 6 TYR C C 173.3490 0.3 1 46 6 6 TYR CA C 55.2690 0.3 1 47 6 6 TYR CB C 39.1250 0.3 1 48 6 6 TYR CD1 C 133.6590 0.3 1 49 6 6 TYR CD2 C 133.6590 0.3 1 50 6 6 TYR CE1 C 117.7470 0.3 1 51 6 6 TYR CE2 C 117.7470 0.3 1 52 6 6 TYR N N 107.9460 0.3 1 53 7 7 LEU H H 8.8630 0.02 1 54 7 7 LEU HA H 4.7160 0.02 1 55 7 7 LEU HB2 H 1.5890 0.02 2 56 7 7 LEU HG H 1.3360 0.02 1 57 7 7 LEU HD1 H 0.2820 0.02 2 58 7 7 LEU HD2 H 0.6710 0.02 2 59 7 7 LEU C C 176.1120 0.3 1 60 7 7 LEU CA C 52.9140 0.3 1 61 7 7 LEU CB C 43.1000 0.3 1 62 7 7 LEU CG C 27.2670 0.3 1 63 7 7 LEU CD1 C 25.8870 0.3 2 64 7 7 LEU CD2 C 22.5610 0.3 2 65 7 7 LEU N N 120.0200 0.3 1 66 8 8 THR H H 7.4120 0.02 1 67 8 8 THR HA H 4.7430 0.02 1 68 8 8 THR HB H 4.3130 0.02 1 69 8 8 THR HG2 H 1.2440 0.02 1 70 8 8 THR C C 177.1720 0.3 1 71 8 8 THR CA C 59.7160 0.3 1 72 8 8 THR CB C 71.7772 0.3 1 73 8 8 THR CG2 C 22.3290 0.3 1 74 8 8 THR N N 106.3360 0.3 1 75 9 9 VAL H H 8.8130 0.02 1 76 9 9 VAL HA H 3.3200 0.02 1 77 9 9 VAL HB H 1.9990 0.02 1 78 9 9 VAL HG1 H 1.0080 0.02 2 79 9 9 VAL HG2 H 1.0800 0.02 2 80 9 9 VAL C C 176.6300 0.3 1 81 9 9 VAL CA C 65.4820 0.3 1 82 9 9 VAL CB C 32.0410 0.3 1 83 9 9 VAL CG1 C 21.4340 0.3 2 84 9 9 VAL CG2 C 23.1170 0.3 2 85 9 9 VAL N N 122.9800 0.3 1 86 10 10 GLY H H 9.1130 0.02 1 87 10 10 GLY HA2 H 4.4530 0.02 2 88 10 10 GLY HA3 H 3.5550 0.02 2 89 10 10 GLY C C 174.3750 0.3 1 90 10 10 GLY CA C 44.5610 0.3 1 91 10 10 GLY N N 115.1270 0.3 1 92 11 11 THR H H 7.5720 0.02 1 93 11 11 THR HA H 5.1560 0.02 1 94 11 11 THR HB H 3.9640 0.02 1 95 11 11 THR HG2 H 1.2060 0.02 1 96 11 11 THR C C 173.9660 0.3 1 97 11 11 THR CA C 64.6580 0.3 1 98 11 11 THR CB C 69.4128 0.3 1 99 11 11 THR CG2 C 21.5320 0.3 1 100 11 11 THR N N 117.5140 0.3 1 101 12 12 ASP H H 8.6100 0.02 1 102 12 12 ASP HA H 5.1360 0.02 1 103 12 12 ASP HB2 H 2.7890 0.02 2 104 12 12 ASP HB3 H 2.5650 0.02 2 105 12 12 ASP C C 173.2500 0.3 1 106 12 12 ASP CA C 54.9390 0.3 1 107 12 12 ASP CB C 41.7600 0.3 1 108 12 12 ASP N N 127.3210 0.3 1 109 13 13 VAL H H 8.7660 0.02 1 110 13 13 VAL HA H 5.0020 0.02 1 111 13 13 VAL HB H 2.0850 0.02 1 112 13 13 VAL HG1 H 0.6510 0.02 1 113 13 13 VAL HG2 H 0.4350 0.02 1 114 13 13 VAL C C 174.5160 0.3 1 115 13 13 VAL CA C 58.8070 0.3 1 116 13 13 VAL CB C 36.3670 0.3 1 117 13 13 VAL CG1 C 22.7270 0.3 1 118 13 13 VAL CG2 C 18.0910 0.3 1 119 13 13 VAL N N 115.5800 0.3 1 120 14 14 SER H H 8.8110 0.02 1 121 14 14 SER HA H 5.3430 0.02 1 122 14 14 SER HB3 H 3.5860 0.02 2 123 14 14 SER C C 173.4220 0.3 1 124 14 14 SER CA C 57.5140 0.3 1 125 14 14 SER CB C 64.9210 0.3 1 126 14 14 SER N N 115.0270 0.3 1 127 15 15 ALA H H 9.2450 0.02 1 128 15 15 ALA HA H 5.1490 0.02 1 129 15 15 ALA HB H 1.2910 0.02 1 130 15 15 ALA C C 175.8450 0.3 1 131 15 15 ALA CA C 50.6740 0.3 1 132 15 15 ALA CB C 23.0370 0.3 1 133 15 15 ALA N N 125.4800 0.3 1 134 16 16 LYS H H 8.7840 0.02 1 135 16 16 LYS HA H 4.0580 0.02 1 136 16 16 LYS HB2 H 1.5580 0.02 2 137 16 16 LYS HB3 H 1.2190 0.02 2 138 16 16 LYS HG2 H 0.7180 0.02 2 139 16 16 LYS HG3 H 0.8750 0.02 2 140 16 16 LYS HD2 H 1.2810 0.02 2 141 16 16 LYS HE2 H 2.5810 0.02 2 142 16 16 LYS C C 175.7470 0.3 1 143 16 16 LYS CA C 56.7630 0.3 1 144 16 16 LYS CB C 32.0220 0.3 1 145 16 16 LYS CG C 24.7350 0.3 1 146 16 16 LYS CD C 28.8710 0.3 1 147 16 16 LYS CE C 41.6680 0.3 1 148 16 16 LYS N N 123.2890 0.3 1 149 17 17 TYR H H 8.9200 0.02 1 150 17 17 TYR HA H 4.4590 0.02 1 151 17 17 TYR HB3 H 2.4800 0.02 2 152 17 17 TYR HD1 H 6.6340 0.02 1 153 17 17 TYR HD2 H 6.6340 0.02 1 154 17 17 TYR HE1 H 6.5740 0.02 1 155 17 17 TYR HE2 H 6.5740 0.02 1 156 17 17 TYR C C 175.7380 0.3 1 157 17 17 TYR CA C 57.3450 0.3 1 158 17 17 TYR CB C 40.3960 0.3 1 159 17 17 TYR CD1 C 132.3800 0.3 1 160 17 17 TYR CD2 C 132.3800 0.3 1 161 17 17 TYR CE1 C 117.7200 0.3 1 162 17 17 TYR CE2 C 117.7200 0.3 1 163 17 17 TYR N N 127.5360 0.3 1 164 18 18 ARG H H 8.8620 0.02 1 165 18 18 ARG HA H 3.5400 0.02 1 166 18 18 ARG HB2 H 1.6450 0.02 2 167 18 18 ARG HB3 H 1.3890 0.02 2 168 18 18 ARG HG2 H 0.2730 0.02 2 169 18 18 ARG HG3 H 0.9420 0.02 2 170 18 18 ARG HD2 H 2.8030 0.02 2 171 18 18 ARG CA C 56.9730 0.3 1 172 18 18 ARG CB C 27.4700 0.3 1 173 18 18 ARG CG C 26.8750 0.3 1 174 18 18 ARG CD C 43.7750 0.3 1 175 18 18 ARG N N 125.3910 0.3 1 176 19 19 GLY H H 8.4210 0.02 1 177 19 19 GLY HA2 H 3.4660 0.02 2 178 19 19 GLY HA3 H 4.0860 0.02 2 179 19 19 GLY C C 173.2410 0.3 1 180 19 19 GLY CA C 45.5550 0.3 1 181 19 19 GLY N N 103.8030 0.3 1 182 20 20 ALA H H 7.6280 0.02 1 183 20 20 ALA HA H 4.6790 0.02 1 184 20 20 ALA HB H 1.3750 0.02 1 185 20 20 ALA C C 175.9250 0.3 1 186 20 20 ALA CA C 50.5960 0.3 1 187 20 20 ALA CB C 21.8420 0.3 1 188 20 20 ALA N N 123.3450 0.3 1 189 21 21 PHE H H 8.8250 0.02 1 190 21 21 PHE HA H 4.6830 0.02 1 191 21 21 PHE HB2 H 2.8160 0.02 2 192 21 21 PHE HB3 H 2.8680 0.02 2 193 21 21 PHE HD1 H 7.0490 0.02 1 194 21 21 PHE HD2 H 7.0490 0.02 1 195 21 21 PHE HE1 H 7.2850 0.02 1 196 21 21 PHE HE2 H 7.2850 0.02 1 197 21 21 PHE C C 176.5340 0.3 1 198 21 21 PHE CA C 59.6400 0.3 1 199 21 21 PHE CB C 39.5260 0.3 1 200 21 21 PHE CD1 C 131.5260 0.3 1 201 21 21 PHE CD2 C 131.5260 0.3 1 202 21 21 PHE CE1 C 131.6980 0.3 1 203 21 21 PHE CE2 C 131.6980 0.3 1 204 21 21 PHE N N 120.4810 0.3 1 205 22 22 CYS H H 9.1900 0.02 1 206 22 22 CYS HA H 4.9330 0.02 1 207 22 22 CYS HB2 H 2.9770 0.02 2 208 22 22 CYS HB3 H 3.2300 0.02 2 209 22 22 CYS C C 173.4420 0.3 1 210 22 22 CYS CA C 57.9480 0.3 1 211 22 22 CYS CB C 31.7960 0.3 1 212 22 22 CYS N N 123.4070 0.3 1 213 23 23 GLU H H 8.8590 0.02 1 214 23 23 GLU HA H 4.6690 0.02 1 215 23 23 GLU HB2 H 2.1300 0.02 2 216 23 23 GLU HB3 H 2.0580 0.02 2 217 23 23 GLU HG2 H 2.3500 0.02 2 218 23 23 GLU HG3 H 2.4360 0.02 2 219 23 23 GLU C C 175.7770 0.3 1 220 23 23 GLU CA C 57.3360 0.3 1 221 23 23 GLU CB C 30.4040 0.3 1 222 23 23 GLU CG C 36.9570 0.3 1 223 23 23 GLU N N 122.5840 0.3 1 224 24 24 ALA H H 9.0280 0.02 1 225 24 24 ALA HA H 4.7740 0.02 1 226 24 24 ALA HB H 0.5190 0.02 1 227 24 24 ALA C C 175.5970 0.3 1 228 24 24 ALA CA C 50.7320 0.3 1 229 24 24 ALA CB C 23.1220 0.3 1 230 24 24 ALA N N 124.2600 0.3 1 231 25 25 LYS H H 7.7750 0.02 1 232 25 25 LYS HA H 5.1980 0.02 1 233 25 25 LYS HB2 H 1.4370 0.02 2 234 25 25 LYS HB3 H 1.5460 0.02 2 235 25 25 LYS HG2 H 1.3210 0.02 2 236 25 25 LYS HD2 H 1.5360 0.02 2 237 25 25 LYS HE2 H 2.9730 0.02 2 238 25 25 LYS C C 177.3120 0.3 1 239 25 25 LYS CA C 54.4730 0.3 1 240 25 25 LYS CB C 36.6230 0.3 1 241 25 25 LYS CG C 24.4230 0.3 1 242 25 25 LYS CD C 29.3390 0.3 1 243 25 25 LYS CE C 41.5120 0.3 1 244 25 25 LYS N N 117.8810 0.3 1 245 26 26 ILE H H 8.2630 0.02 1 246 26 26 ILE HA H 3.9310 0.02 1 247 26 26 ILE HB H 2.0180 0.02 1 248 26 26 ILE HG12 H 1.6340 0.02 2 249 26 26 ILE HG13 H 0.8640 0.02 2 250 26 26 ILE HG2 H 0.8660 0.02 1 251 26 26 ILE HD1 H 0.5180 0.02 1 252 26 26 ILE C C 175.5640 0.3 1 253 26 26 ILE CA C 63.2180 0.3 1 254 26 26 ILE CB C 37.1610 0.3 1 255 26 26 ILE CG1 C 27.8560 0.3 1 256 26 26 ILE CG2 C 19.1170 0.3 1 257 26 26 ILE CD1 C 13.9359 0.3 1 258 26 26 ILE N N 121.3810 0.3 1 259 27 27 LYS H H 9.7890 0.02 1 260 27 27 LYS HA H 4.5070 0.02 1 261 27 27 LYS HB2 H 1.7730 0.02 2 262 27 27 LYS HB3 H 1.5360 0.02 2 263 27 27 LYS HG2 H 1.4280 0.02 2 264 27 27 LYS C C 175.3450 0.3 1 265 27 27 LYS CA C 57.9100 0.3 1 266 27 27 LYS CB C 35.3900 0.3 1 267 27 27 LYS CG C 24.5790 0.3 1 268 27 27 LYS CE C 41.8240 0.3 1 269 27 27 LYS N N 133.6220 0.3 1 270 28 28 THR H H 7.7520 0.02 1 271 28 28 THR HA H 4.6190 0.02 1 272 28 28 THR HB H 3.8950 0.02 1 273 28 28 THR HG2 H 1.2050 0.02 1 274 28 28 THR C C 172.1600 0.3 1 275 28 28 THR CA C 61.4080 0.3 1 276 28 28 THR CB C 72.2575 0.3 1 277 28 28 THR CG2 C 22.7840 0.3 1 278 28 28 THR N N 111.4110 0.3 1 279 29 29 VAL H H 8.9510 0.02 1 280 29 29 VAL HA H 4.5190 0.02 1 281 29 29 VAL HB H 2.0250 0.02 1 282 29 29 VAL HG1 H 0.8030 0.02 1 283 29 29 VAL HG2 H 1.0450 0.02 1 284 29 29 VAL C C 175.0010 0.3 1 285 29 29 VAL CA C 61.4260 0.3 1 286 29 29 VAL CB C 35.3600 0.3 1 287 29 29 VAL CG1 C 19.9570 0.3 1 288 29 29 VAL CG2 C 21.4580 0.3 1 289 29 29 VAL N N 124.5420 0.3 1 290 30 30 LYS H H 8.5700 0.02 1 291 30 30 LYS HA H 4.6340 0.02 1 292 30 30 LYS HB2 H 1.7390 0.02 2 293 30 30 LYS HB3 H 1.9900 0.02 2 294 30 30 LYS HG2 H 1.3950 0.02 2 295 30 30 LYS C C 175.2530 0.3 1 296 30 30 LYS CA C 54.5490 0.3 1 297 30 30 LYS CB C 32.4100 0.3 1 298 30 30 LYS CG C 24.5010 0.3 1 299 30 30 LYS CD C 27.1540 0.3 1 300 30 30 LYS CE C 42.0580 0.3 1 301 30 30 LYS N N 130.1310 0.3 1 302 31 31 ARG H H 8.5950 0.02 1 303 31 31 ARG HA H 4.0170 0.02 1 304 31 31 ARG HB2 H 1.4140 0.02 2 305 31 31 ARG HG2 H 1.5830 0.02 2 306 31 31 ARG HD2 H 2.1900 0.02 2 307 31 31 ARG HD3 H 2.2200 0.02 2 308 31 31 ARG C C 176.4210 0.3 1 309 31 31 ARG CA C 56.7240 0.3 1 310 31 31 ARG CB C 31.2260 0.3 1 311 31 31 ARG CG C 26.9980 0.3 1 312 31 31 ARG CD C 42.6040 0.3 1 313 31 31 ARG N N 127.4650 0.3 1 314 32 32 LEU H H 8.6160 0.02 1 315 32 32 LEU HA H 4.3590 0.02 1 316 32 32 LEU HB2 H 1.5350 0.02 2 317 32 32 LEU HG H 1.3390 0.02 1 318 32 32 LEU HD1 H 0.8660 0.02 2 319 32 32 LEU HD2 H 0.9400 0.02 2 320 32 32 LEU C C 173.0770 0.3 1 321 32 32 LEU CA C 56.6370 0.3 1 322 32 32 LEU CB C 43.3330 0.3 1 323 32 32 LEU CG C 28.2000 0.3 1 324 32 32 LEU CD1 C 25.0470 0.3 2 325 32 32 LEU CD2 C 23.8230 0.3 2 326 32 32 LEU N N 131.0590 0.3 1 327 33 33 VAL H H 9.0380 0.02 1 328 33 33 VAL HA H 4.7910 0.02 1 329 33 33 VAL HB H 1.9200 0.02 1 330 33 33 VAL HG1 H 0.8740 0.02 2 331 33 33 VAL C C 175.1230 0.3 1 332 33 33 VAL CA C 60.6560 0.3 1 333 33 33 VAL CB C 34.2050 0.3 1 334 33 33 VAL CG1 C 21.7370 0.3 2 335 33 33 VAL N N 127.1210 0.3 1 336 34 34 LYS H H 8.9600 0.02 1 337 34 34 LYS HA H 4.6600 0.02 1 338 34 34 LYS HB3 H 1.7340 0.02 2 339 34 34 LYS C C 175.6690 0.3 1 340 34 34 LYS CA C 55.1870 0.3 1 341 34 34 LYS CB C 33.1570 0.3 1 342 34 34 LYS N N 125.6900 0.3 1 343 35 35 VAL H H 9.3190 0.02 1 344 35 35 VAL HA H 4.4910 0.02 1 345 35 35 VAL HB H 1.9860 0.02 1 346 35 35 VAL HG1 H 0.7500 0.02 1 347 35 35 VAL HG2 H 0.6960 0.02 1 348 35 35 VAL C C 174.0800 0.3 1 349 35 35 VAL CA C 61.1350 0.3 1 350 35 35 VAL CB C 33.0200 0.3 1 351 35 35 VAL CG1 C 22.8620 0.3 1 352 35 35 VAL CG2 C 20.1310 0.3 1 353 35 35 VAL N N 127.0840 0.3 1 354 36 36 LYS H H 8.9750 0.02 1 355 36 36 LYS HA H 5.1680 0.02 1 356 36 36 LYS HB2 H 1.8340 0.02 2 357 36 36 LYS HB3 H 1.5820 0.02 2 358 36 36 LYS C C 176.2060 0.3 1 359 36 36 LYS CA C 55.3800 0.3 1 360 36 36 LYS CB C 34.4320 0.3 1 361 36 36 LYS N N 129.4210 0.3 1 362 37 37 VAL H H 9.2420 0.02 1 363 37 37 VAL HA H 5.3170 0.02 1 364 37 37 VAL HB H 1.8490 0.02 1 365 37 37 VAL HG1 H 0.7480 0.02 2 366 37 37 VAL HG2 H 0.6430 0.02 2 367 37 37 VAL C C 173.7160 0.3 1 368 37 37 VAL CA C 58.1330 0.3 1 369 37 37 VAL CB C 35.0470 0.3 1 370 37 37 VAL CG1 C 18.5700 0.3 2 371 37 37 VAL CG2 C 22.2380 0.3 2 372 37 37 VAL N N 120.0900 0.3 1 373 38 38 LEU H H 8.9490 0.02 1 374 38 38 LEU HA H 4.9530 0.02 1 375 38 38 LEU HB2 H 1.3570 0.02 2 376 38 38 LEU HB3 H 1.6860 0.02 2 377 38 38 LEU HG H 1.3390 0.02 1 378 38 38 LEU HD1 H 0.7850 0.02 2 379 38 38 LEU HD2 H 0.7300 0.02 2 380 38 38 LEU C C 177.2360 0.3 1 381 38 38 LEU CA C 53.1500 0.3 1 382 38 38 LEU CB C 43.9070 0.3 1 383 38 38 LEU CG C 27.4660 0.3 1 384 38 38 LEU CD1 C 25.4920 0.3 2 385 38 38 LEU CD2 C 24.0330 0.3 2 386 38 38 LEU N N 123.3770 0.3 1 387 39 39 LEU H H 9.3410 0.02 1 388 39 39 LEU HA H 4.3760 0.02 1 389 39 39 LEU HB2 H 2.0630 0.02 2 390 39 39 LEU HB3 H 1.6340 0.02 2 391 39 39 LEU HG H 1.6350 0.02 1 392 39 39 LEU HD1 H 0.8220 0.02 2 393 39 39 LEU HD2 H 0.6760 0.02 2 394 39 39 LEU C C 177.8980 0.3 1 395 39 39 LEU CA C 55.3320 0.3 1 396 39 39 LEU CB C 40.6950 0.3 1 397 39 39 LEU CG C 27.8560 0.3 1 398 39 39 LEU CD1 C 25.1250 0.3 2 399 39 39 LEU CD2 C 23.4860 0.3 2 400 39 39 LEU N N 127.6520 0.3 1 401 40 40 LYS H H 8.1730 0.02 1 402 40 40 LYS HA H 4.0220 0.02 1 403 40 40 LYS HB2 H 1.6920 0.02 2 404 40 40 LYS HB3 H 1.7950 0.02 2 405 40 40 LYS HG2 H 1.4540 0.02 2 406 40 40 LYS HG3 H 1.3960 0.02 2 407 40 40 LYS HD2 H 1.6490 0.02 2 408 40 40 LYS HE2 H 2.9330 0.02 2 409 40 40 LYS C C 179.0760 0.3 1 410 40 40 LYS CA C 58.7860 0.3 1 411 40 40 LYS CB C 32.7930 0.3 1 412 40 40 LYS CG C 24.9690 0.3 1 413 40 40 LYS CD C 28.9490 0.3 1 414 40 40 LYS CE C 42.1360 0.3 1 415 40 40 LYS N N 124.5300 0.3 1 416 41 41 GLN H H 9.1380 0.02 1 417 41 41 GLN HA H 4.0780 0.02 1 418 41 41 GLN HB2 H 2.1540 0.02 2 419 41 41 GLN HB3 H 1.9880 0.02 2 420 41 41 GLN HG2 H 2.3590 0.02 2 421 41 41 GLN HE21 H 6.9430 0.02 2 422 41 41 GLN HE22 H 7.5700 0.02 2 423 41 41 GLN C C 177.0070 0.3 1 424 41 41 GLN CA C 58.6780 0.3 1 425 41 41 GLN CB C 28.3510 0.3 1 426 41 41 GLN CG C 33.5530 0.3 1 427 41 41 GLN N N 116.3350 0.3 1 428 41 41 GLN NE2 N 112.2150 0.3 1 429 42 42 ASP H H 7.2080 0.02 1 430 42 42 ASP HA H 4.6830 0.02 1 431 42 42 ASP HB2 H 2.5310 0.02 2 432 42 42 ASP HB3 H 2.9270 0.02 2 433 42 42 ASP C C 175.9500 0.3 1 434 42 42 ASP CA C 53.3030 0.3 1 435 42 42 ASP CB C 41.9090 0.3 1 436 42 42 ASP N N 113.5390 0.3 1 437 43 43 ASN H H 8.1790 0.02 1 438 43 43 ASN HA H 4.4830 0.02 1 439 43 43 ASN HB2 H 3.1570 0.02 2 440 43 43 ASN HB3 H 2.7250 0.02 2 441 43 43 ASN HD21 H 6.7780 0.02 2 442 43 43 ASN HD22 H 7.5880 0.02 2 443 43 43 ASN C C 174.6560 0.3 1 444 43 43 ASN CA C 54.7220 0.3 1 445 43 43 ASN CB C 38.1430 0.3 1 446 43 43 ASN N N 115.5020 0.3 1 447 43 43 ASN ND2 N 112.5610 0.3 1 448 44 44 THR H H 7.6970 0.02 1 449 44 44 THR HA H 4.5300 0.02 1 450 44 44 THR HB H 4.1850 0.02 1 451 44 44 THR HG2 H 1.1500 0.02 1 452 44 44 THR C C 173.7360 0.3 1 453 44 44 THR CA C 61.0910 0.3 1 454 44 44 THR CB C 71.3339 0.3 1 455 44 44 THR CG2 C 21.5380 0.3 1 456 44 44 THR N N 109.3950 0.3 1 457 45 45 THR H H 8.3950 0.02 1 458 45 45 THR HA H 5.5730 0.02 1 459 45 45 THR HB H 3.9750 0.02 1 460 45 45 THR HG2 H 1.1430 0.02 1 461 45 45 THR C C 175.0190 0.3 1 462 45 45 THR CA C 60.8270 0.3 1 463 45 45 THR CB C 71.0753 0.3 1 464 45 45 THR CG2 C 21.6140 0.3 1 465 45 45 THR N N 114.4760 0.3 1 466 46 46 GLN H H 8.8160 0.02 1 467 46 46 GLN HA H 4.6310 0.02 1 468 46 46 GLN HB2 H 1.5920 0.02 2 469 46 46 GLN HB3 H 1.9830 0.02 2 470 46 46 GLN HG2 H 2.1980 0.02 2 471 46 46 GLN HE21 H 6.8360 0.02 2 472 46 46 GLN HE22 H 7.3100 0.02 2 473 46 46 GLN C C 172.9750 0.3 1 474 46 46 GLN CA C 54.3700 0.3 1 475 46 46 GLN CB C 32.5530 0.3 1 476 46 46 GLN CG C 33.5660 0.3 1 477 46 46 GLN N N 122.6210 0.3 1 478 46 46 GLN NE2 N 110.8420 0.3 1 479 47 47 LEU H H 8.5780 0.02 1 480 47 47 LEU HA H 5.1900 0.02 1 481 47 47 LEU HB2 H 1.7390 0.02 2 482 47 47 LEU HB3 H 1.4460 0.02 2 483 47 47 LEU HG H 1.4680 0.02 1 484 47 47 LEU HD1 H 0.8610 0.02 2 485 47 47 LEU HD2 H 0.8290 0.02 2 486 47 47 LEU C C 176.5250 0.3 1 487 47 47 LEU CA C 53.8180 0.3 1 488 47 47 LEU CB C 43.1730 0.3 1 489 47 47 LEU CG C 27.2980 0.3 1 490 47 47 LEU CD1 C 24.8810 0.3 2 491 47 47 LEU CD2 C 24.3980 0.3 2 492 47 47 LEU N N 125.0350 0.3 1 493 48 48 VAL H H 9.2170 0.02 1 494 48 48 VAL HA H 4.8390 0.02 1 495 48 48 VAL HB H 2.2730 0.02 1 496 48 48 VAL HG1 H 0.6690 0.02 2 497 48 48 VAL HG2 H 0.8150 0.02 2 498 48 48 VAL C C 174.7210 0.3 1 499 48 48 VAL CA C 58.8350 0.3 1 500 48 48 VAL CB C 35.4560 0.3 1 501 48 48 VAL CG1 C 18.7260 0.3 2 502 48 48 VAL CG2 C 21.7700 0.3 2 503 48 48 VAL N N 120.2140 0.3 1 504 49 49 GLN H H 8.3520 0.02 1 505 49 49 GLN HA H 5.1850 0.02 1 506 49 49 GLN HB2 H 2.1700 0.02 2 507 49 49 GLN HB3 H 2.2960 0.02 2 508 49 49 GLN HG2 H 2.5100 0.02 2 509 49 49 GLN HG3 H 2.3160 0.02 2 510 49 49 GLN HE21 H 6.8420 0.02 2 511 49 49 GLN HE22 H 8.1620 0.02 2 512 49 49 GLN C C 177.9050 0.3 1 513 49 49 GLN CA C 54.9000 0.3 1 514 49 49 GLN CB C 30.6560 0.3 1 515 49 49 GLN CG C 34.9570 0.3 1 516 49 49 GLN N N 118.6500 0.3 1 517 49 49 GLN NE2 N 113.3790 0.3 1 518 50 50 ASP H H 8.7400 0.02 1 519 50 50 ASP HA H 3.9920 0.02 1 520 50 50 ASP HB2 H 2.7480 0.02 2 521 50 50 ASP HB3 H 2.6230 0.02 2 522 50 50 ASP C C 176.5380 0.3 1 523 50 50 ASP CA C 57.9770 0.3 1 524 50 50 ASP CB C 40.9010 0.3 1 525 50 50 ASP N N 119.6270 0.3 1 526 51 51 ASP H H 8.2750 0.02 1 527 51 51 ASP HA H 4.5600 0.02 1 528 51 51 ASP HB2 H 2.6720 0.02 2 529 51 51 ASP HB3 H 2.9050 0.02 2 530 51 51 ASP C C 177.1720 0.3 1 531 51 51 ASP CA C 55.2370 0.3 1 532 51 51 ASP CB C 39.3580 0.3 1 533 51 51 ASP N N 116.6880 0.3 1 534 52 52 GLN H H 8.1150 0.02 1 535 52 52 GLN HA H 4.4500 0.02 1 536 52 52 GLN HB2 H 2.5300 0.02 2 537 52 52 GLN HB3 H 2.2590 0.02 2 538 52 52 GLN HG2 H 2.3930 0.02 2 539 52 52 GLN HE21 H 7.6480 0.02 2 540 52 52 GLN HE22 H 6.9430 0.02 2 541 52 52 GLN C C 174.6220 0.3 1 542 52 52 GLN CA C 55.2210 0.3 1 543 52 52 GLN CB C 29.8990 0.3 1 544 52 52 GLN CG C 34.8790 0.3 1 545 52 52 GLN N N 117.8400 0.3 1 546 52 52 GLN NE2 N 113.6420 0.3 1 547 53 53 VAL H H 7.6100 0.02 1 548 53 53 VAL HA H 4.5970 0.02 1 549 53 53 VAL HB H 2.1060 0.02 1 550 53 53 VAL HG1 H 0.6750 0.02 1 551 53 53 VAL HG2 H 0.7560 0.02 1 552 53 53 VAL C C 174.9350 0.3 1 553 53 53 VAL CA C 61.6550 0.3 1 554 53 53 VAL CB C 33.9400 0.3 1 555 53 53 VAL CG1 C 21.7360 0.3 1 556 53 53 VAL CG2 C 22.1320 0.3 1 557 53 53 VAL N N 118.8820 0.3 1 558 54 54 LYS H H 9.3150 0.02 1 559 54 54 LYS HA H 4.7310 0.02 1 560 54 54 LYS HB2 H 1.7150 0.02 2 561 54 54 LYS HB3 H 1.6430 0.02 2 562 54 54 LYS HG2 H 1.1890 0.02 2 563 54 54 LYS HD2 H 1.3300 0.02 2 564 54 54 LYS HE2 H 2.5010 0.02 2 565 54 54 LYS HE3 H 2.3920 0.02 2 566 54 54 LYS C C 175.3450 0.3 1 567 54 54 LYS CA C 55.3590 0.3 1 568 54 54 LYS CB C 33.8280 0.3 1 569 54 54 LYS CG C 24.3450 0.3 1 570 54 54 LYS CD C 29.1830 0.3 1 571 54 54 LYS CE C 41.5900 0.3 1 572 54 54 LYS N N 128.2460 0.3 1 573 55 55 GLY H H 8.4070 0.02 1 574 55 55 GLY HA2 H 4.6560 0.02 2 575 55 55 GLY HA3 H 3.8660 0.02 2 576 55 55 GLY C C 178.2700 0.3 1 577 55 55 GLY CA C 43.5340 0.3 1 578 55 55 GLY N N 116.4070 0.3 1 579 56 56 PRO HA H 4.2730 0.02 1 580 56 56 PRO HB2 H 1.6310 0.02 2 581 56 56 PRO HB3 H 2.1570 0.02 2 582 56 56 PRO HG2 H 1.9970 0.02 2 583 56 56 PRO HG3 H 2.1010 0.02 2 584 56 56 PRO HD2 H 3.5560 0.02 2 585 56 56 PRO HD3 H 3.6160 0.02 2 586 56 56 PRO C C 175.5910 0.3 1 587 56 56 PRO CA C 62.4410 0.3 1 588 56 56 PRO CB C 32.2220 0.3 1 589 56 56 PRO CG C 27.3100 0.3 1 590 56 56 PRO CD C 49.4100 0.3 1 591 57 57 LEU H H 8.1680 0.02 1 592 57 57 LEU HA H 4.2700 0.02 1 593 57 57 LEU HB2 H 1.2050 0.02 2 594 57 57 LEU HB3 H 1.8200 0.02 2 595 57 57 LEU HG H 1.8020 0.02 1 596 57 57 LEU HD1 H 0.7530 0.02 2 597 57 57 LEU HD2 H 0.9630 0.02 2 598 57 57 LEU C C 175.0910 0.3 1 599 57 57 LEU CA C 52.3720 0.3 1 600 57 57 LEU CB C 39.8730 0.3 1 601 57 57 LEU CG C 26.0620 0.3 1 602 57 57 LEU CD1 C 23.4080 0.3 2 603 57 57 LEU CD2 C 26.0620 0.3 2 604 57 57 LEU N N 119.9700 0.3 1 605 58 58 ARG H H 7.2730 0.02 1 606 58 58 ARG HA H 4.4900 0.02 1 607 58 58 ARG HB2 H 1.5050 0.02 2 608 58 58 ARG HB3 H 1.5700 0.02 2 609 58 58 ARG HG2 H 1.4790 0.02 2 610 58 58 ARG HD2 H 3.1570 0.02 2 611 58 58 ARG C C 174.9540 0.3 1 612 58 58 ARG CA C 54.3510 0.3 1 613 58 58 ARG CB C 33.5350 0.3 1 614 58 58 ARG CG C 27.1540 0.3 1 615 58 58 ARG CD C 43.2290 0.3 1 616 58 58 ARG N N 123.1150 0.3 1 617 59 59 VAL H H 9.0020 0.02 1 618 59 59 VAL HA H 3.2620 0.02 1 619 59 59 VAL HB H 1.9070 0.02 1 620 59 59 VAL HG1 H 0.9020 0.02 1 621 59 59 VAL HG2 H 0.9540 0.02 1 622 59 59 VAL C C 177.3940 0.3 1 623 59 59 VAL CA C 66.2120 0.3 1 624 59 59 VAL CB C 30.9770 0.3 1 625 59 59 VAL CG1 C 21.3020 0.3 1 626 59 59 VAL CG2 C 23.0960 0.3 1 627 59 59 VAL N N 125.7150 0.3 1 628 60 60 GLY H H 9.1270 0.02 1 629 60 60 GLY HA2 H 4.3850 0.02 2 630 60 60 GLY HA3 H 3.5360 0.02 2 631 60 60 GLY C C 173.5290 0.3 1 632 60 60 GLY CA C 44.7440 0.3 1 633 60 60 GLY N N 116.6350 0.3 1 634 61 61 ALA H H 7.9790 0.02 1 635 61 61 ALA HA H 4.2980 0.02 1 636 61 61 ALA HB H 1.4380 0.02 1 637 61 61 ALA C C 176.2200 0.3 1 638 61 61 ALA CA C 52.5560 0.3 1 639 61 61 ALA CB C 20.5090 0.3 1 640 61 61 ALA N N 122.9300 0.3 1 641 62 62 ILE H H 8.0310 0.02 1 642 62 62 ILE HA H 4.7790 0.02 1 643 62 62 ILE HB H 1.8130 0.02 1 644 62 62 ILE HG12 H 1.6820 0.02 2 645 62 62 ILE HG13 H 1.1750 0.02 2 646 62 62 ILE HG2 H 0.9650 0.02 1 647 62 62 ILE HD1 H 0.9130 0.02 1 648 62 62 ILE C C 176.6550 0.3 1 649 62 62 ILE CA C 60.9220 0.3 1 650 62 62 ILE CB C 37.3800 0.3 1 651 62 62 ILE CG1 C 28.2460 0.3 1 652 62 62 ILE CG2 C 17.7120 0.3 1 653 62 62 ILE CD1 C 13.1361 0.3 1 654 62 62 ILE N N 120.9450 0.3 1 655 63 63 VAL H H 9.1670 0.02 1 656 63 63 VAL HA H 4.9560 0.02 1 657 63 63 VAL HB H 2.1530 0.02 1 658 63 63 VAL HG1 H 0.8080 0.02 1 659 63 63 VAL HG2 H 0.4840 0.02 1 660 63 63 VAL C C 174.5340 0.3 1 661 63 63 VAL CA C 58.9740 0.3 1 662 63 63 VAL CB C 35.7710 0.3 1 663 63 63 VAL CG1 C 22.0040 0.3 1 664 63 63 VAL CG2 C 17.2440 0.3 1 665 63 63 VAL N N 121.1150 0.3 1 666 64 64 GLU H H 8.3770 0.02 1 667 64 64 GLU HA H 5.2890 0.02 1 668 64 64 GLU HB2 H 1.8540 0.02 2 669 64 64 GLU HB3 H 2.0090 0.02 2 670 64 64 GLU HG2 H 2.2380 0.02 2 671 64 64 GLU HG3 H 2.0200 0.02 2 672 64 64 GLU C C 176.1870 0.3 1 673 64 64 GLU CA C 54.5430 0.3 1 674 64 64 GLU CB C 33.6200 0.3 1 675 64 64 GLU CG C 37.2200 0.3 1 676 64 64 GLU N N 117.5580 0.3 1 677 65 65 THR H H 9.3590 0.02 1 678 65 65 THR HA H 5.4500 0.02 1 679 65 65 THR HB H 3.8220 0.02 1 680 65 65 THR HG2 H 0.9600 0.02 1 681 65 65 THR C C 173.1050 0.3 1 682 65 65 THR CA C 59.4300 0.3 1 683 65 65 THR CB C 71.1122 0.3 1 684 65 65 THR CG2 C 21.7700 0.3 1 685 65 65 THR N N 115.9750 0.3 1 686 66 66 ARG H H 8.5480 0.02 1 687 66 66 ARG HA H 4.1520 0.02 1 688 66 66 ARG HB2 H 1.3660 0.02 2 689 66 66 ARG HB3 H 1.6080 0.02 2 690 66 66 ARG HG2 H 0.9600 0.02 2 691 66 66 ARG HG3 H 1.4190 0.02 2 692 66 66 ARG HD2 H 2.9260 0.02 2 693 66 66 ARG HD3 H 3.0100 0.02 2 694 66 66 ARG C C 177.0790 0.3 1 695 66 66 ARG CA C 56.1240 0.3 1 696 66 66 ARG CB C 30.9220 0.3 1 697 66 66 ARG CG C 27.1540 0.3 1 698 66 66 ARG CD C 43.3850 0.3 1 699 66 66 ARG N N 127.0210 0.3 1 700 67 67 THR H H 8.5340 0.02 1 701 67 67 THR HA H 4.6320 0.02 1 702 67 67 THR HB H 4.4910 0.02 1 703 67 67 THR HG2 H 1.1090 0.02 1 704 67 67 THR C C 177.2140 0.3 1 705 67 67 THR CA C 60.8080 0.3 1 706 67 67 THR CB C 70.5950 0.3 1 707 67 67 THR CG2 C 21.9340 0.3 1 708 67 67 THR N N 117.8400 0.3 1 709 68 68 SER HA H 3.9560 0.02 1 710 68 68 SER HB3 H 4.1390 0.02 2 711 68 68 SER C C 175.1340 0.3 1 712 68 68 SER CA C 61.5430 0.3 1 713 68 68 SER CB C 62.9340 0.3 1 714 69 69 ASP H H 7.9010 0.02 1 715 69 69 ASP HA H 4.6500 0.02 1 716 69 69 ASP HB2 H 2.9840 0.02 2 717 69 69 ASP HB3 H 2.5840 0.02 2 718 69 69 ASP C C 177.0780 0.3 1 719 69 69 ASP CA C 53.4190 0.3 1 720 69 69 ASP CB C 40.2200 0.3 1 721 69 69 ASP N N 118.7280 0.3 1 722 70 70 GLY H H 8.1420 0.02 1 723 70 70 GLY HA2 H 3.4740 0.02 2 724 70 70 GLY HA3 H 4.3030 0.02 2 725 70 70 GLY C C 174.0470 0.3 1 726 70 70 GLY CA C 45.0670 0.3 1 727 70 70 GLY N N 108.5730 0.3 1 728 71 71 SER H H 7.9950 0.02 1 729 71 71 SER HA H 4.4690 0.02 1 730 71 71 SER HB2 H 4.6410 0.02 2 731 71 71 SER HB3 H 3.9030 0.02 2 732 71 71 SER C C 173.3260 0.3 1 733 71 71 SER CA C 57.9660 0.3 1 734 71 71 SER CB C 64.1500 0.3 1 735 71 71 SER N N 117.0240 0.3 1 736 72 72 PHE H H 8.8270 0.02 1 737 72 72 PHE HA H 5.2760 0.02 1 738 72 72 PHE HB3 H 2.8910 0.02 2 739 72 72 PHE HD1 H 7.0830 0.02 1 740 72 72 PHE HD2 H 7.0830 0.02 1 741 72 72 PHE HE1 H 7.2840 0.02 1 742 72 72 PHE HE2 H 7.2840 0.02 1 743 72 72 PHE C C 176.3920 0.3 1 744 72 72 PHE CA C 57.8290 0.3 1 745 72 72 PHE CB C 41.4890 0.3 1 746 72 72 PHE CD1 C 131.7170 0.3 1 747 72 72 PHE CD2 C 131.7170 0.3 1 748 72 72 PHE CE1 C 131.7650 0.3 2 749 72 72 PHE CE2 C 131.7650 0.3 2 750 72 72 PHE N N 120.4030 0.3 1 751 73 73 GLN H H 9.0810 0.02 1 752 73 73 GLN HA H 4.8870 0.02 1 753 73 73 GLN HB2 H 2.1360 0.02 2 754 73 73 GLN HB3 H 1.8290 0.02 2 755 73 73 GLN HG2 H 2.3420 0.02 2 756 73 73 GLN HG3 H 2.2460 0.02 2 757 73 73 GLN HE21 H 7.5630 0.02 2 758 73 73 GLN HE22 H 6.8590 0.02 2 759 73 73 GLN C C 174.9160 0.3 1 760 73 73 GLN CA C 53.6570 0.3 1 761 73 73 GLN CB C 32.6570 0.3 1 762 73 73 GLN CG C 33.4920 0.3 1 763 73 73 GLN N N 119.8000 0.3 1 764 73 73 GLN NE2 N 112.4960 0.3 1 765 74 74 GLU H H 8.8250 0.02 1 766 74 74 GLU HA H 4.7730 0.02 1 767 74 74 GLU HB2 H 1.9600 0.02 2 768 74 74 GLU HB3 H 2.1110 0.02 2 769 74 74 GLU HG2 H 2.4320 0.02 2 770 74 74 GLU HG3 H 2.1910 0.02 2 771 74 74 GLU C C 176.4010 0.3 1 772 74 74 GLU CA C 57.4120 0.3 1 773 74 74 GLU CB C 31.2530 0.3 1 774 74 74 GLU CG C 37.6200 0.3 1 775 74 74 GLU N N 122.6210 0.3 1 776 75 75 ALA H H 9.3240 0.02 1 777 75 75 ALA HA H 5.1750 0.02 1 778 75 75 ALA HB H 1.1790 0.02 1 779 75 75 ALA C C 174.1600 0.3 1 780 75 75 ALA CA C 50.9780 0.3 1 781 75 75 ALA CB C 24.5030 0.3 1 782 75 75 ALA N N 127.7630 0.3 1 783 76 76 ILE H H 8.6490 0.02 1 784 76 76 ILE HA H 5.2220 0.02 1 785 76 76 ILE HB H 1.6030 0.02 1 786 76 76 ILE HG12 H 1.4870 0.02 2 787 76 76 ILE HG13 H 1.0120 0.02 2 788 76 76 ILE HG2 H 0.8170 0.02 1 789 76 76 ILE HD1 H 0.8640 0.02 1 790 76 76 ILE C C 177.1500 0.3 1 791 76 76 ILE CA C 59.1170 0.3 1 792 76 76 ILE CB C 41.8900 0.3 1 793 76 76 ILE CG1 C 28.5910 0.3 1 794 76 76 ILE CG2 C 17.4590 0.3 1 795 76 76 ILE CD1 C 13.9635 0.3 1 796 76 76 ILE N N 118.3350 0.3 1 797 77 77 ILE H H 8.3490 0.02 1 798 77 77 ILE HA H 4.0980 0.02 1 799 77 77 ILE HB H 2.2410 0.02 1 800 77 77 ILE HG12 H 1.8500 0.02 2 801 77 77 ILE HG2 H 0.7310 0.02 1 802 77 77 ILE HD1 H 1.0120 0.02 1 803 77 77 ILE C C 176.7390 0.3 1 804 77 77 ILE CA C 63.9870 0.3 1 805 77 77 ILE CB C 37.0240 0.3 1 806 77 77 ILE CG1 C 28.4350 0.3 1 807 77 77 ILE CG2 C 18.1820 0.3 1 808 77 77 ILE CD1 C 15.0392 0.3 1 809 77 77 ILE N N 124.6190 0.3 1 810 78 78 SER H H 9.7100 0.02 1 811 78 78 SER HA H 4.6990 0.02 1 812 78 78 SER HB2 H 3.6370 0.02 2 813 78 78 SER HB3 H 3.6900 0.02 2 814 78 78 SER C C 174.1180 0.3 1 815 78 78 SER CA C 58.9070 0.3 1 816 78 78 SER CB C 64.7270 0.3 1 817 78 78 SER N N 126.7800 0.3 1 818 79 79 LYS H H 7.8680 0.02 1 819 79 79 LYS HA H 4.3820 0.02 1 820 79 79 LYS HB2 H 1.8260 0.02 2 821 79 79 LYS HB3 H 1.6790 0.02 2 822 79 79 LYS HG2 H 1.4560 0.02 2 823 79 79 LYS HG3 H 1.3790 0.02 2 824 79 79 LYS C C 173.0100 0.3 1 825 79 79 LYS CA C 56.6730 0.3 1 826 79 79 LYS CB C 36.8650 0.3 1 827 79 79 LYS CG C 25.0880 0.3 1 828 79 79 LYS CD C 29.2910 0.3 1 829 79 79 LYS CE C 42.2910 0.3 1 830 79 79 LYS N N 121.1770 0.3 1 831 80 80 LEU H H 8.6920 0.02 1 832 80 80 LEU HA H 5.0260 0.02 1 833 80 80 LEU HB2 H 1.3040 0.02 2 834 80 80 LEU HB3 H 1.6740 0.02 2 835 80 80 LEU HG H 0.8900 0.02 1 836 80 80 LEU HD1 H 0.7700 0.02 2 837 80 80 LEU C C 175.8190 0.3 1 838 80 80 LEU CA C 54.1060 0.3 1 839 80 80 LEU CB C 45.5530 0.3 1 840 80 80 LEU CG C 27.2700 0.3 1 841 80 80 LEU CD1 C 26.4110 0.3 2 842 80 80 LEU N N 125.1020 0.3 1 843 81 81 THR H H 8.7500 0.02 1 844 81 81 THR HA H 4.5460 0.02 1 845 81 81 THR HB H 3.9230 0.02 1 846 81 81 THR HG2 H 1.1690 0.02 1 847 81 81 THR C C 173.0180 0.3 1 848 81 81 THR CA C 61.7540 0.3 1 849 81 81 THR CB C 71.8511 0.3 1 850 81 81 THR CG2 C 21.3190 0.3 1 851 81 81 THR N N 118.1060 0.3 1 852 82 82 ASP H H 9.3390 0.02 1 853 82 82 ASP HA H 4.8400 0.02 1 854 82 82 ASP CA C 54.8290 0.3 1 855 82 82 ASP CB C 39.6340 0.3 1 856 82 82 ASP N N 126.5990 0.3 1 857 83 83 ALA H H 9.1130 0.02 1 858 83 83 ALA HA H 4.6800 0.02 1 859 83 83 ALA HB H 1.2530 0.02 1 860 83 83 ALA C C 176.5600 0.3 1 861 83 83 ALA CA C 50.7760 0.3 1 862 83 83 ALA CB C 18.9060 0.3 1 863 83 83 ALA N N 136.1520 0.3 1 864 84 84 SER H H 8.3170 0.02 1 865 84 84 SER HA H 4.4750 0.02 1 866 84 84 SER HB2 H 3.1790 0.02 2 867 84 84 SER HB3 H 3.6560 0.02 2 868 84 84 SER HG H 6.2200 0.02 1 869 84 84 SER C C 173.8080 0.3 1 870 84 84 SER CA C 59.7660 0.3 1 871 84 84 SER CB C 63.3510 0.3 1 872 84 84 SER N N 116.3690 0.3 1 873 85 85 TRP H H 8.0770 0.02 1 874 85 85 TRP HA H 4.7990 0.02 1 875 85 85 TRP HB3 H 2.8840 0.02 2 876 85 85 TRP HD1 H 7.1920 0.02 1 877 85 85 TRP HE1 H 10.1400 0.02 1 878 85 85 TRP HE3 H 7.3460 0.02 1 879 85 85 TRP HZ2 H 7.4770 0.02 1 880 85 85 TRP HZ3 H 7.0890 0.02 1 881 85 85 TRP HH2 H 7.2180 0.02 1 882 85 85 TRP C C 175.6080 0.3 1 883 85 85 TRP CA C 56.5580 0.3 1 884 85 85 TRP CB C 31.8650 0.3 1 885 85 85 TRP CD1 C 127.5990 0.3 1 886 85 85 TRP CE3 C 120.5980 0.3 1 887 85 85 TRP CZ2 C 114.6650 0.3 1 888 85 85 TRP CZ3 C 122.3100 0.3 1 889 85 85 TRP CH2 C 124.8940 0.3 1 890 85 85 TRP N N 119.7230 0.3 1 891 85 85 TRP NE1 N 129.5540 0.3 1 892 86 86 TYR H H 9.6100 0.02 1 893 86 86 TYR HA H 4.9920 0.02 1 894 86 86 TYR HB2 H 2.8410 0.02 2 895 86 86 TYR HB3 H 2.5450 0.02 2 896 86 86 TYR HD1 H 6.9200 0.02 1 897 86 86 TYR HD2 H 6.9200 0.02 1 898 86 86 TYR HE1 H 6.7300 0.02 1 899 86 86 TYR HE2 H 6.7300 0.02 1 900 86 86 TYR CA C 57.6390 0.3 1 901 86 86 TYR CB C 40.7420 0.3 1 902 86 86 TYR CD1 C 133.3400 0.3 1 903 86 86 TYR CD2 C 133.3400 0.3 1 904 86 86 TYR CE1 C 117.7100 0.3 1 905 86 86 TYR CE2 C 117.7100 0.3 1 906 86 86 TYR N N 124.3090 0.3 1 907 87 87 THR H H 9.3250 0.02 1 908 87 87 THR HA H 5.3100 0.02 1 909 87 87 THR HB H 4.0990 0.02 1 910 87 87 THR HG2 H 1.1280 0.02 1 911 87 87 THR C C 174.2900 0.3 1 912 87 87 THR CA C 62.6600 0.3 1 913 87 87 THR CB C 68.8217 0.3 1 914 87 87 THR CG2 C 21.7360 0.3 1 915 87 87 THR N N 122.6570 0.3 1 916 88 88 VAL H H 9.4420 0.02 1 917 88 88 VAL HA H 5.0830 0.02 1 918 88 88 VAL HB H 1.4900 0.02 1 919 88 88 VAL HG1 H 0.5400 0.02 1 920 88 88 VAL HG2 H 0.3560 0.02 1 921 88 88 VAL C C 172.7260 0.3 1 922 88 88 VAL CA C 58.0710 0.3 1 923 88 88 VAL CB C 33.4040 0.3 1 924 88 88 VAL CG1 C 21.9260 0.3 1 925 88 88 VAL CG2 C 19.4290 0.3 1 926 88 88 VAL N N 123.6130 0.3 1 927 89 89 VAL H H 8.4350 0.02 1 928 89 89 VAL HA H 4.9180 0.02 1 929 89 89 VAL HB H 1.7750 0.02 1 930 89 89 VAL HG1 H 0.9930 0.02 2 931 89 89 VAL HG2 H 1.0000 0.02 2 932 89 89 VAL C C 176.1760 0.3 1 933 89 89 VAL CA C 59.3600 0.3 1 934 89 89 VAL CB C 34.7820 0.3 1 935 89 89 VAL CG1 C 20.1310 0.3 2 936 89 89 VAL CG2 C 21.8480 0.3 2 937 89 89 VAL N N 119.2860 0.3 1 938 90 90 PHE H H 8.7350 0.02 1 939 90 90 PHE HA H 4.7470 0.02 1 940 90 90 PHE HB2 H 2.8180 0.02 2 941 90 90 PHE HB3 H 3.2950 0.02 2 942 90 90 PHE HD1 H 6.9660 0.02 1 943 90 90 PHE HD2 H 6.9660 0.02 1 944 90 90 PHE HE1 H 6.7840 0.02 1 945 90 90 PHE HE2 H 6.7840 0.02 1 946 90 90 PHE C C 177.7310 0.3 1 947 90 90 PHE CA C 58.0650 0.3 1 948 90 90 PHE CB C 40.3170 0.3 1 949 90 90 PHE CD1 C 132.1350 0.3 1 950 90 90 PHE CD2 C 132.1350 0.3 1 951 90 90 PHE CE1 C 130.6230 0.3 1 952 90 90 PHE CE2 C 130.6230 0.3 1 953 90 90 PHE N N 127.9340 0.3 1 954 91 91 ASP H H 9.2760 0.02 1 955 91 91 ASP HA H 4.3570 0.02 1 956 91 91 ASP HB2 H 2.7760 0.02 2 957 91 91 ASP HB3 H 2.8430 0.02 2 958 91 91 ASP CA C 57.4710 0.3 1 959 91 91 ASP CB C 40.6590 0.3 1 960 91 91 ASP N N 121.6030 0.3 1 961 92 92 ASP H H 8.0180 0.02 1 962 92 92 ASP HA H 4.5740 0.02 1 963 92 92 ASP HB2 H 2.7070 0.02 2 964 92 92 ASP HB3 H 3.0720 0.02 2 965 92 92 ASP C C 177.6180 0.3 1 966 92 92 ASP CA C 53.4760 0.3 1 967 92 92 ASP CB C 40.1280 0.3 1 968 92 92 ASP N N 116.2730 0.3 1 969 93 93 GLY H H 8.3470 0.02 1 970 93 93 GLY HA2 H 3.5750 0.02 2 971 93 93 GLY HA3 H 4.3490 0.02 2 972 93 93 GLY C C 174.4060 0.3 1 973 93 93 GLY CA C 45.0530 0.3 1 974 93 93 GLY N N 109.0420 0.3 1 975 94 94 ASP H H 8.2740 0.02 1 976 94 94 ASP HA H 4.7020 0.02 1 977 94 94 ASP HB2 H 3.0070 0.02 2 978 94 94 ASP HB3 H 2.6750 0.02 2 979 94 94 ASP C C 174.6200 0.3 1 980 94 94 ASP CA C 54.7450 0.3 1 981 94 94 ASP CB C 41.3030 0.3 1 982 94 94 ASP N N 123.1820 0.3 1 983 95 95 GLU H H 8.3870 0.02 1 984 95 95 GLU HA H 5.7860 0.02 1 985 95 95 GLU HB2 H 1.7750 0.02 2 986 95 95 GLU HB3 H 1.8460 0.02 2 987 95 95 GLU HG2 H 2.2540 0.02 2 988 95 95 GLU HG3 H 2.0950 0.02 2 989 95 95 GLU C C 177.6400 0.3 1 990 95 95 GLU CA C 54.2310 0.3 1 991 95 95 GLU CB C 33.8650 0.3 1 992 95 95 GLU CG C 36.2060 0.3 1 993 95 95 GLU N N 118.1490 0.3 1 994 96 96 ARG H H 8.5190 0.02 1 995 96 96 ARG HA H 4.8650 0.02 1 996 96 96 ARG HB2 H 1.8800 0.02 2 997 96 96 ARG HB3 H 1.6490 0.02 2 998 96 96 ARG HD2 H 3.5840 0.02 2 999 96 96 ARG HD3 H 3.2970 0.02 2 1000 96 96 ARG C C 174.7210 0.3 1 1001 96 96 ARG CA C 54.0260 0.3 1 1002 96 96 ARG CB C 35.1780 0.3 1 1003 96 96 ARG CG C 27.3880 0.3 1 1004 96 96 ARG CD C 43.0730 0.3 1 1005 96 96 ARG N N 119.8340 0.3 1 1006 97 97 THR H H 9.0080 0.02 1 1007 97 97 THR HA H 5.4410 0.02 1 1008 97 97 THR HB H 3.9380 0.02 1 1009 97 97 THR HG2 H 1.1700 0.02 1 1010 97 97 THR C C 174.0230 0.3 1 1011 97 97 THR CA C 62.8040 0.3 1 1012 97 97 THR CB C 69.4867 0.3 1 1013 97 97 THR CG2 C 22.2380 0.3 1 1014 97 97 THR N N 120.3850 0.3 1 1015 98 98 LEU H H 9.7030 0.02 1 1016 98 98 LEU HA H 5.1900 0.02 1 1017 98 98 LEU HB2 H 1.9200 0.02 2 1018 98 98 LEU HB3 H 1.6550 0.02 2 1019 98 98 LEU HG H 0.9210 0.02 1 1020 98 98 LEU HD1 H 1.1320 0.02 2 1021 98 98 LEU C C 175.8440 0.3 1 1022 98 98 LEU CA C 53.9070 0.3 1 1023 98 98 LEU CB C 47.9070 0.3 1 1024 98 98 LEU CG C 26.8780 0.3 1 1025 98 98 LEU CD1 C 23.7650 0.3 2 1026 98 98 LEU N N 128.2260 0.3 1 1027 99 99 ARG H H 8.6810 0.02 1 1028 99 99 ARG HA H 4.6180 0.02 1 1029 99 99 ARG HB2 H 2.1470 0.02 2 1030 99 99 ARG HB3 H 1.7070 0.02 2 1031 99 99 ARG HG2 H 1.3260 0.02 2 1032 99 99 ARG HG3 H 1.1470 0.02 2 1033 99 99 ARG HD2 H 2.3300 0.02 2 1034 99 99 ARG HD3 H 2.5940 0.02 2 1035 99 99 ARG C C 178.1080 0.3 1 1036 99 99 ARG CA C 53.4160 0.3 1 1037 99 99 ARG CB C 31.2620 0.3 1 1038 99 99 ARG CG C 26.4890 0.3 1 1039 99 99 ARG CD C 41.7460 0.3 1 1040 99 99 ARG N N 118.4180 0.3 1 1041 100 100 ARG H H 9.9520 0.02 1 1042 100 100 ARG HA H 3.8350 0.02 1 1043 100 100 ARG C C 177.7290 0.3 1 1044 100 100 ARG CA C 57.8990 0.3 1 1045 100 100 ARG CB C 30.2140 0.3 1 1046 100 100 ARG N N 120.5660 0.3 1 1047 101 101 THR H H 7.4200 0.02 1 1048 101 101 THR HA H 4.2830 0.02 1 1049 101 101 THR HB H 4.4830 0.02 1 1050 101 101 THR HG2 H 1.3530 0.02 1 1051 101 101 THR C C 176.1690 0.3 1 1052 101 101 THR CA C 62.9610 0.3 1 1053 101 101 THR CB C 68.5631 0.3 1 1054 101 101 THR CG2 C 22.5500 0.3 1 1055 101 101 THR N N 102.8960 0.3 1 1056 102 102 SER H H 7.8820 0.02 1 1057 102 102 SER HA H 4.7620 0.02 1 1058 102 102 SER HB2 H 4.1120 0.02 2 1059 102 102 SER HB3 H 4.4430 0.02 2 1060 102 102 SER C C 171.8560 0.3 1 1061 102 102 SER CA C 59.2750 0.3 1 1062 102 102 SER CB C 64.9450 0.3 1 1063 102 102 SER N N 116.8550 0.3 1 1064 103 103 LEU H H 7.9470 0.02 1 1065 103 103 LEU HA H 5.2010 0.02 1 1066 103 103 LEU HB2 H 1.0400 0.02 2 1067 103 103 LEU HB3 H 1.7670 0.02 2 1068 103 103 LEU HD1 H 0.6010 0.02 2 1069 103 103 LEU HD2 H 0.3170 0.02 2 1070 103 103 LEU C C 175.9800 0.3 1 1071 103 103 LEU CA C 53.4490 0.3 1 1072 103 103 LEU CB C 44.7270 0.3 1 1073 103 103 LEU CD1 C 24.8910 0.3 2 1074 103 103 LEU CD2 C 26.0610 0.3 2 1075 103 103 LEU N N 119.2860 0.3 1 1076 104 104 CYS H H 8.8630 0.02 1 1077 104 104 CYS HA H 4.8190 0.02 1 1078 104 104 CYS HB2 H 2.7420 0.02 2 1079 104 104 CYS HB3 H 2.5970 0.02 2 1080 104 104 CYS C C 174.2840 0.3 1 1081 104 104 CYS CA C 57.1060 0.3 1 1082 104 104 CYS CB C 29.8030 0.3 1 1083 104 104 CYS N N 118.9600 0.3 1 1084 105 105 LEU H H 8.9680 0.02 1 1085 105 105 LEU HA H 4.4040 0.02 1 1086 105 105 LEU HB3 H 1.6200 0.02 2 1087 105 105 LEU HG H 1.6230 0.02 1 1088 105 105 LEU HD1 H 0.8220 0.02 2 1089 105 105 LEU HD2 H 0.9200 0.02 2 1090 105 105 LEU CA C 55.0000 0.3 1 1091 105 105 LEU CB C 41.9000 0.3 1 1092 105 105 LEU CG C 27.0760 0.3 1 1093 105 105 LEU CD1 C 23.4660 0.3 2 1094 105 105 LEU CD2 C 24.9700 0.3 2 1095 105 105 LEU N N 125.7150 0.3 1 1096 106 106 LYS HA H 4.3010 0.02 1 1097 106 106 LYS HB2 H 1.8990 0.02 2 1098 106 106 LYS C C 177.3390 0.3 1 1099 106 106 LYS CA C 57.7120 0.3 1 1100 106 106 LYS CB C 32.4410 0.3 1 1101 107 107 GLY H H 8.6430 0.02 1 1102 107 107 GLY C C 174.1400 0.3 1 1103 107 107 GLY CA C 45.1570 0.3 1 1104 107 107 GLY N N 111.9570 0.3 1 1105 108 108 GLU H H 8.1580 0.02 1 1106 108 108 GLU HA H 4.3180 0.02 1 1107 108 108 GLU HB2 H 1.6220 0.02 2 1108 108 108 GLU HB3 H 1.9880 0.02 2 1109 108 108 GLU C C 176.3540 0.3 1 1110 108 108 GLU CA C 56.1010 0.3 1 1111 108 108 GLU CB C 30.5790 0.3 1 1112 108 108 GLU N N 120.0900 0.3 1 1113 109 109 ARG H H 8.5100 0.02 1 1114 109 109 ARG C C 175.7310 0.3 1 1115 109 109 ARG CA C 55.9160 0.3 1 1116 109 109 ARG CB C 30.6350 0.3 1 1117 109 109 ARG N N 122.0030 0.3 1 1118 111 111 PHE HA H 4.5710 0.02 1 1119 111 111 PHE HB2 H 2.9570 0.02 2 1120 111 111 PHE HB3 H 3.1000 0.02 2 1121 111 111 PHE HD1 H 7.1970 0.02 1 1122 111 111 PHE HD2 H 7.1970 0.02 1 1123 111 111 PHE C C 175.2760 0.3 1 1124 111 111 PHE CA C 57.5930 0.3 1 1125 111 111 PHE CB C 39.7440 0.3 1 1126 111 111 PHE CD1 C 131.4980 0.3 1 1127 111 111 PHE CD2 C 131.4980 0.3 1 1128 112 112 ALA H H 8.3910 0.02 1 1129 112 112 ALA HA H 4.3030 0.02 1 1130 112 112 ALA HB H 1.3860 0.02 1 1131 112 112 ALA C C 177.5750 0.3 1 1132 112 112 ALA CA C 52.3920 0.3 1 1133 112 112 ALA CB C 19.5200 0.3 1 1134 112 112 ALA N N 125.9960 0.3 1 1135 113 113 GLU H H 8.4680 0.02 1 1136 113 113 GLU HA H 4.2660 0.02 1 1137 113 113 GLU HB2 H 1.8440 0.02 2 1138 113 113 GLU HB3 H 2.0990 0.02 2 1139 113 113 GLU C C 176.6860 0.3 1 1140 113 113 GLU CA C 56.8570 0.3 1 1141 113 113 GLU CB C 30.1300 0.3 1 1142 113 113 GLU N N 120.3990 0.3 1 1143 114 114 SER HA H 4.3530 0.02 1 1144 114 114 SER HB3 H 3.8790 0.02 2 1145 114 114 SER C C 174.5250 0.3 1 1146 114 114 SER CA C 58.4920 0.3 1 1147 114 114 SER CB C 63.9420 0.3 1 1148 115 115 GLU H H 8.5010 0.02 1 1149 115 115 GLU HA H 4.3730 0.02 1 1150 115 115 GLU HB2 H 2.0850 0.02 2 1151 115 115 GLU HB3 H 1.9630 0.02 2 1152 115 115 GLU C C 176.5330 0.3 1 1153 115 115 GLU CA C 56.7200 0.3 1 1154 115 115 GLU CB C 30.4890 0.3 1 1155 115 115 GLU N N 122.8960 0.3 1 1156 116 116 THR H H 8.3040 0.02 1 1157 116 116 THR HA H 4.3450 0.02 1 1158 116 116 THR HB H 4.1950 0.02 1 1159 116 116 THR HG2 H 1.1950 0.02 1 1160 116 116 THR C C 174.3030 0.3 1 1161 116 116 THR CA C 61.9080 0.3 1 1162 116 116 THR CB C 69.7823 0.3 1 1163 116 116 THR CG2 C 21.5380 0.3 1 1164 116 116 THR N N 115.8740 0.3 1 1165 117 117 LEU H H 8.4530 0.02 1 1166 117 117 LEU HA H 4.3600 0.02 1 1167 117 117 LEU HB3 H 1.6280 0.02 2 1168 117 117 LEU HG H 1.6210 0.02 1 1169 117 117 LEU HD1 H 0.9210 0.02 2 1170 117 117 LEU HD2 H 0.8220 0.02 2 1171 117 117 LEU C C 176.2450 0.3 1 1172 117 117 LEU CA C 54.9570 0.3 1 1173 117 117 LEU CB C 42.4480 0.3 1 1174 117 117 LEU CG C 26.9980 0.3 1 1175 117 117 LEU CD1 C 24.9690 0.3 2 1176 117 117 LEU CD2 C 23.3300 0.3 2 1177 117 117 LEU N N 125.7120 0.3 1 1178 118 118 ASP H H 8.3023 0.02 1 1179 118 118 ASP N N 115.9097 0.3 1 stop_ save_