data_18622 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of second CARD of human RIG-I. ; _BMRB_accession_number 18622 _BMRB_flat_file_name bmr18622.str _Entry_type original _Submission_date 2012-07-27 _Accession_date 2012-07-27 _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 Dutta Kaushik . . 2 Patel Jenish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 555 "13C chemical shifts" 448 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-10-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18623 'Solution structure of mutant (T170E) second CARD of human RIG-I' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and dynamics of the second CARD of human RIG-I provide mechanistic insights into regulation of RIG-I activation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23063562 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferrage Fabien . . 2 Dutta Kaushik . . 3 Nistal-Villan Estanislao . . 4 Patel Jenish R. . 5 Sanchez-Aparicio Maria T. . 6 'De Ioannes' Pablo . . 7 Buku Angeliki . . 8 Aseguinolaza 'Gloria Gonzalez' . . 9 Garcia-Sastre Adolfo . . 10 Aggarwal Aneel K. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2048 _Page_last 2061 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'second CARD of human RIG-I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second CARD of human RIG-I' $card2 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_card2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'second CARD of human RIG-I' _Molecular_mass 11369.512 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSHMKKIEKLEEYRLLLKRL QPEFKTRIIPTDIISDLSEC LINQECEEILQICSTKGMMA GAEKLVECLLRSDKENWPKT LKLALEKERNKFSELWIVEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLY 2 92 SER 3 93 HIS 4 94 MET 5 95 LYS 6 96 LYS 7 97 ILE 8 98 GLU 9 99 LYS 10 100 LEU 11 101 GLU 12 102 GLU 13 103 TYR 14 104 ARG 15 105 LEU 16 106 LEU 17 107 LEU 18 108 LYS 19 109 ARG 20 110 LEU 21 111 GLN 22 112 PRO 23 113 GLU 24 114 PHE 25 115 LYS 26 116 THR 27 117 ARG 28 118 ILE 29 119 ILE 30 120 PRO 31 121 THR 32 122 ASP 33 123 ILE 34 124 ILE 35 125 SER 36 126 ASP 37 127 LEU 38 128 SER 39 129 GLU 40 130 CYS 41 131 LEU 42 132 ILE 43 133 ASN 44 134 GLN 45 135 GLU 46 136 CYS 47 137 GLU 48 138 GLU 49 139 ILE 50 140 LEU 51 141 GLN 52 142 ILE 53 143 CYS 54 144 SER 55 145 THR 56 146 LYS 57 147 GLY 58 148 MET 59 149 MET 60 150 ALA 61 151 GLY 62 152 ALA 63 153 GLU 64 154 LYS 65 155 LEU 66 156 VAL 67 157 GLU 68 158 CYS 69 159 LEU 70 160 LEU 71 161 ARG 72 162 SER 73 163 ASP 74 164 LYS 75 165 GLU 76 166 ASN 77 167 TRP 78 168 PRO 79 169 LYS 80 170 THR 81 171 LEU 82 172 LYS 83 173 LEU 84 174 ALA 85 175 LEU 86 176 GLU 87 177 LYS 88 178 GLU 89 179 ARG 90 180 ASN 91 181 LYS 92 182 PHE 93 183 SER 94 184 GLU 95 185 LEU 96 186 TRP 97 187 ILE 98 188 VAL 99 189 GLU 100 190 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 18623 "mutant (T170E) second CARD of human RIG-I" 100.00 100 99.00 99.00 5.17e-62 PDB 2LWD "Solution Structure Of Second Card Of Human Rig-I" 100.00 100 100.00 100.00 4.86e-63 PDB 2LWE "Solution Structure Of Mutant (T170e) Second Card Of Human Rig-I" 100.00 100 99.00 99.00 5.17e-62 PDB 4NQK "Structure Of An Ubiquitin Complex" 97.00 203 98.97 98.97 1.52e-58 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 97.00 205 98.97 98.97 8.97e-59 DBJ BAG11006 "ATP-dependent RNA helicase DDX58 [synthetic construct]" 97.00 925 98.97 98.97 1.53e-54 DBJ BAG54273 "unnamed protein product [Homo sapiens]" 97.00 854 98.97 98.97 1.28e-54 EMBL CAI46068 "hypothetical protein [Homo sapiens]" 97.00 703 98.97 98.97 3.21e-55 GB AAD19826 "RNA helicase [Homo sapiens]" 97.00 925 98.97 98.97 1.49e-54 GB AAI07732 "DDX58 protein, partial [Homo sapiens]" 97.00 251 98.97 98.97 5.46e-58 GB AAI32787 "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" 97.00 925 98.97 98.97 1.53e-54 GB AAI36611 "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" 97.00 925 98.97 98.97 1.53e-54 GB EAW58547 "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58, isoform CRA_a, partial [Homo sapiens]" 97.00 703 98.97 98.97 3.09e-55 REF NP_055129 "probable ATP-dependent RNA helicase DDX58 [Homo sapiens]" 97.00 925 98.97 98.97 1.53e-54 REF XP_001156662 "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Pan troglodytes]" 97.00 925 98.97 98.97 1.53e-54 REF XP_002819761 "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pongo abelii]" 97.00 925 98.97 98.97 1.69e-54 REF XP_003830148 "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pan paniscus]" 97.00 925 98.97 98.97 1.58e-54 REF XP_004047964 "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Gorilla gorilla gorilla]" 97.00 890 98.97 98.97 1.03e-54 SP O95786 "RecName: Full=Probable ATP-dependent RNA helicase DDX58; AltName: Full=DEAD box protein 58; AltName: Full=RIG-I-like receptor 1" 97.00 925 98.97 98.97 1.53e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $card2 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 $card2 'recombinant technology' . Escherichia coli 'BL21(DE3) codon plus RPL' pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $card2 300 uM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C-15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $card2 300 uM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '13C-15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $card2 300 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details ARIA/CNS save_ save_NMRView _Saveframe_category software _Name NMRView _Version 8.3 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 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 refinement 'structure solution' stop_ _Details CNS save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details CryoProbe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details CryoProbe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details CryoProbe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 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' 250 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . 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' '3D HNCO' '3D HNCACB' '3D HCACO' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'second CARD of human RIG-I' _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 93 3 HIS HA H 4.6540 0.03 1 2 93 3 HIS HB2 H 3.1200 0.03 2 3 93 3 HIS HB3 H 3.2010 0.03 2 4 93 3 HIS HD2 H 7.1936 0.03 1 5 93 3 HIS HE1 H 8.2733 0.03 1 6 93 3 HIS C C 175.1346 0.09 1 7 93 3 HIS CA C 56.4113 0.40 1 8 93 3 HIS CB C 30.1458 0.40 1 9 93 3 HIS CD2 C 119.8590 0.32 1 10 93 3 HIS CE1 C 137.2654 0.32 1 11 94 4 MET H H 8.3202 0.01 1 12 94 4 MET HA H 4.4030 0.03 1 13 94 4 MET HB2 H 2.0160 0.03 2 14 94 4 MET HG2 H 2.5160 0.03 2 15 94 4 MET HG3 H 2.4600 0.03 2 16 94 4 MET C C 176.2231 0.09 1 17 94 4 MET CA C 55.7959 0.40 1 18 94 4 MET CB C 32.9724 0.40 1 19 94 4 MET CG C 31.9540 0.32 1 20 94 4 MET N N 121.5315 0.05 1 21 95 5 LYS H H 8.3685 0.01 1 22 95 5 LYS HA H 4.2760 0.03 1 23 95 5 LYS HB2 H 1.7960 0.03 2 24 95 5 LYS HG2 H 1.4400 0.03 2 25 95 5 LYS HD2 H 1.7920 0.03 2 26 95 5 LYS HD3 H 1.0660 0.03 2 27 95 5 LYS HE2 H 2.9950 0.03 2 28 95 5 LYS C C 176.7776 0.09 1 29 95 5 LYS CA C 56.7052 0.40 1 30 95 5 LYS CB C 32.9824 0.40 1 31 95 5 LYS CG C 24.8140 0.32 1 32 95 5 LYS CD C 28.9870 0.32 1 33 95 5 LYS CE C 42.2680 0.32 1 34 95 5 LYS N N 123.0082 0.05 1 35 96 6 LYS H H 8.3575 0.01 1 36 96 6 LYS HA H 4.2450 0.03 1 37 96 6 LYS HB2 H 1.8120 0.03 2 38 96 6 LYS HG2 H 1.4610 0.03 2 39 96 6 LYS HG3 H 1.3820 0.03 2 40 96 6 LYS HD2 H 1.8170 0.03 2 41 96 6 LYS HD3 H 1.6970 0.03 2 42 96 6 LYS HE2 H 2.9940 0.03 2 43 96 6 LYS C C 177.0468 0.09 1 44 96 6 LYS CA C 57.2476 0.40 1 45 96 6 LYS CB C 32.8880 0.40 1 46 96 6 LYS CG C 24.9010 0.32 1 47 96 6 LYS CD C 29.2810 0.32 1 48 96 6 LYS CE C 42.3810 0.32 1 49 96 6 LYS N N 123.1656 0.05 1 50 97 7 ILE H H 8.2095 0.01 1 51 97 7 ILE HA H 4.1290 0.03 1 52 97 7 ILE HB H 1.9120 0.03 1 53 97 7 ILE HG12 H 1.2490 0.03 2 54 97 7 ILE HG13 H 1.5150 0.03 2 55 97 7 ILE HG2 H 0.9260 0.03 1 56 97 7 ILE HD1 H 0.8530 0.03 1 57 97 7 ILE C C 176.7163 0.09 1 58 97 7 ILE CA C 61.7369 0.40 1 59 97 7 ILE CB C 38.2242 0.40 1 60 97 7 ILE CG1 C 27.2850 0.32 1 61 97 7 ILE CG2 C 17.7850 0.32 1 62 97 7 ILE CD1 C 12.9580 0.32 1 63 97 7 ILE N N 122.1781 0.05 1 64 98 8 GLU H H 8.4948 0.01 1 65 98 8 GLU HA H 4.2470 0.03 1 66 98 8 GLU HB2 H 2.0760 0.03 2 67 98 8 GLU HG2 H 2.3220 0.03 2 68 98 8 GLU C C 178.0344 0.09 1 69 98 8 GLU CA C 57.8335 0.40 1 70 98 8 GLU CB C 30.0026 0.40 1 71 98 8 GLU CG C 36.4830 0.32 1 72 98 8 GLU N N 125.2071 0.05 1 73 99 9 LYS H H 8.4360 0.01 1 74 99 9 LYS HA H 4.1780 0.03 1 75 99 9 LYS HB2 H 1.9010 0.03 2 76 99 9 LYS HG2 H 1.5140 0.03 2 77 99 9 LYS HG3 H 1.4200 0.03 2 78 99 9 LYS HD2 H 1.6940 0.03 2 79 99 9 LYS HE2 H 2.9550 0.03 2 80 99 9 LYS C C 177.9431 0.09 1 81 99 9 LYS CA C 58.0483 0.40 1 82 99 9 LYS CB C 32.3714 0.40 1 83 99 9 LYS CG C 24.8640 0.32 1 84 99 9 LYS CD C 28.7330 0.32 1 85 99 9 LYS CE C 42.1000 0.32 1 86 99 9 LYS N N 121.5088 0.05 1 87 100 10 LEU H H 8.2427 0.01 1 88 100 10 LEU HA H 4.3430 0.03 1 89 100 10 LEU HB2 H 1.8760 0.03 2 90 100 10 LEU HB3 H 1.7770 0.03 2 91 100 10 LEU HG H 1.7660 0.03 1 92 100 10 LEU HD1 H 0.9850 0.03 2 93 100 10 LEU HD2 H 0.8840 0.03 2 94 100 10 LEU C C 179.1683 0.09 1 95 100 10 LEU CA C 57.6754 0.40 1 96 100 10 LEU CB C 42.7917 0.40 1 97 100 10 LEU CD1 C 24.3090 0.32 2 98 100 10 LEU CD2 C 24.3090 0.32 2 99 100 10 LEU N N 118.3984 0.05 1 100 101 11 GLU H H 8.1024 0.01 1 101 101 11 GLU HA H 4.1530 0.03 1 102 101 11 GLU HB2 H 2.1780 0.03 2 103 101 11 GLU HB3 H 2.0940 0.03 2 104 101 11 GLU HG2 H 2.3790 0.03 2 105 101 11 GLU C C 178.6907 0.09 1 106 101 11 GLU CA C 59.8196 0.40 1 107 101 11 GLU CB C 29.2084 0.40 1 108 101 11 GLU CG C 35.5640 0.32 1 109 101 11 GLU N N 119.0411 0.05 1 110 102 12 GLU H H 8.0117 0.01 1 111 102 12 GLU HA H 3.9500 0.03 1 112 102 12 GLU HB2 H 1.8800 0.03 2 113 102 12 GLU HB3 H 1.6990 0.03 2 114 102 12 GLU HG2 H 2.0070 0.03 2 115 102 12 GLU HG3 H 1.8780 0.03 2 116 102 12 GLU C C 179.4668 0.09 1 117 102 12 GLU CA C 59.5949 0.40 1 118 102 12 GLU CB C 28.7983 0.40 1 119 102 12 GLU CG C 35.9640 0.32 1 120 102 12 GLU N N 117.8588 0.05 1 121 103 13 TYR H H 7.4885 0.01 1 122 103 13 TYR HA H 4.3010 0.03 1 123 103 13 TYR HB2 H 2.9410 0.03 2 124 103 13 TYR HB3 H 2.6130 0.03 2 125 103 13 TYR HD1 H 6.7042 0.03 3 126 103 13 TYR HE1 H 6.5605 0.03 3 127 103 13 TYR C C 178.2236 0.09 1 128 103 13 TYR CA C 62.3145 0.40 1 129 103 13 TYR CB C 38.2192 0.40 1 130 103 13 TYR CD1 C 132.6071 0.32 3 131 103 13 TYR CE1 C 118.2719 0.32 3 132 103 13 TYR N N 118.7822 0.05 1 133 104 14 ARG H H 8.6655 0.01 1 134 104 14 ARG HA H 4.2650 0.03 1 135 104 14 ARG HB2 H 2.2160 0.03 2 136 104 14 ARG HB3 H 2.0180 0.03 2 137 104 14 ARG HD2 H 3.4970 0.03 2 138 104 14 ARG C C 178.3993 0.09 1 139 104 14 ARG CA C 60.6141 0.40 1 140 104 14 ARG CB C 30.5148 0.40 1 141 104 14 ARG CG C 29.0890 0.32 1 142 104 14 ARG N N 121.2590 0.05 1 143 105 15 LEU H H 8.0838 0.01 1 144 105 15 LEU HA H 4.0490 0.03 1 145 105 15 LEU HB2 H 1.8700 0.03 2 146 105 15 LEU HB3 H 1.5570 0.03 2 147 105 15 LEU HG H 1.5500 0.03 1 148 105 15 LEU HD1 H 0.9440 0.03 2 149 105 15 LEU HD2 H 0.9250 0.03 2 150 105 15 LEU C C 179.9562 0.09 1 151 105 15 LEU CA C 58.0698 0.40 1 152 105 15 LEU CB C 41.7000 0.40 1 153 105 15 LEU CG C 26.7880 0.32 1 154 105 15 LEU CD1 C 25.0210 0.32 2 155 105 15 LEU CD2 C 23.3900 0.32 2 156 105 15 LEU N N 118.2279 0.05 1 157 106 16 LEU H H 7.9020 0.01 1 158 106 16 LEU HA H 4.2430 0.03 1 159 106 16 LEU HB2 H 2.1140 0.03 2 160 106 16 LEU HB3 H 1.6000 0.03 2 161 106 16 LEU HG H 1.6360 0.03 1 162 106 16 LEU HD1 H 0.5580 0.03 2 163 106 16 LEU HD2 H 1.0330 0.03 2 164 106 16 LEU C C 178.1292 0.09 1 165 106 16 LEU CA C 58.0467 0.40 1 166 106 16 LEU CB C 42.0419 0.40 1 167 106 16 LEU CG C 27.0390 0.32 1 168 106 16 LEU CD1 C 25.4170 0.32 2 169 106 16 LEU CD2 C 23.0910 0.32 2 170 106 16 LEU N N 121.3522 0.05 1 171 107 17 LEU H H 8.7963 0.01 1 172 107 17 LEU HA H 4.3560 0.03 1 173 107 17 LEU HB2 H 2.2130 0.03 2 174 107 17 LEU HB3 H 2.0950 0.03 2 175 107 17 LEU HG H 1.3290 0.03 1 176 107 17 LEU HD1 H 0.4970 0.03 2 177 107 17 LEU HD2 H 0.3300 0.03 2 178 107 17 LEU C C 178.0138 0.09 1 179 107 17 LEU CA C 58.3105 0.40 1 180 107 17 LEU CB C 41.1009 0.40 1 181 107 17 LEU CG C 27.7220 0.32 1 182 107 17 LEU CD1 C 27.5940 0.32 2 183 107 17 LEU CD2 C 22.1450 0.32 2 184 107 17 LEU N N 118.8978 0.05 1 185 108 18 LYS H H 8.1834 0.01 1 186 108 18 LYS HA H 3.9520 0.03 1 187 108 18 LYS HB2 H 1.9790 0.03 2 188 108 18 LYS HG2 H 1.4540 0.03 2 189 108 18 LYS HG3 H 1.6410 0.03 2 190 108 18 LYS HD2 H 1.6710 0.03 2 191 108 18 LYS HE2 H 2.9400 0.03 2 192 108 18 LYS C C 180.3266 0.09 1 193 108 18 LYS CA C 59.9803 0.40 1 194 108 18 LYS CB C 32.2370 0.40 1 195 108 18 LYS CG C 25.8140 0.32 1 196 108 18 LYS CD C 29.2070 0.32 1 197 108 18 LYS CE C 42.0770 0.32 1 198 108 18 LYS N N 115.7069 0.05 1 199 109 19 ARG H H 8.1260 0.01 1 200 109 19 ARG HA H 4.2160 0.03 1 201 109 19 ARG HB2 H 2.1680 0.03 2 202 109 19 ARG HB3 H 2.3100 0.03 2 203 109 19 ARG HG2 H 1.8600 0.03 2 204 109 19 ARG HD2 H 3.2780 0.03 2 205 109 19 ARG HD3 H 3.4300 0.03 2 206 109 19 ARG C C 178.3626 0.09 1 207 109 19 ARG CA C 59.5306 0.40 1 208 109 19 ARG CB C 29.9523 0.40 1 209 109 19 ARG CG C 27.6320 0.32 1 210 109 19 ARG CD C 43.9910 0.32 1 211 109 19 ARG N N 119.7166 0.05 1 212 110 20 LEU H H 8.1584 0.01 1 213 110 20 LEU HA H 4.8680 0.03 1 214 110 20 LEU HB2 H 2.2550 0.03 2 215 110 20 LEU HG H 2.1340 0.03 1 216 110 20 LEU HD1 H 1.1180 0.03 2 217 110 20 LEU HD2 H 1.0380 0.03 2 218 110 20 LEU C C 177.0164 0.09 1 219 110 20 LEU CA C 54.2397 0.40 1 220 110 20 LEU CB C 43.2585 0.40 1 221 110 20 LEU CG C 26.9670 0.32 1 222 110 20 LEU CD1 C 26.9670 0.32 2 223 110 20 LEU CD2 C 22.5630 0.32 2 224 110 20 LEU N N 117.3097 0.05 1 225 111 21 GLN H H 7.6428 0.01 1 226 111 21 GLN HA H 4.8400 0.03 1 227 111 21 GLN HB2 H 1.7800 0.03 2 228 111 21 GLN HG2 H 2.3900 0.03 2 229 111 21 GLN CA C 62.3694 0.40 1 230 111 21 GLN CB C 26.8346 0.40 1 231 111 21 GLN N N 123.2689 0.05 1 232 112 22 PRO HA H 4.2360 0.03 1 233 112 22 PRO HB2 H 2.4090 0.03 2 234 112 22 PRO HB3 H 1.9160 0.03 2 235 112 22 PRO HG2 H 2.0500 0.03 2 236 112 22 PRO HG3 H 2.2000 0.03 2 237 112 22 PRO HD2 H 3.8500 0.03 2 238 112 22 PRO C C 179.5040 0.09 1 239 112 22 PRO CA C 66.7293 0.40 1 240 112 22 PRO CB C 31.0764 0.40 1 241 112 22 PRO CG C 24.7140 0.32 1 242 112 22 PRO CD C 50.0060 0.32 1 243 113 23 GLU H H 7.9347 0.01 1 244 113 23 GLU HA H 4.1420 0.03 1 245 113 23 GLU HB2 H 2.4620 0.03 2 246 113 23 GLU HB3 H 2.0650 0.03 2 247 113 23 GLU HG2 H 2.4820 0.03 2 248 113 23 GLU HG3 H 2.2910 0.03 2 249 113 23 GLU C C 178.0661 0.09 1 250 113 23 GLU CA C 59.0987 0.40 1 251 113 23 GLU CB C 29.5698 0.40 1 252 113 23 GLU CG C 36.4840 0.32 1 253 113 23 GLU N N 117.2318 0.05 1 254 114 24 PHE H H 8.8865 0.01 1 255 114 24 PHE HA H 3.1230 0.03 1 256 114 24 PHE HB2 H 3.0410 0.03 2 257 114 24 PHE HB3 H 2.4540 0.03 2 258 114 24 PHE HD1 H 6.2240 0.03 3 259 114 24 PHE HE1 H 6.7151 0.03 3 260 114 24 PHE HZ H 6.5557 0.03 1 261 114 24 PHE C C 177.1697 0.09 1 262 114 24 PHE CA C 60.9000 0.40 1 263 114 24 PHE CB C 39.9073 0.40 1 264 114 24 PHE CD1 C 132.6460 0.32 3 265 114 24 PHE CE1 C 129.8437 0.32 3 266 114 24 PHE CZ C 127.6371 0.32 1 267 114 24 PHE N N 122.3254 0.05 1 268 115 25 LYS H H 8.4553 0.01 1 269 115 25 LYS HA H 3.9300 0.03 1 270 115 25 LYS HB2 H 1.9970 0.03 2 271 115 25 LYS HB3 H 1.7820 0.03 2 272 115 25 LYS HG2 H 1.4130 0.03 2 273 115 25 LYS HD2 H 1.6040 0.03 2 274 115 25 LYS HD3 H 1.6700 0.03 2 275 115 25 LYS HE2 H 2.9400 0.03 2 276 115 25 LYS C C 176.0698 0.09 1 277 115 25 LYS CA C 59.3360 0.40 1 278 115 25 LYS CB C 32.2883 0.40 1 279 115 25 LYS CG C 25.1350 0.32 1 280 115 25 LYS CD C 30.0460 0.32 1 281 115 25 LYS CE C 42.3500 0.32 1 282 115 25 LYS N N 113.4714 0.05 1 283 116 26 THR H H 7.1514 0.01 1 284 116 26 THR HA H 4.2920 0.03 1 285 116 26 THR HB H 4.2920 0.03 1 286 116 26 THR HG2 H 1.2820 0.03 1 287 116 26 THR C C 176.0168 0.09 1 288 116 26 THR CA C 63.5265 0.40 1 289 116 26 THR CB C 70.0027 0.40 1 290 116 26 THR CG2 C 21.8750 0.32 1 291 116 26 THR N N 106.4866 0.05 1 292 117 27 ARG H H 7.4944 0.01 1 293 117 27 ARG HA H 4.4170 0.03 1 294 117 27 ARG HB2 H 2.0870 0.03 2 295 117 27 ARG HB3 H 1.5840 0.03 2 296 117 27 ARG HG2 H 1.7680 0.03 2 297 117 27 ARG HG3 H 1.5920 0.03 2 298 117 27 ARG HD2 H 3.0650 0.03 2 299 117 27 ARG HD3 H 3.0300 0.03 2 300 117 27 ARG C C 175.9960 0.09 1 301 117 27 ARG CA C 56.7963 0.40 1 302 117 27 ARG CB C 32.6432 0.40 1 303 117 27 ARG CD C 43.9190 0.32 1 304 117 27 ARG N N 118.1613 0.05 1 305 118 28 ILE H H 7.5058 0.01 1 306 118 28 ILE HA H 3.8120 0.03 1 307 118 28 ILE HB H 1.1500 0.03 1 308 118 28 ILE HG12 H 0.2530 0.03 2 309 118 28 ILE HG13 H -0.4500 0.03 2 310 118 28 ILE HG2 H 0.0800 0.03 1 311 118 28 ILE HD1 H -0.2170 0.03 1 312 118 28 ILE C C 173.9687 0.09 1 313 118 28 ILE CA C 59.2756 0.40 1 314 118 28 ILE CB C 36.3615 0.40 1 315 118 28 ILE CG1 C 27.3000 0.32 1 316 118 28 ILE CG2 C 17.5500 0.32 1 317 118 28 ILE CD1 C 11.8640 0.32 1 318 118 28 ILE N N 120.5959 0.05 1 319 119 29 ILE H H 8.5218 0.01 1 320 119 29 ILE HA H 4.4320 0.03 1 321 119 29 ILE HB H 2.1090 0.03 1 322 119 29 ILE HG12 H 1.4000 0.03 2 323 119 29 ILE HG13 H 1.2000 0.03 2 324 119 29 ILE HG2 H 0.9000 0.03 1 325 119 29 ILE HD1 H 0.7750 0.03 1 326 119 29 ILE CA C 56.5706 0.40 1 327 119 29 ILE CB C 36.3487 0.40 1 328 119 29 ILE CG1 C 26.6000 0.32 1 329 119 29 ILE CG2 C 17.7000 0.32 1 330 119 29 ILE CD1 C 11.3000 0.32 1 331 119 29 ILE N N 129.0754 0.05 1 332 120 30 PRO HA H 3.7090 0.03 1 333 120 30 PRO HB2 H 1.8130 0.03 2 334 120 30 PRO HG2 H 1.9820 0.03 2 335 120 30 PRO HG3 H 1.5050 0.03 2 336 120 30 PRO HD2 H 4.0500 0.03 2 337 120 30 PRO HD3 H 4.3040 0.03 2 338 120 30 PRO C C 176.6873 0.09 1 339 120 30 PRO CA C 65.7435 0.40 1 340 120 30 PRO CB C 32.6245 0.40 1 341 120 30 PRO CG C 27.8590 0.32 1 342 120 30 PRO CD C 51.4150 0.32 1 343 121 31 THR H H 6.7396 0.01 1 344 121 31 THR HA H 4.2240 0.03 1 345 121 31 THR HB H 3.7160 0.03 1 346 121 31 THR HG2 H 1.1980 0.03 1 347 121 31 THR C C 175.9592 0.09 1 348 121 31 THR CA C 64.2585 0.40 1 349 121 31 THR CB C 67.2528 0.40 1 350 121 31 THR CG2 C 23.2940 0.32 1 351 121 31 THR N N 127.9526 0.05 1 352 122 32 ASP H H 7.4592 0.01 1 353 122 32 ASP HA H 4.6220 0.03 1 354 122 32 ASP HB2 H 2.7160 0.03 2 355 122 32 ASP C C 176.9246 0.09 1 356 122 32 ASP CA C 56.1479 0.40 1 357 122 32 ASP CB C 41.2299 0.40 1 358 122 32 ASP N N 120.2084 0.05 1 359 123 33 ILE H H 6.8423 0.01 1 360 123 33 ILE HA H 4.8950 0.03 1 361 123 33 ILE HB H 1.8260 0.03 1 362 123 33 ILE HG12 H 1.3580 0.03 2 363 123 33 ILE HG13 H 1.5050 0.03 2 364 123 33 ILE HG2 H 0.6950 0.03 1 365 123 33 ILE HD1 H 0.5600 0.03 1 366 123 33 ILE C C 177.0199 0.09 1 367 123 33 ILE CA C 61.1138 0.40 1 368 123 33 ILE CB C 41.0340 0.40 1 369 123 33 ILE CG1 C 27.4000 0.32 1 370 123 33 ILE CG2 C 16.5000 0.32 1 371 123 33 ILE CD1 C 14.4610 0.32 1 372 123 33 ILE N N 110.2648 0.05 1 373 124 34 ILE H H 7.5613 0.01 1 374 124 34 ILE HA H 3.7500 0.03 1 375 124 34 ILE HB H 1.9010 0.03 1 376 124 34 ILE HG12 H 1.2510 0.03 2 377 124 34 ILE HG13 H 1.3700 0.03 2 378 124 34 ILE HG2 H 0.9100 0.03 1 379 124 34 ILE HD1 H 0.8010 0.03 1 380 124 34 ILE C C 177.1324 0.09 1 381 124 34 ILE CA C 63.7353 0.40 1 382 124 34 ILE CB C 37.7184 0.40 1 383 124 34 ILE CG1 C 28.4890 0.32 1 384 124 34 ILE CG2 C 18.5440 0.32 1 385 124 34 ILE CD1 C 14.8400 0.32 1 386 124 34 ILE N N 121.7413 0.05 1 387 125 35 SER H H 8.3790 0.01 1 388 125 35 SER HA H 3.8800 0.03 1 389 125 35 SER HB2 H 4.1890 0.03 2 390 125 35 SER C C 177.0283 0.09 1 391 125 35 SER CA C 62.0640 0.40 1 392 125 35 SER CB C 61.9170 0.40 1 393 125 35 SER N N 117.2124 0.05 1 394 126 36 ASP H H 7.7101 0.01 1 395 126 36 ASP HA H 4.6730 0.03 1 396 126 36 ASP HB2 H 2.7460 0.03 2 397 126 36 ASP HB3 H 2.6670 0.03 2 398 126 36 ASP C C 177.2563 0.09 1 399 126 36 ASP CA C 56.0375 0.40 1 400 126 36 ASP CB C 41.2302 0.40 1 401 126 36 ASP N N 119.9879 0.05 1 402 127 37 LEU H H 7.5845 0.01 1 403 127 37 LEU HA H 4.4370 0.03 1 404 127 37 LEU HB2 H 1.6590 0.03 2 405 127 37 LEU HB3 H 1.7140 0.03 2 406 127 37 LEU HG H 1.6420 0.03 1 407 127 37 LEU HD1 H 0.7420 0.03 2 408 127 37 LEU HD2 H 0.7840 0.03 2 409 127 37 LEU C C 177.6051 0.09 1 410 127 37 LEU CA C 54.2549 0.40 1 411 127 37 LEU CB C 42.1197 0.40 1 412 127 37 LEU CG C 26.6120 0.32 1 413 127 37 LEU CD1 C 26.6120 0.32 2 414 127 37 LEU CD2 C 22.9520 0.32 2 415 127 37 LEU N N 117.8407 0.05 1 416 128 38 SER H H 7.6565 0.01 1 417 128 38 SER HA H 4.1780 0.03 1 418 128 38 SER HB2 H 4.0440 0.03 2 419 128 38 SER C C 175.5517 0.09 1 420 128 38 SER CA C 62.0928 0.40 1 421 128 38 SER CB C 63.5490 0.40 1 422 128 38 SER N N 117.0517 0.05 1 423 129 39 GLU H H 8.3681 0.01 1 424 129 39 GLU HA H 4.3630 0.03 1 425 129 39 GLU HB2 H 2.1570 0.03 2 426 129 39 GLU HB3 H 2.0000 0.03 2 427 129 39 GLU HG2 H 2.3070 0.03 2 428 129 39 GLU C C 177.3488 0.09 1 429 129 39 GLU CA C 57.6215 0.40 1 430 129 39 GLU CB C 29.6635 0.40 1 431 129 39 GLU CG C 36.7490 0.32 1 432 129 39 GLU N N 117.7789 0.05 1 433 130 40 CYS H H 8.1561 0.01 1 434 130 40 CYS HA H 4.6300 0.03 1 435 130 40 CYS HB2 H 3.0130 0.03 2 436 130 40 CYS HB3 H 2.9150 0.03 2 437 130 40 CYS C C 172.7161 0.09 1 438 130 40 CYS CA C 58.6956 0.40 1 439 130 40 CYS CB C 29.5234 0.40 1 440 130 40 CYS N N 114.6029 0.05 1 441 131 41 LEU H H 7.3610 0.01 1 442 131 41 LEU HA H 4.7430 0.03 1 443 131 41 LEU HB2 H 1.5590 0.03 2 444 131 41 LEU HB3 H 1.4360 0.03 2 445 131 41 LEU HG H 1.5360 0.03 1 446 131 41 LEU HD1 H 0.6100 0.03 2 447 131 41 LEU HD2 H 0.6000 0.03 2 448 131 41 LEU C C 175.9776 0.09 1 449 131 41 LEU CA C 53.6047 0.40 1 450 131 41 LEU CB C 44.8145 0.40 1 451 131 41 LEU CG C 26.5900 0.32 1 452 131 41 LEU CD1 C 26.5900 0.32 2 453 131 41 LEU CD2 C 22.9580 0.32 2 454 131 41 LEU N N 121.6106 0.05 1 455 132 42 ILE H H 8.3650 0.01 1 456 132 42 ILE HA H 4.5420 0.03 1 457 132 42 ILE HB H 2.0280 0.03 1 458 132 42 ILE HG12 H 1.3310 0.03 2 459 132 42 ILE HG2 H 1.0190 0.03 1 460 132 42 ILE HD1 H 0.9070 0.03 1 461 132 42 ILE C C 178.1346 0.09 1 462 132 42 ILE CA C 60.4789 0.40 1 463 132 42 ILE CB C 39.7903 0.40 1 464 132 42 ILE CG1 C 26.8000 0.32 1 465 132 42 ILE CG2 C 17.7000 0.32 1 466 132 42 ILE CD1 C 13.4500 0.32 1 467 132 42 ILE N N 116.4906 0.05 1 468 133 43 ASN H H 9.0298 0.01 1 469 133 43 ASN HA H 4.2860 0.03 1 470 133 43 ASN HB2 H 2.8680 0.03 2 471 133 43 ASN HB3 H 2.7760 0.03 2 472 133 43 ASN C C 177.1932 0.09 1 473 133 43 ASN CA C 57.5093 0.40 1 474 133 43 ASN CB C 37.9957 0.40 1 475 133 43 ASN N N 123.6239 0.05 1 476 134 44 GLN H H 8.8116 0.01 1 477 134 44 GLN HA H 4.1690 0.03 1 478 134 44 GLN HB2 H 2.0580 0.03 2 479 134 44 GLN HG2 H 2.4010 0.03 2 480 134 44 GLN C C 178.1566 0.09 1 481 134 44 GLN CA C 58.7537 0.40 1 482 134 44 GLN CB C 28.4339 0.40 1 483 134 44 GLN CG C 34.0650 0.32 1 484 134 44 GLN N N 118.4524 0.05 1 485 135 45 GLU H H 7.3094 0.01 1 486 135 45 GLU HA H 4.0740 0.03 1 487 135 45 GLU HB2 H 2.3700 0.03 2 488 135 45 GLU HB3 H 2.0800 0.03 2 489 135 45 GLU HG2 H 2.2930 0.03 2 490 135 45 GLU HG3 H 2.2500 0.03 2 491 135 45 GLU C C 178.6088 0.09 1 492 135 45 GLU CA C 59.2705 0.40 1 493 135 45 GLU CB C 29.7140 0.40 1 494 135 45 GLU CG C 38.1450 0.32 1 495 135 45 GLU N N 118.5224 0.05 1 496 136 46 CYS H H 7.8564 0.01 1 497 136 46 CYS HA H 3.8240 0.03 1 498 136 46 CYS HB2 H 3.1430 0.03 2 499 136 46 CYS HB3 H 2.7100 0.03 2 500 136 46 CYS C C 176.2270 0.09 1 501 136 46 CYS CA C 64.0159 0.40 1 502 136 46 CYS CB C 26.3471 0.40 1 503 136 46 CYS N N 117.4224 0.05 1 504 137 47 GLU H H 8.0611 0.01 1 505 137 47 GLU HA H 3.8750 0.03 1 506 137 47 GLU HB2 H 2.0070 0.03 2 507 137 47 GLU HB3 H 2.2080 0.03 2 508 137 47 GLU HG2 H 2.2660 0.03 2 509 137 47 GLU C C 179.2311 0.09 1 510 137 47 GLU CA C 59.5834 0.40 1 511 137 47 GLU CB C 29.2115 0.40 1 512 137 47 GLU CG C 36.3850 0.32 1 513 137 47 GLU N N 117.5898 0.05 1 514 138 48 GLU H H 7.9900 0.01 1 515 138 48 GLU HA H 4.0160 0.03 1 516 138 48 GLU HB2 H 2.1370 0.03 2 517 138 48 GLU HB3 H 2.0180 0.03 2 518 138 48 GLU HG2 H 2.3900 0.03 2 519 138 48 GLU HG3 H 2.1240 0.03 2 520 138 48 GLU C C 179.0346 0.09 1 521 138 48 GLU CA C 59.6504 0.40 1 522 138 48 GLU CB C 29.6805 0.40 1 523 138 48 GLU CG C 36.2860 0.32 1 524 138 48 GLU N N 121.0610 0.05 1 525 139 49 ILE H H 8.3685 0.01 1 526 139 49 ILE HA H 3.3840 0.03 1 527 139 49 ILE HB H 1.8620 0.03 1 528 139 49 ILE HG12 H 1.0630 0.03 2 529 139 49 ILE HG2 H 0.6860 0.03 1 530 139 49 ILE HD1 H 0.7720 0.03 1 531 139 49 ILE C C 178.4918 0.09 1 532 139 49 ILE CA C 66.3532 0.40 1 533 139 49 ILE CB C 38.5031 0.40 1 534 139 49 ILE CG2 C 17.6300 0.32 1 535 139 49 ILE CD1 C 13.8500 0.32 1 536 139 49 ILE N N 119.3904 0.05 1 537 140 50 LEU H H 8.1072 0.01 1 538 140 50 LEU HA H 3.8840 0.03 1 539 140 50 LEU HB2 H 1.8790 0.03 2 540 140 50 LEU HB3 H 1.4750 0.03 2 541 140 50 LEU HG H 1.7990 0.03 1 542 140 50 LEU HD1 H 0.8130 0.03 2 543 140 50 LEU C C 179.8268 0.09 1 544 140 50 LEU CA C 58.8033 0.40 1 545 140 50 LEU CB C 41.1085 0.40 1 546 140 50 LEU CD1 C 24.8590 0.32 2 547 140 50 LEU CD2 C 24.8590 0.32 2 548 140 50 LEU N N 120.3747 0.05 1 549 141 51 GLN H H 8.2470 0.01 1 550 141 51 GLN HA H 4.0860 0.03 1 551 141 51 GLN HB2 H 2.2030 0.03 2 552 141 51 GLN HG2 H 2.4070 0.03 2 553 141 51 GLN HG3 H 2.3400 0.03 2 554 141 51 GLN C C 179.7914 0.09 1 555 141 51 GLN CA C 59.1934 0.40 1 556 141 51 GLN CB C 27.8225 0.40 1 557 141 51 GLN CG C 33.6360 0.32 1 558 141 51 GLN N N 121.4111 0.05 1 559 142 52 ILE H H 8.5269 0.01 1 560 142 52 ILE HA H 3.6540 0.03 1 561 142 52 ILE HB H 1.9000 0.03 1 562 142 52 ILE HG12 H 1.2300 0.03 2 563 142 52 ILE HG13 H 1.0680 0.03 2 564 142 52 ILE HG2 H 0.7950 0.03 1 565 142 52 ILE HD1 H 0.7860 0.03 1 566 142 52 ILE C C 178.8450 0.09 1 567 142 52 ILE CA C 65.3674 0.40 1 568 142 52 ILE CB C 38.1608 0.40 1 569 142 52 ILE CG2 C 17.9350 0.32 1 570 142 52 ILE N N 122.8806 0.05 1 571 143 53 CYS H H 8.5410 0.01 1 572 143 53 CYS HA H 4.1400 0.03 1 573 143 53 CYS HB2 H 3.2420 0.03 2 574 143 53 CYS HB3 H 2.8580 0.03 2 575 143 53 CYS C C 176.9970 0.09 1 576 143 53 CYS CA C 63.8894 0.40 1 577 143 53 CYS CB C 27.1019 0.40 1 578 143 53 CYS N N 118.6130 0.05 1 579 144 54 SER H H 7.6427 0.01 1 580 144 54 SER HA H 4.2430 0.03 1 581 144 54 SER HB2 H 3.9880 0.03 2 582 144 54 SER C C 175.1261 0.09 1 583 144 54 SER CA C 60.7797 0.40 1 584 144 54 SER CB C 63.7283 0.40 1 585 144 54 SER N N 111.6038 0.05 1 586 145 55 THR H H 7.8820 0.01 1 587 145 55 THR HA H 4.3890 0.03 1 588 145 55 THR HB H 4.1390 0.03 1 589 145 55 THR HG2 H 1.2570 0.03 1 590 145 55 THR C C 175.8521 0.09 1 591 145 55 THR CA C 63.2861 0.40 1 592 145 55 THR CB C 70.5418 0.40 1 593 145 55 THR CG2 C 22.0390 0.32 1 594 145 55 THR N N 110.8847 0.05 1 595 146 56 LYS H H 8.8973 0.01 1 596 146 56 LYS HA H 4.5560 0.03 1 597 146 56 LYS HB2 H 1.8600 0.03 2 598 146 56 LYS HB3 H 1.7480 0.03 2 599 146 56 LYS HG2 H 1.4270 0.03 2 600 146 56 LYS HG3 H 1.2300 0.03 2 601 146 56 LYS HD2 H 1.5740 0.03 2 602 146 56 LYS HD3 H 1.5220 0.03 2 603 146 56 LYS HE2 H 2.9650 0.03 2 604 146 56 LYS C C 177.4049 0.09 1 605 146 56 LYS CA C 55.9055 0.40 1 606 146 56 LYS CB C 34.5480 0.40 1 607 146 56 LYS CG C 25.1900 0.32 1 608 146 56 LYS CD C 28.7270 0.32 1 609 146 56 LYS CE C 42.2850 0.32 1 610 146 56 LYS N N 121.4241 0.05 1 611 147 57 GLY H H 7.5363 0.01 1 612 147 57 GLY HA2 H 4.7070 0.03 2 613 147 57 GLY HA3 H 4.0170 0.03 2 614 147 57 GLY C C 174.3558 0.09 1 615 147 57 GLY CA C 44.6363 0.40 1 616 147 57 GLY N N 109.0966 0.05 1 617 148 58 MET H H 8.5960 0.01 1 618 148 58 MET HA H 4.3100 0.03 1 619 148 58 MET HB2 H 2.2730 0.03 2 620 148 58 MET HB3 H 2.0250 0.03 2 621 148 58 MET HG2 H 2.8870 0.03 2 622 148 58 MET HG3 H 2.8500 0.03 2 623 148 58 MET HE H 2.0790 0.03 1 624 148 58 MET C C 178.3138 0.09 1 625 148 58 MET CA C 58.2296 0.40 1 626 148 58 MET CB C 32.3804 0.40 1 627 148 58 MET CG C 33.5130 0.32 1 628 148 58 MET CE C 18.4500 0.32 1 629 148 58 MET N N 116.6569 0.05 1 630 149 59 MET H H 8.3398 0.01 1 631 149 59 MET HA H 4.3240 0.03 1 632 149 59 MET HB2 H 2.1200 0.03 2 633 149 59 MET HB3 H 1.9010 0.03 2 634 149 59 MET HG2 H 2.6500 0.03 2 635 149 59 MET HG3 H 2.5910 0.03 2 636 149 59 MET HE H 2.0750 0.03 1 637 149 59 MET C C 178.4092 0.09 1 638 149 59 MET CA C 59.7372 0.40 1 639 149 59 MET CB C 32.3395 0.40 1 640 149 59 MET CG C 31.9980 0.32 1 641 149 59 MET CE C 16.9700 0.32 1 642 149 59 MET N N 118.7416 0.05 1 643 150 60 ALA H H 8.0276 0.01 1 644 150 60 ALA HA H 4.1810 0.03 1 645 150 60 ALA HB H 1.2550 0.03 1 646 150 60 ALA C C 182.1162 0.09 1 647 150 60 ALA CA C 54.6088 0.40 1 648 150 60 ALA CB C 18.3355 0.40 1 649 150 60 ALA N N 122.0822 0.05 1 650 151 61 GLY H H 8.3156 0.01 1 651 151 61 GLY HA2 H 4.3530 0.03 2 652 151 61 GLY HA3 H 3.5600 0.03 2 653 151 61 GLY C C 174.9626 0.09 1 654 151 61 GLY CA C 47.9276 0.40 1 655 151 61 GLY N N 108.3960 0.05 1 656 152 62 ALA H H 8.9842 0.01 1 657 152 62 ALA HA H 3.8940 0.03 1 658 152 62 ALA HB H 1.6090 0.03 1 659 152 62 ALA C C 179.2194 0.09 1 660 152 62 ALA CA C 55.6266 0.40 1 661 152 62 ALA CB C 18.3205 0.40 1 662 152 62 ALA N N 126.5257 0.05 1 663 153 63 GLU H H 8.3009 0.01 1 664 153 63 GLU HA H 3.7900 0.03 1 665 153 63 GLU HB2 H 2.1240 0.03 2 666 153 63 GLU HG2 H 2.4170 0.03 2 667 153 63 GLU HG3 H 2.0900 0.03 2 668 153 63 GLU C C 178.8283 0.09 1 669 153 63 GLU CA C 60.1945 0.40 1 670 153 63 GLU CB C 29.7997 0.40 1 671 153 63 GLU CG C 37.4260 0.32 1 672 153 63 GLU N N 118.1840 0.05 1 673 154 64 LYS H H 7.5991 0.01 1 674 154 64 LYS HA H 4.2150 0.03 1 675 154 64 LYS HB2 H 2.0750 0.03 2 676 154 64 LYS HB3 H 1.8500 0.03 2 677 154 64 LYS HG2 H 1.2260 0.03 2 678 154 64 LYS HD2 H 1.7500 0.03 2 679 154 64 LYS HD3 H 1.5630 0.03 2 680 154 64 LYS HE2 H 2.7400 0.03 2 681 154 64 LYS HE3 H 2.5300 0.03 2 682 154 64 LYS C C 177.8157 0.09 1 683 154 64 LYS CA C 56.7498 0.40 1 684 154 64 LYS CB C 30.2565 0.40 1 685 154 64 LYS CG C 24.9880 0.32 1 686 154 64 LYS CD C 27.8930 0.32 1 687 154 64 LYS CE C 41.9400 0.32 1 688 154 64 LYS N N 120.2047 0.05 1 689 155 65 LEU H H 8.2912 0.01 1 690 155 65 LEU HA H 3.9060 0.03 1 691 155 65 LEU HB2 H 1.3300 0.03 2 692 155 65 LEU HB3 H 1.8020 0.03 2 693 155 65 LEU HG H 1.4900 0.03 1 694 155 65 LEU HD1 H 0.7820 0.03 2 695 155 65 LEU C C 177.4104 0.09 1 696 155 65 LEU CA C 58.5109 0.40 1 697 155 65 LEU CB C 41.2711 0.40 1 698 155 65 LEU CG C 26.9840 0.32 1 699 155 65 LEU CD1 C 26.2720 0.32 2 700 155 65 LEU CD2 C 23.7310 0.32 2 701 155 65 LEU N N 121.6215 0.05 1 702 156 66 VAL H H 7.9141 0.01 1 703 156 66 VAL HA H 2.8550 0.03 1 704 156 66 VAL HB H 2.0080 0.03 1 705 156 66 VAL HG1 H 0.5770 0.03 2 706 156 66 VAL HG2 H 0.2500 0.03 2 707 156 66 VAL C C 176.4866 0.09 1 708 156 66 VAL CA C 67.4817 0.40 1 709 156 66 VAL CB C 30.7990 0.40 1 710 156 66 VAL CG1 C 20.8000 0.32 2 711 156 66 VAL CG2 C 24.0000 0.32 2 712 156 66 VAL N N 118.7423 0.05 1 713 157 67 GLU H H 7.4070 0.01 1 714 157 67 GLU HA H 3.6930 0.03 1 715 157 67 GLU HB2 H 2.1950 0.03 2 716 157 67 GLU HG2 H 2.3730 0.03 2 717 157 67 GLU HG3 H 2.0840 0.03 2 718 157 67 GLU C C 179.3996 0.09 1 719 157 67 GLU CA C 59.8653 0.40 1 720 157 67 GLU CB C 29.5398 0.40 1 721 157 67 GLU CG C 36.0040 0.32 1 722 157 67 GLU N N 118.4567 0.05 1 723 158 68 CYS H H 7.9972 0.01 1 724 158 68 CYS HA H 3.8880 0.03 1 725 158 68 CYS HB2 H 2.7740 0.03 2 726 158 68 CYS HB3 H 2.6800 0.03 2 727 158 68 CYS C C 177.7356 0.09 1 728 158 68 CYS CA C 63.2832 0.40 1 729 158 68 CYS CB C 27.2352 0.40 1 730 158 68 CYS N N 115.8867 0.05 1 731 159 69 LEU H H 8.0233 0.01 1 732 159 69 LEU HA H 3.1910 0.03 1 733 159 69 LEU HB2 H 1.0650 0.03 2 734 159 69 LEU HB3 H -0.5400 0.03 2 735 159 69 LEU HG H 1.3690 0.03 1 736 159 69 LEU HD1 H 0.3440 0.03 2 737 159 69 LEU HD2 H 0.3440 0.03 2 738 159 69 LEU C C 178.4733 0.09 1 739 159 69 LEU CA C 57.3740 0.40 1 740 159 69 LEU CB C 39.7320 0.40 1 741 159 69 LEU CG C 25.5180 0.32 1 742 159 69 LEU CD1 C 25.5180 0.32 2 743 159 69 LEU CD2 C 25.5180 0.32 2 744 159 69 LEU N N 121.3915 0.05 1 745 160 70 LEU H H 8.2198 0.01 1 746 160 70 LEU HA H 3.7880 0.03 1 747 160 70 LEU HB2 H 1.8180 0.03 2 748 160 70 LEU HB3 H 1.3650 0.03 2 749 160 70 LEU HG H 1.7960 0.03 1 750 160 70 LEU HD1 H 0.9780 0.03 2 751 160 70 LEU HD2 H 0.7360 0.03 2 752 160 70 LEU C C 178.2016 0.09 1 753 160 70 LEU CA C 57.7581 0.40 1 754 160 70 LEU CB C 41.5745 0.40 1 755 160 70 LEU CG C 26.2370 0.32 1 756 160 70 LEU CD1 C 24.6140 0.32 2 757 160 70 LEU CD2 C 26.2370 0.32 2 758 160 70 LEU N N 116.9166 0.05 1 759 161 71 ARG H H 6.9528 0.01 1 760 161 71 ARG HA H 4.3730 0.03 1 761 161 71 ARG HB2 H 1.8280 0.03 2 762 161 71 ARG HB3 H 1.7620 0.03 2 763 161 71 ARG HG2 H 1.7220 0.03 2 764 161 71 ARG HG3 H 1.6870 0.03 2 765 161 71 ARG HD2 H 3.1400 0.03 2 766 161 71 ARG C C 176.2882 0.09 1 767 161 71 ARG CA C 55.6222 0.40 1 768 161 71 ARG CB C 31.1741 0.40 1 769 161 71 ARG CG C 27.3180 0.32 1 770 161 71 ARG CD C 43.5750 0.32 1 771 161 71 ARG N N 113.5972 0.05 1 772 162 72 SER H H 6.9876 0.01 1 773 162 72 SER HA H 4.2160 0.03 1 774 162 72 SER HB2 H 3.8460 0.03 2 775 162 72 SER HB3 H 3.6940 0.03 2 776 162 72 SER C C 176.2339 0.09 1 777 162 72 SER CA C 59.2428 0.40 1 778 162 72 SER CB C 63.7152 0.40 1 779 162 72 SER N N 114.5946 0.05 1 780 163 73 ASP H H 8.7868 0.01 1 781 163 73 ASP HA H 4.8360 0.03 1 782 163 73 ASP HB2 H 2.8800 0.03 2 783 163 73 ASP HB3 H 2.7430 0.03 2 784 163 73 ASP C C 176.0718 0.09 1 785 163 73 ASP CA C 53.1785 0.40 1 786 163 73 ASP CB C 41.1248 0.40 1 787 163 73 ASP N N 127.3798 0.05 1 788 164 74 LYS H H 8.4190 0.01 1 789 164 74 LYS HA H 4.4470 0.03 1 790 164 74 LYS HB2 H 2.1240 0.03 2 791 164 74 LYS HG2 H 1.6500 0.03 2 792 164 74 LYS HG3 H 1.5810 0.03 2 793 164 74 LYS HD2 H 1.7620 0.03 2 794 164 74 LYS C C 176.8074 0.09 1 795 164 74 LYS CA C 55.6381 0.40 1 796 164 74 LYS CB C 31.2760 0.40 1 797 164 74 LYS CG C 24.7470 0.32 1 798 164 74 LYS CD C 28.6790 0.32 1 799 164 74 LYS N N 121.5898 0.05 1 800 165 75 GLU H H 8.7969 0.01 1 801 165 75 GLU HA H 3.9790 0.03 1 802 165 75 GLU HB2 H 2.0930 0.03 2 803 165 75 GLU HB3 H 2.0930 0.03 2 804 165 75 GLU HG2 H 2.3370 0.03 2 805 165 75 GLU C C 175.2504 0.09 1 806 165 75 GLU CA C 58.8619 0.40 1 807 165 75 GLU CB C 29.6738 0.40 1 808 165 75 GLU CG C 36.3600 0.32 1 809 165 75 GLU N N 124.0792 0.05 1 810 166 76 ASN H H 8.2628 0.01 1 811 166 76 ASN HA H 4.8520 0.03 1 812 166 76 ASN HB2 H 2.9460 0.03 2 813 166 76 ASN HB3 H 2.8070 0.03 2 814 166 76 ASN C C 177.3701 0.09 1 815 166 76 ASN CA C 52.3518 0.40 1 816 166 76 ASN CB C 38.4760 0.40 1 817 166 76 ASN N N 111.9481 0.05 1 818 167 77 TRP H H 8.2042 0.01 1 819 167 77 TRP HA H 4.5860 0.03 1 820 167 77 TRP HB2 H 3.2790 0.03 2 821 167 77 TRP HB3 H 3.6310 0.03 2 822 167 77 TRP HD1 H 7.9747 0.03 1 823 167 77 TRP HE1 H 10.4592 0.03 1 824 167 77 TRP HE3 H 7.2800 0.03 1 825 167 77 TRP HZ2 H 7.2102 0.03 1 826 167 77 TRP HH2 H 7.0110 0.03 1 827 167 77 TRP CA C 62.4874 0.40 1 828 167 77 TRP CB C 28.9488 0.40 1 829 167 77 TRP CD1 C 130.3896 0.32 1 830 167 77 TRP CZ2 C 113.5937 0.32 1 831 167 77 TRP N N 123.6468 0.05 1 832 167 77 TRP NE1 N 133.2935 0.05 1 833 168 78 PRO HA H 4.0470 0.03 1 834 168 78 PRO HB2 H 0.9500 0.03 2 835 168 78 PRO HB3 H 0.8800 0.03 2 836 168 78 PRO HG2 H -0.5800 0.03 2 837 168 78 PRO HD2 H 2.9100 0.03 2 838 168 78 PRO HD3 H 2.2300 0.03 2 839 168 78 PRO C C 179.7264 0.09 1 840 168 78 PRO CA C 66.9186 0.40 1 841 168 78 PRO CB C 30.5839 0.40 1 842 168 78 PRO CD C 49.6300 0.32 1 843 169 79 LYS H H 7.5318 0.01 1 844 169 79 LYS HA H 4.0170 0.03 1 845 169 79 LYS HB2 H 1.8450 0.03 2 846 169 79 LYS HG2 H 1.3940 0.03 2 847 169 79 LYS HD2 H 1.6570 0.03 2 848 169 79 LYS HE2 H 2.9160 0.03 2 849 169 79 LYS C C 177.8808 0.09 1 850 169 79 LYS CA C 58.9240 0.40 1 851 169 79 LYS CB C 32.3199 0.40 1 852 169 79 LYS CG C 25.2080 0.32 1 853 169 79 LYS CD C 29.0890 0.32 1 854 169 79 LYS CE C 42.2860 0.32 1 855 169 79 LYS N N 118.3387 0.05 1 856 170 80 THR H H 8.4617 0.01 1 857 170 80 THR HA H 3.8770 0.03 1 858 170 80 THR HB H 4.1900 0.03 1 859 170 80 THR HG2 H 1.3140 0.03 1 860 170 80 THR C C 177.0279 0.09 1 861 170 80 THR CA C 67.2410 0.40 1 862 170 80 THR CB C 68.1550 0.40 1 863 170 80 THR CG2 C 22.5450 0.32 1 864 170 80 THR N N 119.4323 0.05 1 865 171 81 LEU H H 9.0804 0.01 1 866 171 81 LEU HA H 4.0800 0.03 1 867 171 81 LEU HB2 H 2.1960 0.03 2 868 171 81 LEU HB3 H 1.4940 0.03 2 869 171 81 LEU HG H 1.1840 0.03 1 870 171 81 LEU HD1 H 0.1830 0.03 2 871 171 81 LEU HD2 H 0.7620 0.03 2 872 171 81 LEU C C 177.2524 0.09 1 873 171 81 LEU CA C 58.3643 0.40 1 874 171 81 LEU CB C 41.6287 0.40 1 875 171 81 LEU CG C 27.3120 0.32 1 876 171 81 LEU CD1 C 24.6550 0.32 2 877 171 81 LEU CD2 C 23.2390 0.32 2 878 171 81 LEU N N 121.5698 0.05 1 879 172 82 LYS H H 7.7775 0.01 1 880 172 82 LYS HA H 4.1780 0.03 1 881 172 82 LYS HB2 H 2.5270 0.03 2 882 172 82 LYS HB3 H 2.0740 0.03 2 883 172 82 LYS HG2 H 1.5190 0.03 2 884 172 82 LYS HG3 H 1.6100 0.03 2 885 172 82 LYS HD2 H 1.5780 0.03 2 886 172 82 LYS C C 177.3907 0.09 1 887 172 82 LYS CA C 59.2823 0.40 1 888 172 82 LYS CB C 32.9051 0.40 1 889 172 82 LYS CG C 23.9820 0.32 1 890 172 82 LYS CD C 29.0890 0.32 1 891 172 82 LYS N N 118.4495 0.05 1 892 173 83 LEU H H 8.3609 0.01 1 893 173 83 LEU HA H 4.0760 0.03 1 894 173 83 LEU HB2 H 1.9160 0.03 2 895 173 83 LEU HB3 H 1.6160 0.03 2 896 173 83 LEU HG H 1.8040 0.03 1 897 173 83 LEU HD1 H 0.9280 0.03 2 898 173 83 LEU C C 179.9340 0.09 1 899 173 83 LEU CA C 58.3004 0.40 1 900 173 83 LEU CB C 41.5540 0.40 1 901 173 83 LEU CG C 27.1080 0.32 1 902 173 83 LEU CD1 C 24.9610 0.32 2 903 173 83 LEU CD2 C 23.4170 0.32 2 904 173 83 LEU N N 117.6530 0.05 1 905 174 84 ALA H H 8.0794 0.01 1 906 174 84 ALA HA H 4.1450 0.03 1 907 174 84 ALA HB H 1.5390 0.03 1 908 174 84 ALA C C 179.7076 0.09 1 909 174 84 ALA CA C 55.2162 0.40 1 910 174 84 ALA CB C 18.9996 0.40 1 911 174 84 ALA N N 122.6734 0.05 1 912 175 85 LEU H H 8.3683 0.01 1 913 175 85 LEU HA H 3.9630 0.03 1 914 175 85 LEU HB2 H 2.3260 0.03 2 915 175 85 LEU HB3 H 1.4500 0.03 2 916 175 85 LEU HG H 2.1490 0.03 1 917 175 85 LEU HD1 H 0.8890 0.03 2 918 175 85 LEU HD2 H 0.7000 0.03 2 919 175 85 LEU C C 179.5631 0.09 1 920 175 85 LEU CA C 57.5250 0.40 1 921 175 85 LEU CB C 42.0650 0.40 1 922 175 85 LEU CG C 26.4920 0.32 1 923 175 85 LEU CD1 C 28.2690 0.32 2 924 175 85 LEU CD2 C 22.6640 0.32 2 925 175 85 LEU N N 116.5311 0.05 1 926 176 86 GLU H H 8.4634 0.01 1 927 176 86 GLU HA H 4.1170 0.03 1 928 176 86 GLU HB2 H 2.1990 0.03 2 929 176 86 GLU HB3 H 2.3120 0.03 2 930 176 86 GLU HG2 H 2.5190 0.03 2 931 176 86 GLU HG3 H 2.1120 0.03 2 932 176 86 GLU C C 180.3621 0.09 1 933 176 86 GLU CA C 58.9463 0.40 1 934 176 86 GLU CB C 30.2353 0.40 1 935 176 86 GLU CG C 37.2030 0.32 1 936 176 86 GLU N N 118.3701 0.05 1 937 177 87 LYS H H 8.2264 0.01 1 938 177 87 LYS HA H 4.0490 0.03 1 939 177 87 LYS HB2 H 2.0090 0.03 2 940 177 87 LYS HG2 H 1.4460 0.03 2 941 177 87 LYS HD2 H 1.5920 0.03 2 942 177 87 LYS HE2 H 2.9500 0.03 2 943 177 87 LYS HE3 H 3.1230 0.03 2 944 177 87 LYS C C 178.1406 0.09 1 945 177 87 LYS CA C 59.6978 0.40 1 946 177 87 LYS CB C 32.4831 0.40 1 947 177 87 LYS CG C 24.6390 0.32 1 948 177 87 LYS CD C 29.6360 0.32 1 949 177 87 LYS CE C 42.3700 0.32 1 950 177 87 LYS N N 122.2140 0.05 1 951 178 88 GLU H H 7.4260 0.01 1 952 178 88 GLU HA H 4.3840 0.03 1 953 178 88 GLU HB2 H 2.2940 0.03 2 954 178 88 GLU HB3 H 1.8570 0.03 2 955 178 88 GLU HG2 H 2.4950 0.03 2 956 178 88 GLU HG3 H 2.3930 0.03 2 957 178 88 GLU C C 175.4044 0.09 1 958 178 88 GLU CA C 55.1014 0.40 1 959 178 88 GLU CB C 29.3324 0.40 1 960 178 88 GLU CG C 35.2880 0.32 1 961 178 88 GLU N N 114.2551 0.05 1 962 179 89 ARG H H 7.8961 0.01 1 963 179 89 ARG HA H 3.9050 0.03 1 964 179 89 ARG HB2 H 2.0240 0.03 2 965 179 89 ARG HB3 H 1.9120 0.03 2 966 179 89 ARG HG2 H 1.6090 0.03 2 967 179 89 ARG HD2 H 3.2370 0.03 2 968 179 89 ARG C C 175.6576 0.09 1 969 179 89 ARG CA C 56.7683 0.40 1 970 179 89 ARG CB C 26.8279 0.40 1 971 179 89 ARG CG C 27.1700 0.32 1 972 179 89 ARG CD C 43.5000 0.32 1 973 179 89 ARG N N 118.2635 0.05 1 974 180 90 ASN H H 8.2877 0.01 1 975 180 90 ASN HA H 4.6630 0.03 1 976 180 90 ASN HB2 H 2.7620 0.03 2 977 180 90 ASN C C 178.1684 0.09 1 978 180 90 ASN CA C 53.9786 0.40 1 979 180 90 ASN CB C 41.5006 0.40 1 980 180 90 ASN N N 117.6333 0.05 1 981 181 91 LYS H H 9.2780 0.01 1 982 181 91 LYS HA H 4.1610 0.03 1 983 181 91 LYS HB2 H 1.8560 0.03 2 984 181 91 LYS HG2 H 1.5750 0.03 2 985 181 91 LYS HD2 H 1.7100 0.03 2 986 181 91 LYS HE2 H 3.0130 0.03 2 987 181 91 LYS C C 178.3313 0.09 1 988 181 91 LYS CA C 58.6858 0.40 1 989 181 91 LYS CB C 32.3632 0.40 1 990 181 91 LYS CG C 25.3390 0.32 1 991 181 91 LYS CD C 28.6790 0.32 1 992 181 91 LYS CE C 42.1650 0.32 1 993 181 91 LYS N N 129.4110 0.05 1 994 182 92 PHE H H 9.7527 0.01 1 995 182 92 PHE HA H 4.1010 0.03 1 996 182 92 PHE HB2 H 2.8580 0.03 2 997 182 92 PHE HB3 H 2.7170 0.03 2 998 182 92 PHE HD1 H 7.0191 0.03 3 999 182 92 PHE HE1 H 7.2620 0.03 3 1000 182 92 PHE C C 176.5627 0.09 1 1001 182 92 PHE CA C 61.0499 0.40 1 1002 182 92 PHE CB C 39.6671 0.40 1 1003 182 92 PHE CD1 C 132.3857 0.32 3 1004 182 92 PHE CE1 C 130.6090 0.32 3 1005 182 92 PHE N N 121.7112 0.05 1 1006 183 93 SER H H 8.3564 0.01 1 1007 183 93 SER HA H 4.0000 0.03 1 1008 183 93 SER HB2 H 4.0000 0.03 2 1009 183 93 SER C C 176.5207 0.09 1 1010 183 93 SER CA C 61.8757 0.40 1 1011 183 93 SER CB C 63.6531 0.40 1 1012 183 93 SER N N 110.6228 0.05 1 1013 184 94 GLU H H 7.4080 0.01 1 1014 184 94 GLU HA H 3.9570 0.03 1 1015 184 94 GLU HB2 H 1.9900 0.03 2 1016 184 94 GLU HG2 H 2.3000 0.03 2 1017 184 94 GLU C C 177.2179 0.09 1 1018 184 94 GLU CA C 58.4471 0.40 1 1019 184 94 GLU CB C 29.6216 0.40 1 1020 184 94 GLU CG C 36.1180 0.32 1 1021 184 94 GLU N N 114.7274 0.05 1 1022 185 95 LEU H H 7.2088 0.01 1 1023 185 95 LEU HA H 4.2040 0.03 1 1024 185 95 LEU HB2 H 1.4500 0.03 2 1025 185 95 LEU HB3 H 1.1070 0.03 2 1026 185 95 LEU HG H 1.4610 0.03 1 1027 185 95 LEU HD1 H 0.8190 0.03 2 1028 185 95 LEU HD2 H 0.7730 0.03 2 1029 185 95 LEU C C 175.9499 0.09 1 1030 185 95 LEU CA C 54.2990 0.40 1 1031 185 95 LEU CB C 42.4223 0.40 1 1032 185 95 LEU CG C 27.2480 0.32 1 1033 185 95 LEU CD1 C 25.6540 0.32 2 1034 185 95 LEU CD2 C 22.3760 0.32 2 1035 185 95 LEU N N 115.2912 0.05 1 1036 186 96 TRP H H 7.2985 0.01 1 1037 186 96 TRP HA H 4.6820 0.03 1 1038 186 96 TRP HB2 H 3.2700 0.03 2 1039 186 96 TRP HB3 H 2.7260 0.03 2 1040 186 96 TRP HD1 H 6.8383 0.03 1 1041 186 96 TRP HE1 H 9.9236 0.03 1 1042 186 96 TRP HE3 H 7.3220 0.03 1 1043 186 96 TRP HZ2 H 7.0200 0.03 1 1044 186 96 TRP HZ3 H 7.2058 0.03 1 1045 186 96 TRP HH2 H 7.8330 0.03 1 1046 186 96 TRP C C 172.6184 0.09 1 1047 186 96 TRP CA C 54.5969 0.40 1 1048 186 96 TRP CB C 29.8756 0.40 1 1049 186 96 TRP CD1 C 125.2022 0.32 1 1050 186 96 TRP CZ2 C 114.7253 0.32 1 1051 186 96 TRP CZ3 C 123.7979 0.32 1 1052 186 96 TRP CH2 C 125.0500 0.32 1 1053 186 96 TRP N N 121.7788 0.05 1 1054 186 96 TRP NE1 N 125.9624 0.05 1 1055 187 97 ILE H H 6.6451 0.01 1 1056 187 97 ILE HA H 3.9810 0.03 1 1057 187 97 ILE HB H 1.6250 0.03 1 1058 187 97 ILE HG12 H 1.2300 0.03 2 1059 187 97 ILE HG13 H 1.0400 0.03 2 1060 187 97 ILE HG2 H 0.7120 0.03 1 1061 187 97 ILE HD1 H 0.6800 0.03 1 1062 187 97 ILE C C 174.7441 0.09 1 1063 187 97 ILE CA C 59.9608 0.40 1 1064 187 97 ILE CB C 37.5890 0.40 1 1065 187 97 ILE CG1 C 27.1000 0.32 1 1066 187 97 ILE CG2 C 17.4040 0.32 1 1067 187 97 ILE CD1 C 11.6680 0.32 1 1068 187 97 ILE N N 125.9926 0.05 1 1069 188 98 VAL H H 7.8608 0.01 1 1070 188 98 VAL HA H 4.2090 0.03 1 1071 188 98 VAL HB H 1.6730 0.03 1 1072 188 98 VAL HG1 H 0.3260 0.03 2 1073 188 98 VAL HG2 H 0.3090 0.03 2 1074 188 98 VAL C C 175.2602 0.09 1 1075 188 98 VAL CA C 60.2012 0.40 1 1076 188 98 VAL CB C 33.7034 0.40 1 1077 188 98 VAL CG1 C 20.8360 0.32 2 1078 188 98 VAL CG2 C 20.1420 0.32 2 1079 188 98 VAL N N 123.3690 0.05 1 1080 189 99 GLU H H 7.9349 0.01 1 1081 189 99 GLU HA H 4.2250 0.03 1 1082 189 99 GLU HB2 H 1.9920 0.03 2 1083 189 99 GLU HB3 H 1.8470 0.03 2 1084 189 99 GLU HG2 H 2.1810 0.03 2 1085 189 99 GLU C C 175.1367 0.09 1 1086 189 99 GLU CA C 56.5792 0.40 1 1087 189 99 GLU CB C 30.5884 0.40 1 1088 189 99 GLU CG C 36.1980 0.32 1 1089 189 99 GLU N N 124.5758 0.05 1 1090 190 100 LYS H H 7.9287 0.01 1 1091 190 100 LYS HA H 4.2620 0.03 1 1092 190 100 LYS HB2 H 1.6950 0.03 2 1093 190 100 LYS HB3 H 1.6520 0.03 2 1094 190 100 LYS HG2 H 1.3230 0.03 2 1095 190 100 LYS HE2 H 2.9460 0.03 2 1096 190 100 LYS CA C 58.1788 0.40 1 1097 190 100 LYS CB C 33.4984 0.40 1 1098 190 100 LYS CE C 41.9000 0.32 1 1099 190 100 LYS N N 127.1390 0.05 1 stop_ save_