data_19801 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of a protein C-terminal domain ; _BMRB_accession_number 19801 _BMRB_flat_file_name bmr19801.str _Entry_type original _Submission_date 2014-02-17 _Accession_date 2014-02-17 _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 Feng Yingang . . 2 Jiao Lianying . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 782 "13C chemical shifts" 577 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-05 original author . stop_ _Original_release_date 2015-01-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mechanism of the Rpn13-induced activation of Uch37' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24752541 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiao Lianying . . 2 Ouyang Songying . . 3 Shaw Neil . . 4 Song Gaojie . . 5 Feng Yingang . . 6 Niu Fengfeng . . 7 Qiu Weicheng . . 8 Zhu Hongtao . . 9 Hung Li-Wei . . 10 Zuo Xiaobing . . 11 Shtykova 'V. Eleonora' . . 12 Zhu Ping . . 13 Dong Yu-Hui . . 14 Xu Ruxiang . . 15 Liu Zhi-Jie . . stop_ _Journal_abbreviation 'Protein Cell' _Journal_volume 5 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 616 _Page_last 630 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'protein C-terminal domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14822.638 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; SNAILATMNVPAGPAGGQQV DLASVLTPEIMAPILANADV QERLLPYLPSGESLPQTADE IQNTLTSPQFQQALGMFSAA LASGQLGPLMCQFGLPAEAV EAANKGDVEAFAKAMQNNAK PEQKEGDTKDKKDEEEDMSL D ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ALA 4 ILE 5 LEU 6 ALA 7 THR 8 MET 9 ASN 10 VAL 11 PRO 12 ALA 13 GLY 14 PRO 15 ALA 16 GLY 17 GLY 18 GLN 19 GLN 20 VAL 21 ASP 22 LEU 23 ALA 24 SER 25 VAL 26 LEU 27 THR 28 PRO 29 GLU 30 ILE 31 MET 32 ALA 33 PRO 34 ILE 35 LEU 36 ALA 37 ASN 38 ALA 39 ASP 40 VAL 41 GLN 42 GLU 43 ARG 44 LEU 45 LEU 46 PRO 47 TYR 48 LEU 49 PRO 50 SER 51 GLY 52 GLU 53 SER 54 LEU 55 PRO 56 GLN 57 THR 58 ALA 59 ASP 60 GLU 61 ILE 62 GLN 63 ASN 64 THR 65 LEU 66 THR 67 SER 68 PRO 69 GLN 70 PHE 71 GLN 72 GLN 73 ALA 74 LEU 75 GLY 76 MET 77 PHE 78 SER 79 ALA 80 ALA 81 LEU 82 ALA 83 SER 84 GLY 85 GLN 86 LEU 87 GLY 88 PRO 89 LEU 90 MET 91 CYS 92 GLN 93 PHE 94 GLY 95 LEU 96 PRO 97 ALA 98 GLU 99 ALA 100 VAL 101 GLU 102 ALA 103 ALA 104 ASN 105 LYS 106 GLY 107 ASP 108 VAL 109 GLU 110 ALA 111 PHE 112 ALA 113 LYS 114 ALA 115 MET 116 GLN 117 ASN 118 ASN 119 ALA 120 LYS 121 PRO 122 GLU 123 GLN 124 LYS 125 GLU 126 GLY 127 ASP 128 THR 129 LYS 130 ASP 131 LYS 132 LYS 133 ASP 134 GLU 135 GLU 136 GLU 137 ASP 138 MET 139 SER 140 LEU 141 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-29 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 BMRB 17286 entity 98.58 150 99.28 100.00 7.68e-92 PDB 2KQZ "Fragment Of Proteasome Protein" 98.58 155 99.28 100.00 4.37e-92 PDB 2KR0 "A Proteasome Protein" 98.58 411 99.28 100.00 2.01e-89 PDB 2L5V "Solution Structure Of The C-Terminal Domain Of Hrpn13" 98.58 150 99.28 100.00 7.68e-92 PDB 2MKZ "Solution Structure Of A Protein C-terminal Domain" 100.00 141 100.00 100.00 6.62e-94 PDB 4UEL "Uch-l5 In Complex With Ubiquitin-propargyl Bound To The Rpn13 Deubad Domain" 85.11 127 99.17 100.00 1.01e-76 PDB 4UEM "Uch-l5 In Complex With The Rpn13 Deubad Domain" 85.11 127 99.17 100.00 1.01e-76 PDB 4WLQ "Crystal Structure Of Much37-hrpn13 Ctd Complex" 70.21 99 100.00 100.00 5.28e-62 PDB 4WLR "Crystal Structure Of Much37-hrpn13 Ctd-hub Complex" 72.34 102 100.00 100.00 4.85e-64 DBJ BAA11023 "Mr 110,000 antigen [Homo sapiens]" 98.58 407 99.28 100.00 2.07e-89 DBJ BAJ20420 "adhesion regulating molecule 1 [synthetic construct]" 98.58 407 99.28 100.00 1.94e-89 GB AAH10733 "Unknown (protein for IMAGE:3897044), partial [Homo sapiens]" 98.58 296 99.28 100.00 1.54e-91 GB AAH17245 "Adhesion regulating molecule 1 [Homo sapiens]" 98.58 407 99.28 100.00 1.94e-89 GB AAX42432 "adhesion regulating molecule 1 [synthetic construct]" 98.58 407 99.28 100.00 1.94e-89 GB ABM84246 "adhesion regulating molecule 1 [synthetic construct]" 98.58 407 99.28 100.00 1.94e-89 GB ABM87634 "adhesion regulating molecule 1 [synthetic construct]" 98.58 407 99.28 100.00 1.94e-89 REF NP_001247458 "proteasomal ubiquitin receptor ADRM1 [Macaca mulatta]" 98.58 407 98.56 100.00 9.49e-89 REF NP_001268366 "proteasomal ubiquitin receptor ADRM1 isoform 2 [Homo sapiens]" 98.58 368 99.28 100.00 2.43e-90 REF NP_001268367 "proteasomal ubiquitin receptor ADRM1 isoform 2 [Homo sapiens]" 98.58 368 99.28 100.00 2.43e-90 REF NP_008933 "proteasomal ubiquitin receptor ADRM1 isoform 1 [Homo sapiens]" 98.58 407 99.28 100.00 1.94e-89 REF NP_783163 "proteasomal ubiquitin receptor ADRM1 isoform 1 [Homo sapiens]" 98.58 407 99.28 100.00 1.94e-89 SP Q16186 "RecName: Full=Proteasomal ubiquitin receptor ADRM1; AltName: Full=110 kDa cell membrane glycoprotein; Short=Gp110; AltName: Ful" 98.58 407 99.28 100.00 1.94e-89 TPD FAA00246 "TPA: regulatory particle non-ATPase 13 [Homo sapiens]" 98.58 407 99.28 100.00 1.94e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pMCSG7 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1.0 '[U-13C; U-15N]' 'sodium phosphate' 40 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' DSS 0.02 % . . '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_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' '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_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . 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_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'protein C-terminal domain' _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 2 2 ASN HA H 4.7610 0.02 1 2 2 2 ASN HB2 H 2.8580 0.02 2 3 2 2 ASN HB3 H 2.7560 0.02 2 4 2 2 ASN HD21 H 7.6500 0.02 2 5 2 2 ASN HD22 H 6.9600 0.02 2 6 2 2 ASN C C 174.7090 0.3 1 7 2 2 ASN CA C 53.1750 0.3 1 8 2 2 ASN CB C 38.8670 0.3 1 9 2 2 ASN ND2 N 113.0400 0.2 1 10 3 3 ALA H H 8.3860 0.02 1 11 3 3 ALA HA H 4.3240 0.02 1 12 3 3 ALA HB H 1.3540 0.02 1 13 3 3 ALA C C 177.4700 0.3 1 14 3 3 ALA CA C 52.6630 0.3 1 15 3 3 ALA CB C 19.1510 0.3 1 16 3 3 ALA N N 124.7540 0.2 1 17 4 4 ILE H H 8.1480 0.02 1 18 4 4 ILE HA H 4.1130 0.02 1 19 4 4 ILE HB H 1.8570 0.02 1 20 4 4 ILE HG12 H 1.1850 0.02 2 21 4 4 ILE HG13 H 1.4800 0.02 2 22 4 4 ILE HG2 H 0.8890 0.02 1 23 4 4 ILE HD1 H 0.8600 0.02 1 24 4 4 ILE C C 176.1780 0.3 1 25 4 4 ILE CA C 61.1800 0.3 1 26 4 4 ILE CB C 38.3340 0.3 1 27 4 4 ILE CG1 C 27.4050 0.3 1 28 4 4 ILE CG2 C 17.5940 0.3 1 29 4 4 ILE CD1 C 12.8730 0.3 1 30 4 4 ILE N N 120.2920 0.2 1 31 5 5 LEU H H 8.2440 0.02 1 32 5 5 LEU HA H 4.3830 0.02 1 33 5 5 LEU HB2 H 1.6330 0.02 2 34 5 5 LEU HB3 H 1.6330 0.02 2 35 5 5 LEU HG H 1.6390 0.02 1 36 5 5 LEU HD1 H 0.8620 0.02 2 37 5 5 LEU HD2 H 0.9280 0.02 2 38 5 5 LEU C C 176.9630 0.3 1 39 5 5 LEU CA C 55.1470 0.3 1 40 5 5 LEU CB C 42.2870 0.3 1 41 5 5 LEU CG C 26.9970 0.3 1 42 5 5 LEU CD1 C 23.3350 0.3 2 43 5 5 LEU CD2 C 25.1660 0.3 2 44 5 5 LEU N N 126.2950 0.2 1 45 6 6 ALA H H 8.2920 0.02 1 46 6 6 ALA HA H 4.3750 0.02 1 47 6 6 ALA HB H 1.4100 0.02 1 48 6 6 ALA C C 177.8100 0.3 1 49 6 6 ALA CA C 52.6040 0.3 1 50 6 6 ALA CB C 19.2790 0.3 1 51 6 6 ALA N N 124.8230 0.2 1 52 7 7 THR H H 8.0090 0.02 1 53 7 7 THR HA H 4.3260 0.02 1 54 7 7 THR HB H 4.2480 0.02 1 55 7 7 THR HG2 H 1.2080 0.02 1 56 7 7 THR C C 174.5080 0.3 1 57 7 7 THR CA C 61.7420 0.3 1 58 7 7 THR CB C 69.8040 0.3 1 59 7 7 THR CG2 C 21.7440 0.3 1 60 7 7 THR N N 112.3800 0.2 1 61 8 8 MET H H 8.2740 0.02 1 62 8 8 MET HA H 4.5290 0.02 1 63 8 8 MET HB2 H 2.0020 0.02 2 64 8 8 MET HB3 H 2.0890 0.02 2 65 8 8 MET C C 175.5640 0.3 1 66 8 8 MET CA C 55.5010 0.3 1 67 8 8 MET CB C 33.0450 0.3 1 68 8 8 MET N N 122.0580 0.2 1 69 9 9 ASN H H 8.4630 0.02 1 70 9 9 ASN HA H 4.7230 0.02 1 71 9 9 ASN HB2 H 2.7500 0.02 2 72 9 9 ASN HB3 H 2.7500 0.02 2 73 9 9 ASN HD21 H 6.9030 0.02 2 74 9 9 ASN HD22 H 7.5910 0.02 2 75 9 9 ASN C C 174.5050 0.3 1 76 9 9 ASN CA C 53.3760 0.3 1 77 9 9 ASN CB C 38.9730 0.3 1 78 9 9 ASN N N 120.1730 0.2 1 79 9 9 ASN ND2 N 112.8600 0.2 1 80 10 10 VAL H H 8.1240 0.02 1 81 10 10 VAL HA H 4.4270 0.02 1 82 10 10 VAL HB H 2.0790 0.02 1 83 10 10 VAL HG1 H 0.9120 0.02 2 84 10 10 VAL HG2 H 0.9630 0.02 2 85 10 10 VAL C C 174.2370 0.3 1 86 10 10 VAL CA C 59.8090 0.3 1 87 10 10 VAL CB C 32.6420 0.3 1 88 10 10 VAL CG1 C 20.4600 0.3 2 89 10 10 VAL CG2 C 21.0860 0.3 2 90 10 10 VAL N N 121.6490 0.2 1 91 11 11 PRO HA H 4.4110 0.02 1 92 11 11 PRO HB2 H 1.9230 0.02 2 93 11 11 PRO HB3 H 2.2920 0.02 2 94 11 11 PRO HG2 H 2.0110 0.02 2 95 11 11 PRO HG3 H 2.0110 0.02 2 96 11 11 PRO HD2 H 3.6640 0.02 2 97 11 11 PRO HD3 H 3.6640 0.02 2 98 11 11 PRO C C 176.4290 0.3 1 99 11 11 PRO CA C 63.1290 0.3 1 100 11 11 PRO CB C 32.0990 0.3 1 101 11 11 PRO CG C 27.4530 0.3 1 102 11 11 PRO CD C 50.7460 0.3 1 103 12 12 ALA H H 8.4160 0.02 1 104 12 12 ALA HA H 4.3640 0.02 1 105 12 12 ALA HB H 1.4250 0.02 1 106 12 12 ALA C C 177.8840 0.3 1 107 12 12 ALA CA C 52.2580 0.3 1 108 12 12 ALA CB C 19.4340 0.3 1 109 12 12 ALA N N 124.5260 0.2 1 110 13 13 GLY H H 8.2070 0.02 1 111 13 13 GLY HA2 H 4.0520 0.02 2 112 13 13 GLY HA3 H 4.1390 0.02 2 113 13 13 GLY C C 171.8550 0.3 1 114 13 13 GLY CA C 44.5420 0.3 1 115 13 13 GLY N N 108.1680 0.2 1 116 14 14 PRO HA H 4.4240 0.02 1 117 14 14 PRO HB2 H 1.9490 0.02 2 118 14 14 PRO HB3 H 2.2890 0.02 2 119 14 14 PRO HG2 H 2.0040 0.02 2 120 14 14 PRO HG3 H 2.0040 0.02 2 121 14 14 PRO HD2 H 3.6260 0.02 2 122 14 14 PRO HD3 H 3.6260 0.02 2 123 14 14 PRO C C 177.1760 0.3 1 124 14 14 PRO CA C 63.1970 0.3 1 125 14 14 PRO CB C 32.0860 0.3 1 126 14 14 PRO CG C 27.4090 0.3 1 127 14 14 PRO CD C 49.9540 0.3 1 128 15 15 ALA H H 8.5190 0.02 1 129 15 15 ALA HA H 4.3500 0.02 1 130 15 15 ALA HB H 1.4120 0.02 1 131 15 15 ALA C C 178.3880 0.3 1 132 15 15 ALA CA C 52.6840 0.3 1 133 15 15 ALA CB C 19.0330 0.3 1 134 15 15 ALA N N 124.4130 0.2 1 135 16 16 GLY H H 8.3790 0.02 1 136 16 16 GLY HA2 H 3.9790 0.02 2 137 16 16 GLY HA3 H 3.9790 0.02 2 138 16 16 GLY C C 174.7530 0.3 1 139 16 16 GLY CA C 45.3740 0.3 1 140 16 16 GLY N N 108.2000 0.2 1 141 17 17 GLY H H 8.2480 0.02 1 142 17 17 GLY HA2 H 3.9790 0.02 2 143 17 17 GLY HA3 H 3.9790 0.02 2 144 17 17 GLY C C 174.0650 0.3 1 145 17 17 GLY CA C 45.1730 0.3 1 146 17 17 GLY N N 108.4800 0.2 1 147 18 18 GLN H H 8.3120 0.02 1 148 18 18 GLN HA H 4.3400 0.02 1 149 18 18 GLN HB2 H 1.9710 0.02 2 150 18 18 GLN HB3 H 2.0830 0.02 2 151 18 18 GLN HG2 H 2.3450 0.02 2 152 18 18 GLN HG3 H 2.3450 0.02 2 153 18 18 GLN HE21 H 6.8800 0.02 2 154 18 18 GLN HE22 H 7.5900 0.02 2 155 18 18 GLN C C 175.8340 0.3 1 156 18 18 GLN CA C 55.8150 0.3 1 157 18 18 GLN CB C 29.3300 0.3 1 158 18 18 GLN CG C 33.9190 0.3 1 159 18 18 GLN N N 119.6880 0.2 1 160 18 18 GLN NE2 N 112.6700 0.2 1 161 19 19 GLN H H 8.5230 0.02 1 162 19 19 GLN HA H 4.3750 0.02 1 163 19 19 GLN HB2 H 1.9750 0.02 2 164 19 19 GLN HB3 H 2.0800 0.02 2 165 19 19 GLN HG2 H 2.3430 0.02 2 166 19 19 GLN HG3 H 2.3430 0.02 2 167 19 19 GLN HE21 H 6.8800 0.02 2 168 19 19 GLN HE22 H 7.5900 0.02 2 169 19 19 GLN C C 175.7850 0.3 1 170 19 19 GLN CA C 55.8050 0.3 1 171 19 19 GLN CB C 29.6200 0.3 1 172 19 19 GLN CG C 33.9380 0.3 1 173 19 19 GLN N N 122.0170 0.2 1 174 19 19 GLN NE2 N 112.6700 0.2 1 175 20 20 VAL H H 8.3480 0.02 1 176 20 20 VAL HA H 4.0180 0.02 1 177 20 20 VAL HB H 1.9750 0.02 1 178 20 20 VAL HG1 H 0.8170 0.02 2 179 20 20 VAL HG2 H 0.8880 0.02 2 180 20 20 VAL C C 175.0860 0.3 1 181 20 20 VAL CA C 62.3070 0.3 1 182 20 20 VAL CB C 33.2160 0.3 1 183 20 20 VAL CG1 C 21.2320 0.3 2 184 20 20 VAL CG2 C 21.2030 0.3 2 185 20 20 VAL N N 122.3510 0.2 1 186 21 21 ASP H H 8.5440 0.02 1 187 21 21 ASP HA H 4.7260 0.02 1 188 21 21 ASP HB2 H 2.6560 0.02 2 189 21 21 ASP HB3 H 2.8000 0.02 2 190 21 21 ASP C C 177.3810 0.3 1 191 21 21 ASP CA C 53.3020 0.3 1 192 21 21 ASP CB C 40.8550 0.3 1 193 21 21 ASP N N 125.2830 0.2 1 194 22 22 LEU H H 8.7870 0.02 1 195 22 22 LEU HA H 4.0660 0.02 1 196 22 22 LEU HB2 H 1.7690 0.02 2 197 22 22 LEU HB3 H 1.6220 0.02 2 198 22 22 LEU HG H 1.7760 0.02 1 199 22 22 LEU HD1 H 0.8900 0.02 2 200 22 22 LEU HD2 H 0.9790 0.02 2 201 22 22 LEU C C 178.2650 0.3 1 202 22 22 LEU CA C 57.5900 0.3 1 203 22 22 LEU CB C 42.1480 0.3 1 204 22 22 LEU CG C 26.9260 0.3 1 205 22 22 LEU CD1 C 24.1220 0.3 2 206 22 22 LEU CD2 C 24.8450 0.3 2 207 22 22 LEU N N 126.5310 0.2 1 208 23 23 ALA H H 8.5130 0.02 1 209 23 23 ALA HA H 4.1940 0.02 1 210 23 23 ALA HB H 1.5140 0.02 1 211 23 23 ALA C C 178.1420 0.3 1 212 23 23 ALA CA C 54.1240 0.3 1 213 23 23 ALA CB C 18.1560 0.3 1 214 23 23 ALA N N 120.4520 0.2 1 215 24 24 SER H H 7.7600 0.02 1 216 24 24 SER HA H 4.3390 0.02 1 217 24 24 SER HB2 H 3.9660 0.02 2 218 24 24 SER HB3 H 3.9660 0.02 2 219 24 24 SER C C 174.2860 0.3 1 220 24 24 SER CA C 60.1010 0.3 1 221 24 24 SER CB C 63.6380 0.3 1 222 24 24 SER N N 111.0630 0.2 1 223 25 25 VAL H H 7.3130 0.02 1 224 25 25 VAL HA H 4.3260 0.02 1 225 25 25 VAL HB H 1.9560 0.02 1 226 25 25 VAL HG1 H 0.9170 0.02 2 227 25 25 VAL HG2 H 0.9170 0.02 2 228 25 25 VAL C C 175.1460 0.3 1 229 25 25 VAL CA C 62.7870 0.3 1 230 25 25 VAL CB C 34.1830 0.3 1 231 25 25 VAL CG1 C 20.5630 0.3 2 232 25 25 VAL CG2 C 21.5850 0.3 2 233 25 25 VAL N N 117.0270 0.2 1 234 26 26 LEU H H 8.3340 0.02 1 235 26 26 LEU HA H 4.4630 0.02 1 236 26 26 LEU HB2 H 1.3330 0.02 2 237 26 26 LEU HB3 H 1.9770 0.02 2 238 26 26 LEU HG H 1.8260 0.02 1 239 26 26 LEU HD1 H 1.0990 0.02 2 240 26 26 LEU HD2 H 0.8950 0.02 2 241 26 26 LEU C C 173.8200 0.3 1 242 26 26 LEU CA C 52.8060 0.3 1 243 26 26 LEU CB C 39.5430 0.3 1 244 26 26 LEU CG C 26.6330 0.3 1 245 26 26 LEU CD1 C 26.3060 0.3 2 246 26 26 LEU CD2 C 22.9550 0.3 2 247 26 26 LEU N N 121.6540 0.2 1 248 27 27 THR H H 6.6170 0.02 1 249 27 27 THR HA H 4.6330 0.02 1 250 27 27 THR HB H 4.6330 0.02 1 251 27 27 THR HG2 H 1.2090 0.02 1 252 27 27 THR C C 173.9670 0.3 1 253 27 27 THR CA C 59.3630 0.3 1 254 27 27 THR CB C 68.5580 0.3 1 255 27 27 THR CG2 C 22.3700 0.3 1 256 27 27 THR N N 108.9910 0.2 1 257 28 28 PRO HA H 3.7160 0.02 1 258 28 28 PRO HB2 H 1.8310 0.02 2 259 28 28 PRO HB3 H 1.6610 0.02 2 260 28 28 PRO HG2 H 0.3210 0.02 2 261 28 28 PRO HG3 H 1.7330 0.02 2 262 28 28 PRO HD2 H 3.4300 0.02 2 263 28 28 PRO HD3 H 3.6470 0.02 2 264 28 28 PRO C C 177.5340 0.3 1 265 28 28 PRO CA C 66.1070 0.3 1 266 28 28 PRO CB C 31.6980 0.3 1 267 28 28 PRO CG C 27.0300 0.3 1 268 28 28 PRO CD C 50.3400 0.3 1 269 29 29 GLU H H 8.3300 0.02 1 270 29 29 GLU HA H 3.8480 0.02 1 271 29 29 GLU HB2 H 1.8580 0.02 2 272 29 29 GLU HB3 H 1.9940 0.02 2 273 29 29 GLU HG2 H 2.2470 0.02 2 274 29 29 GLU HG3 H 2.2010 0.02 2 275 29 29 GLU C C 178.6090 0.3 1 276 29 29 GLU CA C 59.8480 0.3 1 277 29 29 GLU CB C 29.1370 0.3 1 278 29 29 GLU CG C 36.7800 0.3 1 279 29 29 GLU N N 114.5050 0.2 1 280 30 30 ILE H H 7.2570 0.02 1 281 30 30 ILE HA H 3.8180 0.02 1 282 30 30 ILE HB H 1.7920 0.02 1 283 30 30 ILE HG12 H 1.1810 0.02 2 284 30 30 ILE HG13 H 1.5940 0.02 2 285 30 30 ILE HG2 H 0.7950 0.02 1 286 30 30 ILE HD1 H 0.9580 0.02 1 287 30 30 ILE C C 177.2090 0.3 1 288 30 30 ILE CA C 63.2370 0.3 1 289 30 30 ILE CB C 38.6960 0.3 1 290 30 30 ILE CG1 C 29.1940 0.3 1 291 30 30 ILE CG2 C 16.9060 0.3 1 292 30 30 ILE CD1 C 13.2110 0.3 1 293 30 30 ILE N N 118.6150 0.2 1 294 31 31 MET H H 8.2060 0.02 1 295 31 31 MET HA H 4.5340 0.02 1 296 31 31 MET HB2 H 1.9950 0.02 2 297 31 31 MET HB3 H 1.7510 0.02 2 298 31 31 MET HG2 H 2.3220 0.02 2 299 31 31 MET HG3 H 2.3220 0.02 2 300 31 31 MET HE H 1.7800 0.02 1 301 31 31 MET C C 178.5840 0.3 1 302 31 31 MET CA C 53.8010 0.3 1 303 31 31 MET CB C 30.6200 0.3 1 304 31 31 MET CG C 33.2000 0.3 1 305 31 31 MET CE C 18.2700 0.3 1 306 31 31 MET N N 111.8990 0.2 1 307 32 32 ALA H H 8.4160 0.02 1 308 32 32 ALA HA H 4.0920 0.02 1 309 32 32 ALA HB H 1.5890 0.02 1 310 32 32 ALA C C 175.1740 0.3 1 311 32 32 ALA CA C 57.9020 0.3 1 312 32 32 ALA CB C 15.9090 0.3 1 313 32 32 ALA N N 124.5260 0.2 1 314 33 33 PRO HA H 4.2930 0.02 1 315 33 33 PRO HB2 H 2.4290 0.02 2 316 33 33 PRO HB3 H 1.8520 0.02 2 317 33 33 PRO HG2 H 2.0240 0.02 2 318 33 33 PRO HG3 H 2.0240 0.02 2 319 33 33 PRO HD2 H 3.5700 0.02 2 320 33 33 PRO HD3 H 3.7210 0.02 2 321 33 33 PRO C C 178.0020 0.3 1 322 33 33 PRO CA C 65.3000 0.3 1 323 33 33 PRO CB C 31.2020 0.3 1 324 33 33 PRO CG C 28.2500 0.3 1 325 33 33 PRO CD C 50.0700 0.3 1 326 34 34 ILE H H 6.4260 0.02 1 327 34 34 ILE HA H 3.0980 0.02 1 328 34 34 ILE HB H 1.5560 0.02 1 329 34 34 ILE HG12 H -0.3210 0.02 2 330 34 34 ILE HG13 H 1.2000 0.02 2 331 34 34 ILE HG2 H 0.4830 0.02 1 332 34 34 ILE HD1 H 0.7230 0.02 1 333 34 34 ILE C C 176.9140 0.3 1 334 34 34 ILE CA C 64.2310 0.3 1 335 34 34 ILE CB C 38.6380 0.3 1 336 34 34 ILE CG1 C 27.7470 0.3 1 337 34 34 ILE CG2 C 17.5640 0.3 1 338 34 34 ILE CD1 C 13.3020 0.3 1 339 34 34 ILE N N 116.0070 0.2 1 340 35 35 LEU H H 8.1350 0.02 1 341 35 35 LEU HA H 3.9080 0.02 1 342 35 35 LEU HB2 H 1.6610 0.02 2 343 35 35 LEU HB3 H 1.3340 0.02 2 344 35 35 LEU HG H 1.5560 0.02 1 345 35 35 LEU HD1 H 0.5870 0.02 2 346 35 35 LEU HD2 H 0.6320 0.02 2 347 35 35 LEU C C 176.8650 0.3 1 348 35 35 LEU CA C 56.1520 0.3 1 349 35 35 LEU CB C 42.0460 0.3 1 350 35 35 LEU CG C 26.5200 0.3 1 351 35 35 LEU CD1 C 22.2400 0.3 2 352 35 35 LEU CD2 C 25.8800 0.3 2 353 35 35 LEU N N 113.8510 0.2 1 354 36 36 ALA H H 7.3400 0.02 1 355 36 36 ALA HA H 4.0100 0.02 1 356 36 36 ALA HB H 1.2800 0.02 1 357 36 36 ALA C C 176.4970 0.3 1 358 36 36 ALA CA C 52.3080 0.3 1 359 36 36 ALA CB C 19.1140 0.3 1 360 36 36 ALA N N 115.5310 0.2 1 361 37 37 ASN H H 7.2080 0.02 1 362 37 37 ASN HA H 4.5940 0.02 1 363 37 37 ASN HB2 H 3.1760 0.02 2 364 37 37 ASN HB3 H 3.1760 0.02 2 365 37 37 ASN HD21 H 7.5660 0.02 2 366 37 37 ASN HD22 H 8.1930 0.02 2 367 37 37 ASN C C 175.6130 0.3 1 368 37 37 ASN CA C 54.5640 0.3 1 369 37 37 ASN CB C 40.7400 0.3 1 370 37 37 ASN N N 119.1350 0.2 1 371 37 37 ASN ND2 N 115.0000 0.2 1 372 38 38 ALA H H 9.1690 0.02 1 373 38 38 ALA HA H 3.9890 0.02 1 374 38 38 ALA HB H 1.5200 0.02 1 375 38 38 ALA C C 179.7140 0.3 1 376 38 38 ALA CA C 55.7210 0.3 1 377 38 38 ALA CB C 18.8790 0.3 1 378 38 38 ALA N N 130.1940 0.2 1 379 39 39 ASP H H 7.8750 0.02 1 380 39 39 ASP HA H 4.5290 0.02 1 381 39 39 ASP HB2 H 3.0880 0.02 2 382 39 39 ASP HB3 H 2.6690 0.02 2 383 39 39 ASP C C 179.2230 0.3 1 384 39 39 ASP CA C 57.6180 0.3 1 385 39 39 ASP CB C 40.5360 0.3 1 386 39 39 ASP N N 118.4290 0.2 1 387 40 40 VAL H H 8.5530 0.02 1 388 40 40 VAL HA H 3.4000 0.02 1 389 40 40 VAL HB H 2.6830 0.02 1 390 40 40 VAL HG1 H 1.1730 0.02 2 391 40 40 VAL HG2 H 0.8550 0.02 2 392 40 40 VAL C C 178.5600 0.3 1 393 40 40 VAL CA C 67.1100 0.3 1 394 40 40 VAL CB C 31.5500 0.3 1 395 40 40 VAL CG1 C 23.2000 0.3 2 396 40 40 VAL CG2 C 21.0000 0.3 2 397 40 40 VAL N N 122.4870 0.2 1 398 41 41 GLN H H 8.6820 0.02 1 399 41 41 GLN HA H 3.6790 0.02 1 400 41 41 GLN HB2 H 2.1040 0.02 2 401 41 41 GLN HB3 H 2.1040 0.02 2 402 41 41 GLN HG2 H 2.8560 0.02 2 403 41 41 GLN HG3 H 2.2910 0.02 2 404 41 41 GLN HE21 H 6.8250 0.02 2 405 41 41 GLN HE22 H 8.0720 0.02 2 406 41 41 GLN C C 178.6090 0.3 1 407 41 41 GLN CA C 61.2200 0.3 1 408 41 41 GLN CB C 26.8510 0.3 1 409 41 41 GLN CG C 34.6400 0.3 1 410 41 41 GLN N N 117.3460 0.2 1 411 41 41 GLN NE2 N 110.5500 0.2 1 412 42 42 GLU H H 7.7460 0.02 1 413 42 42 GLU HA H 4.0580 0.02 1 414 42 42 GLU HB2 H 2.2050 0.02 2 415 42 42 GLU HB3 H 2.2510 0.02 2 416 42 42 GLU HG2 H 2.4670 0.02 2 417 42 42 GLU HG3 H 2.4670 0.02 2 418 42 42 GLU C C 178.6830 0.3 1 419 42 42 GLU CA C 59.6530 0.3 1 420 42 42 GLU CB C 29.6680 0.3 1 421 42 42 GLU CG C 36.3900 0.3 1 422 42 42 GLU N N 117.4370 0.2 1 423 43 43 ARG H H 7.4310 0.02 1 424 43 43 ARG HA H 4.2260 0.02 1 425 43 43 ARG HB2 H 1.8700 0.02 2 426 43 43 ARG HB3 H 1.9490 0.02 2 427 43 43 ARG HG2 H 1.7200 0.02 2 428 43 43 ARG HG3 H 1.8900 0.02 2 429 43 43 ARG HD2 H 3.1690 0.02 2 430 43 43 ARG HD3 H 3.1690 0.02 2 431 43 43 ARG HE H 7.4040 0.02 1 432 43 43 ARG C C 176.8900 0.3 1 433 43 43 ARG CA C 56.5700 0.3 1 434 43 43 ARG CB C 30.0470 0.3 1 435 43 43 ARG CG C 27.4800 0.3 1 436 43 43 ARG CD C 43.2700 0.3 1 437 43 43 ARG N N 115.1230 0.2 1 438 43 43 ARG NE N 84.7900 0.2 1 439 44 44 LEU H H 7.8380 0.02 1 440 44 44 LEU HA H 4.4420 0.02 1 441 44 44 LEU HB2 H 1.9360 0.02 2 442 44 44 LEU HB3 H 1.6610 0.02 2 443 44 44 LEU HG H 2.0400 0.02 1 444 44 44 LEU HD1 H 0.6730 0.02 2 445 44 44 LEU HD2 H 0.8380 0.02 2 446 44 44 LEU C C 177.5280 0.3 1 447 44 44 LEU CA C 56.1330 0.3 1 448 44 44 LEU CB C 41.7130 0.3 1 449 44 44 LEU CG C 26.5700 0.3 1 450 44 44 LEU CD1 C 23.4000 0.3 2 451 44 44 LEU CD2 C 25.5800 0.3 2 452 44 44 LEU N N 117.2350 0.2 1 453 45 45 LEU H H 7.3710 0.02 1 454 45 45 LEU HA H 4.1110 0.02 1 455 45 45 LEU HB2 H 1.6130 0.02 2 456 45 45 LEU HB3 H 1.8790 0.02 2 457 45 45 LEU HG H 1.9160 0.02 1 458 45 45 LEU HD1 H 1.0030 0.02 2 459 45 45 LEU HD2 H 0.9140 0.02 2 460 45 45 LEU C C 175.9560 0.3 1 461 45 45 LEU CA C 59.5610 0.3 1 462 45 45 LEU CB C 40.0810 0.3 1 463 45 45 LEU CG C 26.7000 0.3 1 464 45 45 LEU CD1 C 24.8000 0.3 2 465 45 45 LEU CD2 C 23.8300 0.3 2 466 45 45 LEU N N 118.9290 0.2 1 467 46 46 PRO HA H 4.2180 0.02 1 468 46 46 PRO HB2 H 0.7020 0.02 2 469 46 46 PRO HB3 H 2.0670 0.02 2 470 46 46 PRO HG2 H 1.7790 0.02 2 471 46 46 PRO HG3 H 1.8080 0.02 2 472 46 46 PRO HD2 H 3.6300 0.02 2 473 46 46 PRO HD3 H 3.2700 0.02 2 474 46 46 PRO C C 176.5300 0.3 1 475 46 46 PRO CA C 65.0550 0.3 1 476 46 46 PRO CB C 30.8850 0.3 1 477 46 46 PRO CG C 28.0000 0.3 1 478 46 46 PRO CD C 51.0240 0.3 1 479 47 47 TYR H H 7.9010 0.02 1 480 47 47 TYR HA H 4.4030 0.02 1 481 47 47 TYR HB2 H 3.3950 0.02 2 482 47 47 TYR HB3 H 2.7890 0.02 2 483 47 47 TYR HD1 H 7.1540 0.02 3 484 47 47 TYR HD2 H 7.1540 0.02 3 485 47 47 TYR HE1 H 6.7650 0.02 3 486 47 47 TYR HE2 H 6.7650 0.02 3 487 47 47 TYR C C 174.9740 0.3 1 488 47 47 TYR CA C 57.2840 0.3 1 489 47 47 TYR CB C 38.2880 0.3 1 490 47 47 TYR CD1 C 133.1400 0.3 3 491 47 47 TYR CD2 C 133.1400 0.3 3 492 47 47 TYR CE1 C 117.6500 0.3 3 493 47 47 TYR CE2 C 117.6500 0.3 3 494 47 47 TYR N N 114.4510 0.2 1 495 48 48 LEU H H 7.5240 0.02 1 496 48 48 LEU HA H 4.6430 0.02 1 497 48 48 LEU HB2 H 1.8200 0.02 2 498 48 48 LEU HB3 H 1.5200 0.02 2 499 48 48 LEU HG H 1.6560 0.02 1 500 48 48 LEU HD1 H 0.8420 0.02 2 501 48 48 LEU HD2 H 0.8420 0.02 2 502 48 48 LEU C C 175.0970 0.3 1 503 48 48 LEU CA C 53.3500 0.3 1 504 48 48 LEU CB C 43.5760 0.3 1 505 48 48 LEU CG C 26.1340 0.3 1 506 48 48 LEU CD1 C 25.7900 0.3 2 507 48 48 LEU CD2 C 25.7900 0.3 2 508 48 48 LEU N N 124.2900 0.2 1 509 49 49 PRO HA H 4.4120 0.02 1 510 49 49 PRO HB2 H 1.7370 0.02 2 511 49 49 PRO HB3 H 2.3720 0.02 2 512 49 49 PRO HG2 H 1.9470 0.02 2 513 49 49 PRO HG3 H 1.8220 0.02 2 514 49 49 PRO HD2 H 3.4310 0.02 2 515 49 49 PRO HD3 H 3.4310 0.02 2 516 49 49 PRO C C 176.3510 0.3 1 517 49 49 PRO CA C 62.6690 0.3 1 518 49 49 PRO CB C 32.1530 0.3 1 519 49 49 PRO CG C 27.5300 0.3 1 520 49 49 PRO CD C 50.9400 0.3 1 521 50 50 SER H H 8.3880 0.02 1 522 50 50 SER HA H 4.2000 0.02 1 523 50 50 SER HB2 H 3.8620 0.02 2 524 50 50 SER HB3 H 3.8620 0.02 2 525 50 50 SER C C 176.0300 0.3 1 526 50 50 SER CA C 59.7440 0.3 1 527 50 50 SER CB C 63.2010 0.3 1 528 50 50 SER N N 115.9060 0.2 1 529 51 51 GLY H H 8.7520 0.02 1 530 51 51 GLY HA2 H 4.2290 0.02 2 531 51 51 GLY HA3 H 3.7470 0.02 2 532 51 51 GLY C C 174.1390 0.3 1 533 51 51 GLY CA C 45.3540 0.3 1 534 51 51 GLY N N 113.8820 0.2 1 535 52 52 GLU H H 7.7780 0.02 1 536 52 52 GLU HA H 4.5800 0.02 1 537 52 52 GLU HB2 H 2.1290 0.02 2 538 52 52 GLU HB3 H 1.9040 0.02 2 539 52 52 GLU C C 175.1710 0.3 1 540 52 52 GLU CA C 55.3870 0.3 1 541 52 52 GLU CB C 31.0700 0.3 1 542 52 52 GLU N N 119.7960 0.2 1 543 53 53 SER H H 8.4760 0.02 1 544 53 53 SER HA H 4.6900 0.02 1 545 53 53 SER HB2 H 3.7260 0.02 2 546 53 53 SER HB3 H 3.7970 0.02 2 547 53 53 SER C C 173.4510 0.3 1 548 53 53 SER CA C 57.5530 0.3 1 549 53 53 SER CB C 65.5580 0.3 1 550 53 53 SER N N 114.0560 0.2 1 551 54 54 LEU H H 8.6400 0.02 1 552 54 54 LEU HA H 4.6880 0.02 1 553 54 54 LEU HB2 H 1.5030 0.02 2 554 54 54 LEU HB3 H 1.5030 0.02 2 555 54 54 LEU HG H 1.6660 0.02 1 556 54 54 LEU HD1 H 0.8970 0.02 2 557 54 54 LEU HD2 H 0.9060 0.02 2 558 54 54 LEU C C 174.9990 0.3 1 559 54 54 LEU CA C 52.5250 0.3 1 560 54 54 LEU CB C 42.5760 0.3 1 561 54 54 LEU CG C 26.5700 0.3 1 562 54 54 LEU CD1 C 23.8900 0.3 2 563 54 54 LEU CD2 C 25.8940 0.3 2 564 54 54 LEU N N 123.5760 0.2 1 565 55 55 PRO HA H 4.5160 0.02 1 566 55 55 PRO HB2 H 1.7330 0.02 2 567 55 55 PRO HB3 H 2.2980 0.02 2 568 55 55 PRO HG2 H 1.8310 0.02 2 569 55 55 PRO HG3 H 1.8310 0.02 2 570 55 55 PRO HD2 H 3.9400 0.02 2 571 55 55 PRO HD3 H 3.4320 0.02 2 572 55 55 PRO C C 175.7710 0.3 1 573 55 55 PRO CA C 62.6000 0.3 1 574 55 55 PRO CB C 32.2880 0.3 1 575 55 55 PRO CG C 27.7400 0.3 1 576 55 55 PRO CD C 50.2200 0.3 1 577 56 56 GLN H H 8.7200 0.02 1 578 56 56 GLN HA H 4.4590 0.02 1 579 56 56 GLN HB2 H 2.3010 0.02 2 580 56 56 GLN HB3 H 2.0430 0.02 2 581 56 56 GLN HG2 H 2.4210 0.02 2 582 56 56 GLN HG3 H 2.4510 0.02 2 583 56 56 GLN HE21 H 6.9320 0.02 2 584 56 56 GLN HE22 H 7.5880 0.02 2 585 56 56 GLN C C 176.3250 0.3 1 586 56 56 GLN CA C 56.6370 0.3 1 587 56 56 GLN CB C 31.1290 0.3 1 588 56 56 GLN CG C 34.8840 0.3 1 589 56 56 GLN N N 117.0060 0.2 1 590 56 56 GLN NE2 N 113.3600 0.2 1 591 57 57 THR H H 7.5150 0.02 1 592 57 57 THR HA H 4.7350 0.02 1 593 57 57 THR HB H 4.5100 0.02 1 594 57 57 THR HG2 H 1.2340 0.02 1 595 57 57 THR C C 174.4090 0.3 1 596 57 57 THR CA C 59.6810 0.3 1 597 57 57 THR CB C 72.0750 0.3 1 598 57 57 THR CG2 C 22.0000 0.3 1 599 57 57 THR N N 107.2550 0.2 1 600 58 58 ALA H H 8.9760 0.02 1 601 58 58 ALA HA H 3.9510 0.02 1 602 58 58 ALA HB H 1.3520 0.02 1 603 58 58 ALA C C 179.3460 0.3 1 604 58 58 ALA CA C 54.8530 0.3 1 605 58 58 ALA CB C 17.8360 0.3 1 606 58 58 ALA N N 125.3310 0.2 1 607 59 59 ASP H H 8.4840 0.02 1 608 59 59 ASP HA H 4.3150 0.02 1 609 59 59 ASP HB2 H 2.6180 0.02 2 610 59 59 ASP HB3 H 2.6180 0.02 2 611 59 59 ASP C C 177.9210 0.3 1 612 59 59 ASP CA C 57.1330 0.3 1 613 59 59 ASP CB C 41.0490 0.3 1 614 59 59 ASP N N 116.8790 0.2 1 615 60 60 GLU H H 7.7370 0.02 1 616 60 60 GLU HA H 4.1460 0.02 1 617 60 60 GLU HB2 H 2.0170 0.02 2 618 60 60 GLU HB3 H 2.1510 0.02 2 619 60 60 GLU HG2 H 2.2200 0.02 2 620 60 60 GLU HG3 H 2.2900 0.02 2 621 60 60 GLU C C 179.5670 0.3 1 622 60 60 GLU CA C 58.7370 0.3 1 623 60 60 GLU CB C 30.7330 0.3 1 624 60 60 GLU CG C 37.2600 0.3 1 625 60 60 GLU N N 118.1570 0.2 1 626 61 61 ILE H H 7.9480 0.02 1 627 61 61 ILE HA H 3.6540 0.02 1 628 61 61 ILE HB H 2.0190 0.02 1 629 61 61 ILE HG12 H 1.6950 0.02 2 630 61 61 ILE HG13 H 1.0180 0.02 2 631 61 61 ILE HG2 H 0.8920 0.02 1 632 61 61 ILE HD1 H 0.7230 0.02 1 633 61 61 ILE C C 175.9070 0.3 1 634 61 61 ILE CA C 64.3500 0.3 1 635 61 61 ILE CB C 37.2630 0.3 1 636 61 61 ILE CG1 C 29.4160 0.3 1 637 61 61 ILE CG2 C 17.2970 0.3 1 638 61 61 ILE CD1 C 13.0870 0.3 1 639 61 61 ILE N N 120.9880 0.2 1 640 62 62 GLN H H 8.0620 0.02 1 641 62 62 GLN HA H 3.8860 0.02 1 642 62 62 GLN HB2 H 1.9770 0.02 2 643 62 62 GLN HB3 H 1.9770 0.02 2 644 62 62 GLN HG2 H 2.1660 0.02 2 645 62 62 GLN HG3 H 2.1660 0.02 2 646 62 62 GLN HE21 H 6.8410 0.02 2 647 62 62 GLN HE22 H 7.3820 0.02 2 648 62 62 GLN C C 177.1350 0.3 1 649 62 62 GLN CA C 58.4410 0.3 1 650 62 62 GLN CB C 29.2410 0.3 1 651 62 62 GLN CG C 34.3500 0.3 1 652 62 62 GLN N N 116.3210 0.2 1 653 62 62 GLN NE2 N 111.0000 0.2 1 654 63 63 ASN H H 8.1570 0.02 1 655 63 63 ASN HA H 4.8370 0.02 1 656 63 63 ASN HB2 H 2.8190 0.02 2 657 63 63 ASN HB3 H 2.8190 0.02 2 658 63 63 ASN HD21 H 6.9240 0.02 2 659 63 63 ASN HD22 H 7.6060 0.02 2 660 63 63 ASN C C 176.4230 0.3 1 661 63 63 ASN CA C 54.7260 0.3 1 662 63 63 ASN CB C 40.2310 0.3 1 663 63 63 ASN N N 113.5300 0.2 1 664 63 63 ASN ND2 N 114.2800 0.2 1 665 64 64 THR H H 8.0520 0.02 1 666 64 64 THR HA H 4.4680 0.02 1 667 64 64 THR HB H 4.3420 0.02 1 668 64 64 THR HG2 H 1.2030 0.02 1 669 64 64 THR C C 174.9000 0.3 1 670 64 64 THR CA C 63.6560 0.3 1 671 64 64 THR CB C 70.0690 0.3 1 672 64 64 THR CG2 C 21.7400 0.3 1 673 64 64 THR N N 112.8280 0.2 1 674 65 65 LEU H H 7.6580 0.02 1 675 65 65 LEU HA H 4.4520 0.02 1 676 65 65 LEU HB2 H 1.6160 0.02 2 677 65 65 LEU HB3 H 1.9040 0.02 2 678 65 65 LEU HG H 1.9340 0.02 1 679 65 65 LEU HD1 H 0.9200 0.02 2 680 65 65 LEU HD2 H 0.8220 0.02 2 681 65 65 LEU C C 177.9700 0.3 1 682 65 65 LEU CA C 55.7580 0.3 1 683 65 65 LEU CB C 41.9710 0.3 1 684 65 65 LEU CG C 26.6800 0.3 1 685 65 65 LEU CD1 C 25.7000 0.3 2 686 65 65 LEU CD2 C 23.3000 0.3 2 687 65 65 LEU N N 121.1630 0.2 1 688 68 68 PRO HA H 4.2710 0.02 1 689 68 68 PRO HB2 H 1.8480 0.02 2 690 68 68 PRO HB3 H 2.4110 0.02 2 691 68 68 PRO HG2 H 2.1480 0.02 2 692 68 68 PRO HG3 H 2.1480 0.02 2 693 68 68 PRO HD2 H 3.6300 0.02 2 694 68 68 PRO HD3 H 3.9500 0.02 2 695 68 68 PRO C C 179.6970 0.3 1 696 68 68 PRO CA C 65.7860 0.3 1 697 68 68 PRO CB C 31.3350 0.3 1 698 68 68 PRO CG C 28.4370 0.3 1 699 68 68 PRO CD C 50.1180 0.3 1 700 69 69 GLN H H 7.5670 0.02 1 701 69 69 GLN HA H 4.1950 0.02 1 702 69 69 GLN HB2 H 2.4180 0.02 2 703 69 69 GLN HB3 H 2.0700 0.02 2 704 69 69 GLN HG2 H 2.4700 0.02 2 705 69 69 GLN HG3 H 2.4700 0.02 2 706 69 69 GLN HE21 H 6.8340 0.02 2 707 69 69 GLN HE22 H 7.6590 0.02 2 708 69 69 GLN C C 179.1210 0.3 1 709 69 69 GLN CA C 58.5980 0.3 1 710 69 69 GLN CB C 29.1590 0.3 1 711 69 69 GLN CG C 34.4500 0.3 1 712 69 69 GLN N N 117.1540 0.2 1 713 69 69 GLN NE2 N 111.3500 0.2 1 714 70 70 PHE H H 8.9520 0.02 1 715 70 70 PHE HA H 4.1640 0.02 1 716 70 70 PHE HB2 H 3.3390 0.02 2 717 70 70 PHE HB3 H 3.1970 0.02 2 718 70 70 PHE HD1 H 7.1580 0.02 3 719 70 70 PHE HD2 H 7.1580 0.02 3 720 70 70 PHE HE1 H 7.1580 0.02 3 721 70 70 PHE HE2 H 7.1580 0.02 3 722 70 70 PHE C C 176.8160 0.3 1 723 70 70 PHE CA C 61.8730 0.3 1 724 70 70 PHE CB C 38.7650 0.3 1 725 70 70 PHE CD1 C 131.5500 0.3 3 726 70 70 PHE CD2 C 131.5500 0.3 3 727 70 70 PHE CE1 C 131.5500 0.3 3 728 70 70 PHE CE2 C 131.5500 0.3 3 729 70 70 PHE N N 123.3990 0.2 1 730 71 71 GLN H H 8.5480 0.02 1 731 71 71 GLN HA H 3.7080 0.02 1 732 71 71 GLN HB2 H 2.1800 0.02 2 733 71 71 GLN HB3 H 2.1800 0.02 2 734 71 71 GLN HG2 H 2.4510 0.02 2 735 71 71 GLN HG3 H 2.5510 0.02 2 736 71 71 GLN HE21 H 6.9250 0.02 2 737 71 71 GLN HE22 H 7.5260 0.02 2 738 71 71 GLN C C 179.4440 0.3 1 739 71 71 GLN CA C 59.2890 0.3 1 740 71 71 GLN CB C 27.7360 0.3 1 741 71 71 GLN CG C 34.2180 0.3 1 742 71 71 GLN N N 117.5430 0.2 1 743 71 71 GLN NE2 N 112.1100 0.2 1 744 72 72 GLN H H 7.9240 0.02 1 745 72 72 GLN HA H 4.1460 0.02 1 746 72 72 GLN HB2 H 2.2300 0.02 2 747 72 72 GLN HB3 H 2.2300 0.02 2 748 72 72 GLN HG2 H 2.4400 0.02 2 749 72 72 GLN HG3 H 2.4400 0.02 2 750 72 72 GLN HE21 H 7.0490 0.02 2 751 72 72 GLN HE22 H 7.6530 0.02 2 752 72 72 GLN C C 178.8300 0.3 1 753 72 72 GLN CA C 59.1170 0.3 1 754 72 72 GLN CB C 28.6080 0.3 1 755 72 72 GLN CG C 34.4000 0.3 1 756 72 72 GLN N N 119.8550 0.2 1 757 72 72 GLN NE2 N 111.6300 0.2 1 758 73 73 ALA H H 7.9470 0.02 1 759 73 73 ALA HA H 4.1520 0.02 1 760 73 73 ALA HB H 1.3360 0.02 1 761 73 73 ALA C C 179.6160 0.3 1 762 73 73 ALA CA C 55.3710 0.3 1 763 73 73 ALA CB C 16.8310 0.3 1 764 73 73 ALA N N 124.0520 0.2 1 765 74 74 LEU H H 8.4140 0.02 1 766 74 74 LEU HA H 3.8330 0.02 1 767 74 74 LEU HB2 H 1.3490 0.02 2 768 74 74 LEU HB3 H 1.4690 0.02 2 769 74 74 LEU HG H 1.1810 0.02 1 770 74 74 LEU HD1 H 0.7060 0.02 2 771 74 74 LEU HD2 H 0.6140 0.02 2 772 74 74 LEU C C 179.7390 0.3 1 773 74 74 LEU CA C 57.3290 0.3 1 774 74 74 LEU CB C 41.2860 0.3 1 775 74 74 LEU CG C 25.8400 0.3 1 776 74 74 LEU CD1 C 25.1770 0.3 2 777 74 74 LEU CD2 C 23.7840 0.3 2 778 74 74 LEU N N 117.9500 0.2 1 779 75 75 GLY H H 8.1310 0.02 1 780 75 75 GLY HA2 H 3.8680 0.02 2 781 75 75 GLY HA3 H 4.0020 0.02 2 782 75 75 GLY C C 176.9390 0.3 1 783 75 75 GLY CA C 47.1080 0.3 1 784 75 75 GLY N N 108.8740 0.2 1 785 76 76 MET H H 7.7850 0.02 1 786 76 76 MET HA H 4.0090 0.02 1 787 76 76 MET HB2 H 2.0300 0.02 2 788 76 76 MET HB3 H 2.3570 0.02 2 789 76 76 MET HG2 H 2.7200 0.02 2 790 76 76 MET HG3 H 2.5700 0.02 2 791 76 76 MET HE H 2.0510 0.02 1 792 76 76 MET C C 176.8900 0.3 1 793 76 76 MET CA C 59.2400 0.3 1 794 76 76 MET CB C 33.7730 0.3 1 795 76 76 MET CG C 31.5700 0.3 1 796 76 76 MET CE C 17.5800 0.3 1 797 76 76 MET N N 122.5490 0.2 1 798 77 77 PHE H H 8.4150 0.02 1 799 77 77 PHE HA H 3.7480 0.02 1 800 77 77 PHE HB2 H 3.1660 0.02 2 801 77 77 PHE HB3 H 2.8190 0.02 2 802 77 77 PHE HD1 H 6.7380 0.02 3 803 77 77 PHE HD2 H 6.7380 0.02 3 804 77 77 PHE HE1 H 6.8150 0.02 3 805 77 77 PHE HE2 H 6.8150 0.02 3 806 77 77 PHE HZ H 6.6730 0.02 1 807 77 77 PHE C C 175.8830 0.3 1 808 77 77 PHE CA C 61.7560 0.3 1 809 77 77 PHE CB C 39.1190 0.3 1 810 77 77 PHE CD1 C 131.0700 0.3 3 811 77 77 PHE CD2 C 131.0700 0.3 3 812 77 77 PHE CE1 C 131.1400 0.3 3 813 77 77 PHE CE2 C 131.1400 0.3 3 814 77 77 PHE CZ C 128.9000 0.3 1 815 77 77 PHE N N 118.8310 0.2 1 816 78 78 SER H H 8.7890 0.02 1 817 78 78 SER HA H 3.6070 0.02 1 818 78 78 SER HB2 H 3.9410 0.02 2 819 78 78 SER HB3 H 3.9410 0.02 2 820 78 78 SER C C 175.6370 0.3 1 821 78 78 SER CA C 61.6850 0.3 1 822 78 78 SER CB C 62.9080 0.3 1 823 78 78 SER N N 114.4460 0.2 1 824 79 79 ALA H H 7.3390 0.02 1 825 79 79 ALA HA H 3.8800 0.02 1 826 79 79 ALA HB H 0.9450 0.02 1 827 79 79 ALA C C 180.0820 0.3 1 828 79 79 ALA CA C 54.8470 0.3 1 829 79 79 ALA CB C 17.3050 0.3 1 830 79 79 ALA N N 123.8560 0.2 1 831 80 80 ALA H H 7.6150 0.02 1 832 80 80 ALA HA H 3.8890 0.02 1 833 80 80 ALA HB H 1.1230 0.02 1 834 80 80 ALA C C 180.6960 0.3 1 835 80 80 ALA CA C 54.3750 0.3 1 836 80 80 ALA CB C 18.1520 0.3 1 837 80 80 ALA N N 120.7790 0.2 1 838 81 81 LEU H H 8.7740 0.02 1 839 81 81 LEU HA H 3.6520 0.02 1 840 81 81 LEU HB2 H 0.7720 0.02 2 841 81 81 LEU HB3 H 1.4150 0.02 2 842 81 81 LEU HG H 1.0640 0.02 1 843 81 81 LEU HD1 H 0.2640 0.02 2 844 81 81 LEU HD2 H 0.2040 0.02 2 845 81 81 LEU C C 180.9420 0.3 1 846 81 81 LEU CA C 57.2630 0.3 1 847 81 81 LEU CB C 41.3130 0.3 1 848 81 81 LEU CG C 27.0100 0.3 1 849 81 81 LEU CD1 C 25.1300 0.3 2 850 81 81 LEU CD2 C 24.7900 0.3 2 851 81 81 LEU N N 122.3790 0.2 1 852 82 82 ALA H H 8.2440 0.02 1 853 82 82 ALA HA H 4.3290 0.02 1 854 82 82 ALA HB H 1.4820 0.02 1 855 82 82 ALA C C 178.0440 0.3 1 856 82 82 ALA CA C 54.0890 0.3 1 857 82 82 ALA CB C 18.1520 0.3 1 858 82 82 ALA N N 122.2120 0.2 1 859 83 83 SER H H 7.3750 0.02 1 860 83 83 SER HA H 4.4470 0.02 1 861 83 83 SER HB2 H 4.1010 0.02 2 862 83 83 SER HB3 H 4.2090 0.02 2 863 83 83 SER C C 175.7600 0.3 1 864 83 83 SER CA C 59.8270 0.3 1 865 83 83 SER CB C 64.8360 0.3 1 866 83 83 SER N N 110.5180 0.2 1 867 84 84 GLY H H 7.8200 0.02 1 868 84 84 GLY HA2 H 4.4390 0.02 2 869 84 84 GLY HA3 H 3.8220 0.02 2 870 84 84 GLY C C 176.3740 0.3 1 871 84 84 GLY CA C 46.0590 0.3 1 872 84 84 GLY N N 109.0850 0.2 1 873 85 85 GLN H H 7.8790 0.02 1 874 85 85 GLN HA H 4.2370 0.02 1 875 85 85 GLN HB2 H 2.3300 0.02 2 876 85 85 GLN HB3 H 1.8660 0.02 2 877 85 85 GLN HG2 H 2.4530 0.02 2 878 85 85 GLN HG3 H 2.4530 0.02 2 879 85 85 GLN HE21 H 6.9350 0.02 2 880 85 85 GLN HE22 H 7.5820 0.02 2 881 85 85 GLN C C 176.6930 0.3 1 882 85 85 GLN CA C 57.1230 0.3 1 883 85 85 GLN CB C 29.6270 0.3 1 884 85 85 GLN CG C 34.3130 0.3 1 885 85 85 GLN N N 116.2210 0.2 1 886 85 85 GLN NE2 N 112.7500 0.2 1 887 86 86 LEU H H 8.1930 0.02 1 888 86 86 LEU HA H 4.4360 0.02 1 889 86 86 LEU HB2 H 1.6700 0.02 2 890 86 86 LEU HB3 H 1.4560 0.02 2 891 86 86 LEU HG H 1.2140 0.02 1 892 86 86 LEU HD1 H 0.6640 0.02 2 893 86 86 LEU HD2 H 0.3510 0.02 2 894 86 86 LEU C C 177.8550 0.3 1 895 86 86 LEU CA C 54.5670 0.3 1 896 86 86 LEU CB C 42.2060 0.3 1 897 86 86 LEU CG C 26.9400 0.3 1 898 86 86 LEU CD1 C 23.6400 0.3 2 899 86 86 LEU CD2 C 26.9400 0.3 2 900 86 86 LEU N N 114.6340 0.2 1 901 87 87 GLY H H 7.6740 0.02 1 902 87 87 GLY HA2 H 4.2590 0.02 2 903 87 87 GLY HA3 H 3.4070 0.02 2 904 87 87 GLY C C 173.7460 0.3 1 905 87 87 GLY CA C 49.3210 0.3 1 906 87 87 GLY N N 107.3320 0.2 1 907 88 88 PRO HA H 4.4500 0.02 1 908 88 88 PRO HB2 H 1.8000 0.02 2 909 88 88 PRO HB3 H 2.4490 0.02 2 910 88 88 PRO HG2 H 2.0190 0.02 2 911 88 88 PRO HG3 H 2.0190 0.02 2 912 88 88 PRO HD2 H 3.6800 0.02 2 913 88 88 PRO HD3 H 3.4760 0.02 2 914 88 88 PRO C C 177.8010 0.3 1 915 88 88 PRO CA C 64.8420 0.3 1 916 88 88 PRO CB C 32.1880 0.3 1 917 88 88 PRO CG C 28.0700 0.3 1 918 88 88 PRO CD C 51.0800 0.3 1 919 89 89 LEU H H 7.5150 0.02 1 920 89 89 LEU HA H 4.3920 0.02 1 921 89 89 LEU HB2 H 1.8590 0.02 2 922 89 89 LEU HB3 H 1.5060 0.02 2 923 89 89 LEU HG H 1.6670 0.02 1 924 89 89 LEU HD1 H 0.8660 0.02 2 925 89 89 LEU HD2 H 0.8660 0.02 2 926 89 89 LEU C C 178.4610 0.3 1 927 89 89 LEU CA C 55.5640 0.3 1 928 89 89 LEU CB C 42.7940 0.3 1 929 89 89 LEU CG C 27.0000 0.3 1 930 89 89 LEU CD1 C 23.8570 0.3 2 931 89 89 LEU CD2 C 25.9000 0.3 2 932 89 89 LEU N N 114.3550 0.2 1 933 90 90 MET H H 7.7950 0.02 1 934 90 90 MET HA H 4.9570 0.02 1 935 90 90 MET HB2 H 2.3770 0.02 2 936 90 90 MET HB3 H 2.2190 0.02 2 937 90 90 MET HG2 H 2.5350 0.02 2 938 90 90 MET HG3 H 2.9070 0.02 2 939 90 90 MET HE H 2.0840 0.02 1 940 90 90 MET C C 177.3810 0.3 1 941 90 90 MET CA C 55.7780 0.3 1 942 90 90 MET CB C 31.7940 0.3 1 943 90 90 MET CG C 33.0800 0.3 1 944 90 90 MET CE C 18.7700 0.3 1 945 90 90 MET N N 114.1410 0.2 1 946 91 91 CYS H H 8.0270 0.02 1 947 91 91 CYS HA H 4.4220 0.02 1 948 91 91 CYS HB2 H 3.0940 0.02 2 949 91 91 CYS HB3 H 3.1690 0.02 2 950 91 91 CYS C C 175.9320 0.3 1 951 91 91 CYS CA C 60.0750 0.3 1 952 91 91 CYS CB C 27.1560 0.3 1 953 91 91 CYS N N 116.3300 0.2 1 954 92 92 GLN H H 7.3850 0.02 1 955 92 92 GLN HA H 4.3640 0.02 1 956 92 92 GLN HB2 H 1.6910 0.02 2 957 92 92 GLN HB3 H 1.7750 0.02 2 958 92 92 GLN HG2 H 1.4540 0.02 2 959 92 92 GLN HG3 H 1.9850 0.02 2 960 92 92 GLN HE21 H 7.1270 0.02 2 961 92 92 GLN HE22 H 7.3710 0.02 2 962 92 92 GLN C C 175.9320 0.3 1 963 92 92 GLN CA C 56.6730 0.3 1 964 92 92 GLN CB C 28.8130 0.3 1 965 92 92 GLN CG C 32.9400 0.3 1 966 92 92 GLN N N 118.0060 0.2 1 967 92 92 GLN NE2 N 111.0200 0.2 1 968 93 93 PHE H H 7.5490 0.02 1 969 93 93 PHE HA H 4.8370 0.02 1 970 93 93 PHE HB2 H 3.6930 0.02 2 971 93 93 PHE HB3 H 2.6450 0.02 2 972 93 93 PHE HD1 H 7.3720 0.02 3 973 93 93 PHE HD2 H 7.3720 0.02 3 974 93 93 PHE HE1 H 7.3230 0.02 3 975 93 93 PHE HE2 H 7.3230 0.02 3 976 93 93 PHE HZ H 7.1590 0.02 1 977 93 93 PHE C C 175.4650 0.3 1 978 93 93 PHE CA C 58.3730 0.3 1 979 93 93 PHE CB C 40.3260 0.3 1 980 93 93 PHE CD1 C 131.7000 0.3 3 981 93 93 PHE CD2 C 131.7000 0.3 3 982 93 93 PHE CE1 C 131.8700 0.3 3 983 93 93 PHE CE2 C 131.8700 0.3 3 984 93 93 PHE CZ C 129.2000 0.3 1 985 93 93 PHE N N 116.9850 0.2 1 986 94 94 GLY H H 8.3940 0.02 1 987 94 94 GLY HA2 H 3.9450 0.02 2 988 94 94 GLY HA3 H 3.9450 0.02 2 989 94 94 GLY C C 174.7280 0.3 1 990 94 94 GLY CA C 46.7130 0.3 1 991 94 94 GLY N N 110.1980 0.2 1 992 95 95 LEU H H 8.0070 0.02 1 993 95 95 LEU HA H 4.4810 0.02 1 994 95 95 LEU HB2 H 1.6430 0.02 2 995 95 95 LEU HB3 H 1.4330 0.02 2 996 95 95 LEU HG H 1.8320 0.02 1 997 95 95 LEU HD1 H 0.9160 0.02 2 998 95 95 LEU HD2 H 1.1850 0.02 2 999 95 95 LEU C C 173.9920 0.3 1 1000 95 95 LEU CA C 53.1150 0.3 1 1001 95 95 LEU CB C 40.1830 0.3 1 1002 95 95 LEU CG C 26.7800 0.3 1 1003 95 95 LEU CD1 C 21.7740 0.3 2 1004 95 95 LEU CD2 C 26.2950 0.3 2 1005 95 95 LEU N N 118.7340 0.2 1 1006 96 96 PRO HA H 4.5010 0.02 1 1007 96 96 PRO HB2 H 1.8300 0.02 2 1008 96 96 PRO HB3 H 2.5450 0.02 2 1009 96 96 PRO HG2 H 1.9680 0.02 2 1010 96 96 PRO HG3 H 1.8260 0.02 2 1011 96 96 PRO HD2 H 3.9140 0.02 2 1012 96 96 PRO HD3 H 3.4350 0.02 2 1013 96 96 PRO C C 177.7790 0.3 1 1014 96 96 PRO CA C 62.7210 0.3 1 1015 96 96 PRO CB C 32.3090 0.3 1 1016 96 96 PRO CG C 28.0200 0.3 1 1017 96 96 PRO CD C 50.2600 0.3 1 1018 97 97 ALA H H 9.1030 0.02 1 1019 97 97 ALA HA H 4.0140 0.02 1 1020 97 97 ALA HB H 1.4900 0.02 1 1021 97 97 ALA C C 180.4020 0.3 1 1022 97 97 ALA CA C 55.8630 0.3 1 1023 97 97 ALA CB C 18.1120 0.3 1 1024 97 97 ALA N N 128.2620 0.2 1 1025 98 98 GLU H H 9.7110 0.02 1 1026 98 98 GLU HA H 4.0740 0.02 1 1027 98 98 GLU HB2 H 1.9700 0.02 2 1028 98 98 GLU HB3 H 1.9700 0.02 2 1029 98 98 GLU HG2 H 2.3970 0.02 2 1030 98 98 GLU HG3 H 2.4290 0.02 2 1031 98 98 GLU C C 179.8610 0.3 1 1032 98 98 GLU CA C 59.8670 0.3 1 1033 98 98 GLU CB C 29.2810 0.3 1 1034 98 98 GLU CG C 37.1100 0.3 1 1035 98 98 GLU N N 116.0090 0.2 1 1036 99 99 ALA H H 7.6520 0.02 1 1037 99 99 ALA HA H 4.0010 0.02 1 1038 99 99 ALA HB H 1.2340 0.02 1 1039 99 99 ALA C C 178.5350 0.3 1 1040 99 99 ALA CA C 54.6960 0.3 1 1041 99 99 ALA CB C 18.3220 0.3 1 1042 99 99 ALA N N 121.8130 0.2 1 1043 100 100 VAL H H 7.5750 0.02 1 1044 100 100 VAL HA H 3.3960 0.02 1 1045 100 100 VAL HB H 2.2320 0.02 1 1046 100 100 VAL HG1 H 0.9530 0.02 2 1047 100 100 VAL HG2 H 0.9530 0.02 2 1048 100 100 VAL C C 178.3630 0.3 1 1049 100 100 VAL CA C 67.5520 0.3 1 1050 100 100 VAL CB C 31.6450 0.3 1 1051 100 100 VAL CG1 C 23.0500 0.3 2 1052 100 100 VAL CG2 C 21.8700 0.3 2 1053 100 100 VAL N N 120.2800 0.2 1 1054 101 101 GLU H H 8.3210 0.02 1 1055 101 101 GLU HA H 4.1950 0.02 1 1056 101 101 GLU HB2 H 1.9900 0.02 2 1057 101 101 GLU HB3 H 2.0920 0.02 2 1058 101 101 GLU HG2 H 2.2930 0.02 2 1059 101 101 GLU HG3 H 2.3350 0.02 2 1060 101 101 GLU C C 178.9530 0.3 1 1061 101 101 GLU CA C 59.3660 0.3 1 1062 101 101 GLU CB C 29.1600 0.3 1 1063 101 101 GLU CG C 35.8000 0.3 1 1064 101 101 GLU N N 119.4390 0.2 1 1065 102 102 ALA H H 7.5580 0.02 1 1066 102 102 ALA HA H 4.2450 0.02 1 1067 102 102 ALA HB H 1.7800 0.02 1 1068 102 102 ALA C C 180.1560 0.3 1 1069 102 102 ALA CA C 55.2100 0.3 1 1070 102 102 ALA CB C 18.1520 0.3 1 1071 102 102 ALA N N 120.4230 0.2 1 1072 103 103 ALA H H 8.4250 0.02 1 1073 103 103 ALA HA H 3.9030 0.02 1 1074 103 103 ALA HB H 1.4650 0.02 1 1075 103 103 ALA C C 180.3280 0.3 1 1076 103 103 ALA CA C 54.8020 0.3 1 1077 103 103 ALA CB C 18.1230 0.3 1 1078 103 103 ALA N N 119.4930 0.2 1 1079 104 104 ASN H H 8.4010 0.02 1 1080 104 104 ASN HA H 4.5830 0.02 1 1081 104 104 ASN HB2 H 3.0630 0.02 2 1082 104 104 ASN HB3 H 2.8320 0.02 2 1083 104 104 ASN HD21 H 6.5980 0.02 2 1084 104 104 ASN HD22 H 7.3730 0.02 2 1085 104 104 ASN C C 176.7920 0.3 1 1086 104 104 ASN CA C 56.0050 0.3 1 1087 104 104 ASN CB C 38.3340 0.3 1 1088 104 104 ASN N N 119.3500 0.2 1 1089 104 104 ASN ND2 N 111.8000 0.2 1 1090 105 105 LYS H H 7.6570 0.02 1 1091 105 105 LYS HA H 4.3600 0.02 1 1092 105 105 LYS HB2 H 2.0570 0.02 2 1093 105 105 LYS HB3 H 1.8820 0.02 2 1094 105 105 LYS HG2 H 1.5620 0.02 2 1095 105 105 LYS HG3 H 1.6460 0.02 2 1096 105 105 LYS HD2 H 1.7240 0.02 2 1097 105 105 LYS HD3 H 1.7240 0.02 2 1098 105 105 LYS HE2 H 3.0000 0.02 2 1099 105 105 LYS HE3 H 3.0000 0.02 2 1100 105 105 LYS C C 176.7180 0.3 1 1101 105 105 LYS CA C 56.2520 0.3 1 1102 105 105 LYS CB C 33.3100 0.3 1 1103 105 105 LYS CG C 25.3600 0.3 1 1104 105 105 LYS CD C 29.3700 0.3 1 1105 105 105 LYS CE C 42.2300 0.3 1 1106 105 105 LYS N N 117.0020 0.2 1 1107 106 106 GLY H H 7.7370 0.02 1 1108 106 106 GLY HA2 H 3.9580 0.02 2 1109 106 106 GLY HA3 H 3.9580 0.02 2 1110 106 106 GLY C C 173.0340 0.3 1 1111 106 106 GLY CA C 46.1140 0.3 1 1112 106 106 GLY N N 108.9600 0.2 1 1113 107 107 ASP H H 7.7900 0.02 1 1114 107 107 ASP HA H 4.7490 0.02 1 1115 107 107 ASP HB2 H 2.9810 0.02 2 1116 107 107 ASP HB3 H 2.3300 0.02 2 1117 107 107 ASP C C 175.3180 0.3 1 1118 107 107 ASP CA C 52.2590 0.3 1 1119 107 107 ASP CB C 42.0320 0.3 1 1120 107 107 ASP N N 118.8490 0.2 1 1121 108 108 VAL H H 8.4040 0.02 1 1122 108 108 VAL HA H 3.4830 0.02 1 1123 108 108 VAL HB H 2.0640 0.02 1 1124 108 108 VAL HG1 H 1.0490 0.02 2 1125 108 108 VAL HG2 H 1.0120 0.02 2 1126 108 108 VAL C C 177.2090 0.3 1 1127 108 108 VAL CA C 66.5690 0.3 1 1128 108 108 VAL CB C 32.0540 0.3 1 1129 108 108 VAL CG1 C 23.1000 0.3 2 1130 108 108 VAL CG2 C 21.3800 0.3 2 1131 108 108 VAL N N 125.2820 0.2 1 1132 109 109 GLU H H 8.3080 0.02 1 1133 109 109 GLU HA H 4.0000 0.02 1 1134 109 109 GLU HB2 H 2.1240 0.02 2 1135 109 109 GLU HB3 H 2.1240 0.02 2 1136 109 109 GLU HG2 H 2.3600 0.02 2 1137 109 109 GLU HG3 H 2.2500 0.02 2 1138 109 109 GLU C C 179.1490 0.3 1 1139 109 109 GLU CA C 60.0770 0.3 1 1140 109 109 GLU CB C 29.1800 0.3 1 1141 109 109 GLU CG C 37.0700 0.3 1 1142 109 109 GLU N N 120.5480 0.2 1 1143 110 110 ALA H H 8.1860 0.02 1 1144 110 110 ALA HA H 4.0880 0.02 1 1145 110 110 ALA HB H 1.3840 0.02 1 1146 110 110 ALA C C 180.4020 0.3 1 1147 110 110 ALA CA C 54.3430 0.3 1 1148 110 110 ALA CB C 18.1920 0.3 1 1149 110 110 ALA N N 121.7030 0.2 1 1150 111 111 PHE H H 8.3680 0.02 1 1151 111 111 PHE HA H 3.8080 0.02 1 1152 111 111 PHE HB2 H 2.9840 0.02 2 1153 111 111 PHE HB3 H 3.4410 0.02 2 1154 111 111 PHE HD1 H 7.3660 0.02 3 1155 111 111 PHE HD2 H 7.3660 0.02 3 1156 111 111 PHE HE1 H 7.1610 0.02 3 1157 111 111 PHE HE2 H 7.1610 0.02 3 1158 111 111 PHE HZ H 6.6700 0.02 1 1159 111 111 PHE C C 175.6130 0.3 1 1160 111 111 PHE CA C 62.6960 0.3 1 1161 111 111 PHE CB C 39.6290 0.3 1 1162 111 111 PHE CD1 C 132.1000 0.3 3 1163 111 111 PHE CD2 C 132.1000 0.3 3 1164 111 111 PHE CE1 C 131.4000 0.3 3 1165 111 111 PHE CE2 C 131.4000 0.3 3 1166 111 111 PHE CZ C 128.9000 0.3 1 1167 111 111 PHE N N 122.2820 0.2 1 1168 112 112 ALA H H 8.5270 0.02 1 1169 112 112 ALA HA H 3.7580 0.02 1 1170 112 112 ALA HB H 1.5000 0.02 1 1171 112 112 ALA C C 179.2970 0.3 1 1172 112 112 ALA CA C 55.6340 0.3 1 1173 112 112 ALA CB C 18.1560 0.3 1 1174 112 112 ALA N N 120.7720 0.2 1 1175 113 113 LYS H H 8.1040 0.02 1 1176 113 113 LYS HA H 3.9550 0.02 1 1177 113 113 LYS HB2 H 1.8300 0.02 2 1178 113 113 LYS HB3 H 1.8300 0.02 2 1179 113 113 LYS HG2 H 1.5490 0.02 2 1180 113 113 LYS HG3 H 1.4190 0.02 2 1181 113 113 LYS HD2 H 1.6550 0.02 2 1182 113 113 LYS HD3 H 1.6550 0.02 2 1183 113 113 LYS HE2 H 2.9400 0.02 2 1184 113 113 LYS HE3 H 2.9400 0.02 2 1185 113 113 LYS C C 178.8300 0.3 1 1186 113 113 LYS CA C 59.2890 0.3 1 1187 113 113 LYS CB C 32.2600 0.3 1 1188 113 113 LYS CG C 25.3000 0.3 1 1189 113 113 LYS CD C 29.4200 0.3 1 1190 113 113 LYS CE C 42.1000 0.3 1 1191 113 113 LYS N N 116.7020 0.2 1 1192 114 114 ALA H H 7.8460 0.02 1 1193 114 114 ALA HA H 4.1000 0.02 1 1194 114 114 ALA HB H 1.2360 0.02 1 1195 114 114 ALA C C 179.7140 0.3 1 1196 114 114 ALA CA C 54.0380 0.3 1 1197 114 114 ALA CB C 18.5330 0.3 1 1198 114 114 ALA N N 120.0040 0.2 1 1199 115 115 MET H H 7.5050 0.02 1 1200 115 115 MET HA H 4.4130 0.02 1 1201 115 115 MET HB2 H 1.8540 0.02 2 1202 115 115 MET HB3 H 1.8540 0.02 2 1203 115 115 MET HG2 H 1.7550 0.02 2 1204 115 115 MET HG3 H 1.9320 0.02 2 1205 115 115 MET HE H 1.8300 0.02 1 1206 115 115 MET C C 178.0930 0.3 1 1207 115 115 MET CA C 54.6600 0.3 1 1208 115 115 MET CB C 29.7040 0.3 1 1209 115 115 MET CG C 31.9000 0.3 1 1210 115 115 MET CE C 15.8600 0.3 1 1211 115 115 MET N N 114.7960 0.2 1 1212 116 116 GLN H H 7.8880 0.02 1 1213 116 116 GLN HA H 4.1120 0.02 1 1214 116 116 GLN HB2 H 2.1200 0.02 2 1215 116 116 GLN HB3 H 2.1520 0.02 2 1216 116 116 GLN HG2 H 2.3400 0.02 2 1217 116 116 GLN HG3 H 2.4500 0.02 2 1218 116 116 GLN HE21 H 6.8280 0.02 2 1219 116 116 GLN HE22 H 7.4620 0.02 2 1220 116 116 GLN C C 176.9390 0.3 1 1221 116 116 GLN CA C 57.8020 0.3 1 1222 116 116 GLN CB C 29.2040 0.3 1 1223 116 116 GLN CG C 34.1600 0.3 1 1224 116 116 GLN N N 120.6940 0.2 1 1225 116 116 GLN NE2 N 111.5300 0.2 1 1226 117 117 ASN H H 8.2350 0.02 1 1227 117 117 ASN HA H 4.6470 0.02 1 1228 117 117 ASN HB2 H 2.7900 0.02 2 1229 117 117 ASN HB3 H 2.9020 0.02 2 1230 117 117 ASN HD21 H 6.9000 0.02 2 1231 117 117 ASN HD22 H 7.6870 0.02 2 1232 117 117 ASN C C 175.3670 0.3 1 1233 117 117 ASN CA C 53.8780 0.3 1 1234 117 117 ASN CB C 38.6240 0.3 1 1235 117 117 ASN N N 117.6930 0.2 1 1236 117 117 ASN ND2 N 112.6600 0.2 1 1237 118 118 ASN H H 7.9340 0.02 1 1238 118 118 ASN HA H 4.7160 0.02 1 1239 118 118 ASN HB2 H 2.8500 0.02 2 1240 118 118 ASN HB3 H 2.6770 0.02 2 1241 118 118 ASN HD21 H 7.7750 0.02 2 1242 118 118 ASN HD22 H 7.0490 0.02 2 1243 118 118 ASN C C 174.3850 0.3 1 1244 118 118 ASN CA C 53.7600 0.3 1 1245 118 118 ASN CB C 39.6690 0.3 1 1246 118 118 ASN N N 118.4390 0.2 1 1247 118 118 ASN ND2 N 113.4800 0.2 1 1248 119 119 ALA H H 7.8890 0.02 1 1249 119 119 ALA HA H 4.3240 0.02 1 1250 119 119 ALA HB H 1.4220 0.02 1 1251 119 119 ALA C C 177.2340 0.3 1 1252 119 119 ALA CA C 52.5730 0.3 1 1253 119 119 ALA CB C 19.1990 0.3 1 1254 119 119 ALA N N 123.3660 0.2 1 1255 120 120 LYS H H 8.2120 0.02 1 1256 120 120 LYS HA H 4.6000 0.02 1 1257 120 120 LYS HB2 H 1.7400 0.02 2 1258 120 120 LYS HB3 H 1.8400 0.02 2 1259 120 120 LYS HG2 H 1.4720 0.02 2 1260 120 120 LYS HG3 H 1.5070 0.02 2 1261 120 120 LYS HD2 H 1.7100 0.02 2 1262 120 120 LYS HD3 H 1.7100 0.02 2 1263 120 120 LYS HE2 H 3.0200 0.02 2 1264 120 120 LYS HE3 H 3.0200 0.02 2 1265 120 120 LYS C C 174.4830 0.3 1 1266 120 120 LYS CA C 54.1550 0.3 1 1267 120 120 LYS CB C 32.5450 0.3 1 1268 120 120 LYS CG C 24.8400 0.3 1 1269 120 120 LYS CD C 29.2900 0.3 1 1270 120 120 LYS CE C 42.2700 0.3 1 1271 120 120 LYS N N 121.7860 0.2 1 1272 121 121 PRO HA H 4.4230 0.02 1 1273 121 121 PRO HB2 H 1.9230 0.02 2 1274 121 121 PRO HB3 H 2.3110 0.02 2 1275 121 121 PRO HG2 H 2.0100 0.02 2 1276 121 121 PRO HG3 H 2.0100 0.02 2 1277 121 121 PRO HD2 H 3.8500 0.02 2 1278 121 121 PRO HD3 H 3.6600 0.02 2 1279 121 121 PRO C C 176.9760 0.3 1 1280 121 121 PRO CA C 63.1330 0.3 1 1281 121 121 PRO CB C 32.0610 0.3 1 1282 121 121 PRO CG C 27.5000 0.3 1 1283 121 121 PRO CD C 50.8300 0.3 1 1284 122 122 GLU H H 8.6240 0.02 1 1285 122 122 GLU HA H 4.2500 0.02 1 1286 122 122 GLU HB2 H 1.9600 0.02 2 1287 122 122 GLU HB3 H 2.0200 0.02 2 1288 122 122 GLU HG2 H 2.2670 0.02 2 1289 122 122 GLU HG3 H 2.2670 0.02 2 1290 122 122 GLU C C 176.4230 0.3 1 1291 122 122 GLU CA C 56.7020 0.3 1 1292 122 122 GLU CB C 30.2550 0.3 1 1293 122 122 GLU CG C 36.5000 0.3 1 1294 122 122 GLU N N 121.4770 0.2 1 1295 123 123 GLN H H 8.4760 0.02 1 1296 123 123 GLN HA H 4.3600 0.02 1 1297 123 123 GLN HB2 H 1.9830 0.02 2 1298 123 123 GLN HB3 H 2.0960 0.02 2 1299 123 123 GLN HG2 H 2.3500 0.02 2 1300 123 123 GLN HG3 H 2.3500 0.02 2 1301 123 123 GLN HE21 H 6.8310 0.02 2 1302 123 123 GLN HE22 H 7.5690 0.02 2 1303 123 123 GLN C C 175.6370 0.3 1 1304 123 123 GLN CA C 55.7280 0.3 1 1305 123 123 GLN CB C 29.6380 0.3 1 1306 123 123 GLN CG C 34.1000 0.3 1 1307 123 123 GLN N N 122.4630 0.2 1 1308 123 123 GLN NE2 N 112.4400 0.2 1 1309 124 124 LYS H H 8.4840 0.02 1 1310 124 124 LYS HA H 4.3550 0.02 1 1311 124 124 LYS HB2 H 1.7760 0.02 2 1312 124 124 LYS HB3 H 1.8430 0.02 2 1313 124 124 LYS HG2 H 1.4240 0.02 2 1314 124 124 LYS HG3 H 1.4240 0.02 2 1315 124 124 LYS HD2 H 1.6800 0.02 2 1316 124 124 LYS HD3 H 1.6800 0.02 2 1317 124 124 LYS HE2 H 3.0000 0.02 2 1318 124 124 LYS HE3 H 3.0000 0.02 2 1319 124 124 LYS C C 176.4970 0.3 1 1320 124 124 LYS CA C 56.2210 0.3 1 1321 124 124 LYS CB C 33.1330 0.3 1 1322 124 124 LYS CG C 24.7200 0.3 1 1323 124 124 LYS CD C 29.1700 0.3 1 1324 124 124 LYS CE C 42.2700 0.3 1 1325 124 124 LYS N N 123.7930 0.2 1 1326 125 125 GLU H H 8.5880 0.02 1 1327 125 125 GLU HA H 4.2700 0.02 1 1328 125 125 GLU HB2 H 1.9600 0.02 2 1329 125 125 GLU HB3 H 2.0700 0.02 2 1330 125 125 GLU HG2 H 2.2670 0.02 2 1331 125 125 GLU HG3 H 2.2670 0.02 2 1332 125 125 GLU C C 176.9630 0.3 1 1333 125 125 GLU CA C 56.7690 0.3 1 1334 125 125 GLU CB C 30.2250 0.3 1 1335 125 125 GLU CG C 36.4500 0.3 1 1336 125 125 GLU N N 122.7790 0.2 1 1337 126 126 GLY H H 8.5020 0.02 1 1338 126 126 GLY HA2 H 3.9830 0.02 2 1339 126 126 GLY HA3 H 3.9830 0.02 2 1340 126 126 GLY C C 173.8440 0.3 1 1341 126 126 GLY CA C 45.2720 0.3 1 1342 126 126 GLY N N 110.2310 0.2 1 1343 127 127 ASP H H 8.2850 0.02 1 1344 127 127 ASP HA H 4.6920 0.02 1 1345 127 127 ASP HB2 H 2.6550 0.02 2 1346 127 127 ASP HB3 H 2.7430 0.02 2 1347 127 127 ASP C C 176.7180 0.3 1 1348 127 127 ASP CA C 54.3490 0.3 1 1349 127 127 ASP CB C 41.3330 0.3 1 1350 127 127 ASP N N 120.7530 0.2 1 1351 128 128 THR H H 8.1920 0.02 1 1352 128 128 THR HA H 4.3120 0.02 1 1353 128 128 THR HB H 4.2620 0.02 1 1354 128 128 THR HG2 H 1.2060 0.02 1 1355 128 128 THR C C 174.7040 0.3 1 1356 128 128 THR CA C 62.0870 0.3 1 1357 128 128 THR CB C 69.6950 0.3 1 1358 128 128 THR CG2 C 21.6600 0.3 1 1359 128 128 THR N N 114.6390 0.2 1 1360 129 129 LYS H H 8.3630 0.02 1 1361 129 129 LYS HA H 4.3580 0.02 1 1362 129 129 LYS HB2 H 1.8280 0.02 2 1363 129 129 LYS HB3 H 1.8280 0.02 2 1364 129 129 LYS HG2 H 1.4220 0.02 2 1365 129 129 LYS HG3 H 1.4220 0.02 2 1366 129 129 LYS HD2 H 1.6840 0.02 2 1367 129 129 LYS HD3 H 1.6840 0.02 2 1368 129 129 LYS HE2 H 3.0000 0.02 2 1369 129 129 LYS HE3 H 3.0000 0.02 2 1370 129 129 LYS C C 176.2510 0.3 1 1371 129 129 LYS CA C 56.5480 0.3 1 1372 129 129 LYS CB C 32.9000 0.3 1 1373 129 129 LYS CG C 24.8400 0.3 1 1374 129 129 LYS CD C 29.2300 0.3 1 1375 129 129 LYS CE C 42.2600 0.3 1 1376 129 129 LYS N N 123.6460 0.2 1 1377 130 130 ASP H H 8.3680 0.02 1 1378 130 130 ASP HA H 4.5720 0.02 1 1379 130 130 ASP HB2 H 2.6050 0.02 2 1380 130 130 ASP HB3 H 2.7050 0.02 2 1381 130 130 ASP C C 175.9100 0.3 1 1382 130 130 ASP CA C 54.3430 0.3 1 1383 130 130 ASP CB C 41.2760 0.3 1 1384 130 130 ASP N N 121.4740 0.2 1 1385 131 131 LYS H H 8.1800 0.02 1 1386 131 131 LYS HA H 4.3090 0.02 1 1387 131 131 LYS HB2 H 1.7650 0.02 2 1388 131 131 LYS HB3 H 1.8340 0.02 2 1389 131 131 LYS HG2 H 1.4200 0.02 2 1390 131 131 LYS HG3 H 1.4200 0.02 2 1391 131 131 LYS HD2 H 1.6800 0.02 2 1392 131 131 LYS HD3 H 1.6800 0.02 2 1393 131 131 LYS HE2 H 3.0000 0.02 2 1394 131 131 LYS HE3 H 3.0000 0.02 2 1395 131 131 LYS C C 176.4230 0.3 1 1396 131 131 LYS CA C 56.2670 0.3 1 1397 131 131 LYS CB C 33.0020 0.3 1 1398 131 131 LYS CG C 24.7900 0.3 1 1399 131 131 LYS CD C 29.1400 0.3 1 1400 131 131 LYS CE C 42.3000 0.3 1 1401 131 131 LYS N N 121.9600 0.2 1 1402 132 132 LYS H H 8.4730 0.02 1 1403 132 132 LYS HA H 4.3470 0.02 1 1404 132 132 LYS HB2 H 1.7700 0.02 2 1405 132 132 LYS HB3 H 1.8400 0.02 2 1406 132 132 LYS HG2 H 1.4300 0.02 2 1407 132 132 LYS HG3 H 1.4300 0.02 2 1408 132 132 LYS HD2 H 1.6700 0.02 2 1409 132 132 LYS HD3 H 1.6700 0.02 2 1410 132 132 LYS HE2 H 3.0000 0.02 2 1411 132 132 LYS HE3 H 3.0000 0.02 2 1412 132 132 LYS C C 176.3990 0.3 1 1413 132 132 LYS CA C 56.2210 0.3 1 1414 132 132 LYS CB C 32.9790 0.3 1 1415 132 132 LYS CG C 24.8000 0.3 1 1416 132 132 LYS CD C 29.3000 0.3 1 1417 132 132 LYS CE C 42.3000 0.3 1 1418 132 132 LYS N N 123.4790 0.2 1 1419 133 133 ASP H H 8.4340 0.02 1 1420 133 133 ASP HA H 4.5970 0.02 1 1421 133 133 ASP HB2 H 2.6050 0.02 2 1422 133 133 ASP HB3 H 2.7390 0.02 2 1423 133 133 ASP C C 176.2340 0.3 1 1424 133 133 ASP CA C 54.7660 0.3 1 1425 133 133 ASP CB C 41.0950 0.3 1 1426 133 133 ASP N N 121.8820 0.2 1 1427 134 134 GLU H H 8.3710 0.02 1 1428 134 134 GLU HA H 4.3040 0.02 1 1429 134 134 GLU HB2 H 2.1110 0.02 2 1430 134 134 GLU HB3 H 1.9410 0.02 2 1431 134 134 GLU HG2 H 2.2700 0.02 2 1432 134 134 GLU HG3 H 2.2700 0.02 2 1433 134 134 GLU C C 176.4480 0.3 1 1434 134 134 GLU CA C 56.7170 0.3 1 1435 134 134 GLU CB C 30.2810 0.3 1 1436 134 134 GLU CG C 36.3800 0.3 1 1437 134 134 GLU N N 120.6530 0.2 1 1438 135 135 GLU H H 8.3810 0.02 1 1439 135 135 GLU HA H 4.3090 0.02 1 1440 135 135 GLU HB2 H 1.9540 0.02 2 1441 135 135 GLU HB3 H 2.0790 0.02 2 1442 135 135 GLU HG2 H 2.2700 0.02 2 1443 135 135 GLU HG3 H 2.2700 0.02 2 1444 135 135 GLU C C 176.5210 0.3 1 1445 135 135 GLU CA C 56.6480 0.3 1 1446 135 135 GLU CB C 30.2980 0.3 1 1447 135 135 GLU CG C 36.4500 0.3 1 1448 135 135 GLU N N 121.4740 0.2 1 1449 136 136 GLU H H 8.3860 0.02 1 1450 136 136 GLU HA H 4.2690 0.02 1 1451 136 136 GLU HB2 H 1.9640 0.02 2 1452 136 136 GLU HB3 H 2.0410 0.02 2 1453 136 136 GLU HG2 H 2.2700 0.02 2 1454 136 136 GLU HG3 H 2.2700 0.02 2 1455 136 136 GLU C C 176.0790 0.3 1 1456 136 136 GLU CA C 56.5620 0.3 1 1457 136 136 GLU CB C 30.5630 0.3 1 1458 136 136 GLU CG C 36.5300 0.3 1 1459 136 136 GLU N N 122.0570 0.2 1 1460 137 137 ASP H H 8.4460 0.02 1 1461 137 137 ASP HA H 4.6090 0.02 1 1462 137 137 ASP HB2 H 2.6180 0.02 2 1463 137 137 ASP HB3 H 2.7790 0.02 2 1464 137 137 ASP C C 176.2510 0.3 1 1465 137 137 ASP CA C 54.3170 0.3 1 1466 137 137 ASP CB C 41.1010 0.3 1 1467 137 137 ASP N N 121.8570 0.2 1 1468 138 138 MET H H 8.3690 0.02 1 1469 138 138 MET HA H 4.5290 0.02 1 1470 138 138 MET HB2 H 2.1510 0.02 2 1471 138 138 MET HB3 H 2.0170 0.02 2 1472 138 138 MET C C 176.2620 0.3 1 1473 138 138 MET CA C 55.4360 0.3 1 1474 138 138 MET CB C 32.7170 0.3 1 1475 138 138 MET N N 121.9490 0.2 1 1476 139 139 SER H H 8.4480 0.02 1 1477 139 139 SER HA H 4.4100 0.02 1 1478 139 139 SER HB2 H 3.8900 0.02 2 1479 139 139 SER HB3 H 3.8900 0.02 2 1480 139 139 SER C C 174.4830 0.3 1 1481 139 139 SER CA C 58.6940 0.3 1 1482 139 139 SER CB C 63.7430 0.3 1 1483 139 139 SER N N 117.5070 0.2 1 1484 140 140 LEU H H 8.3220 0.02 1 1485 140 140 LEU HA H 4.4170 0.02 1 1486 140 140 LEU HB2 H 1.6430 0.02 2 1487 140 140 LEU HB3 H 1.6430 0.02 2 1488 140 140 LEU HG H 1.6350 0.02 1 1489 140 140 LEU HD1 H 0.8640 0.02 2 1490 140 140 LEU HD2 H 0.9300 0.02 2 1491 140 140 LEU C C 176.3000 0.3 1 1492 140 140 LEU CA C 55.0870 0.3 1 1493 140 140 LEU CB C 42.3370 0.3 1 1494 140 140 LEU CG C 26.8300 0.3 1 1495 140 140 LEU CD1 C 23.3400 0.3 2 1496 140 140 LEU CD2 C 25.1500 0.3 2 1497 140 140 LEU N N 124.8630 0.2 1 1498 141 141 ASP H H 7.8790 0.02 1 1499 141 141 ASP HA H 4.3970 0.02 1 1500 141 141 ASP HB2 H 2.5550 0.02 2 1501 141 141 ASP HB3 H 2.6680 0.02 2 1502 141 141 ASP C C 180.8680 0.3 1 1503 141 141 ASP CA C 55.7690 0.3 1 1504 141 141 ASP CB C 42.2450 0.3 1 1505 141 141 ASP N N 126.1490 0.2 1 stop_ save_