data_16883 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; the N-terminal domain of human H-REV107 ; _BMRB_accession_number 16883 _BMRB_flat_file_name bmr16883.str _Entry_type original _Submission_date 2010-04-20 _Accession_date 2010-04-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The N-terminal domain represents the residues 1-125 in the sequence of H-REV107.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ren Xiaobai . . 2 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 658 "13C chemical shifts" 518 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-09-02 update author 'correct chemical shift' 2010-06-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of human H-REV107 N-terminal domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20526701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ren Xiaobai . . 2 Lin Jian . . 3 Jin Changwen . . 4 Xia Bin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 175 _Page_last 178 _Year 2010 _Details . loop_ _Keyword H-REV107 NMR 'N-terminal domain' 'tumor suppressor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name H-REV107N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label H-REV107N $H-REV107N stop_ _System_molecular_weight 13963 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H-REV107N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H-REV107N _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'phospholipase A1/2' 'tumor suppressor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MRAPIPEPKPGDLIEIFRPF YRHWAIYVGDGYVVHLAPPS EVAGAGAASVMSALTDKAIV KKELLYDVAGSDKYQVNNKH DDKYSPLPCSKIIQRAEELV GQEVLYKLTSENCEHFVNEL RYGVA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ALA 4 PRO 5 ILE 6 PRO 7 GLU 8 PRO 9 LYS 10 PRO 11 GLY 12 ASP 13 LEU 14 ILE 15 GLU 16 ILE 17 PHE 18 ARG 19 PRO 20 PHE 21 TYR 22 ARG 23 HIS 24 TRP 25 ALA 26 ILE 27 TYR 28 VAL 29 GLY 30 ASP 31 GLY 32 TYR 33 VAL 34 VAL 35 HIS 36 LEU 37 ALA 38 PRO 39 PRO 40 SER 41 GLU 42 VAL 43 ALA 44 GLY 45 ALA 46 GLY 47 ALA 48 ALA 49 SER 50 VAL 51 MET 52 SER 53 ALA 54 LEU 55 THR 56 ASP 57 LYS 58 ALA 59 ILE 60 VAL 61 LYS 62 LYS 63 GLU 64 LEU 65 LEU 66 TYR 67 ASP 68 VAL 69 ALA 70 GLY 71 SER 72 ASP 73 LYS 74 TYR 75 GLN 76 VAL 77 ASN 78 ASN 79 LYS 80 HIS 81 ASP 82 ASP 83 LYS 84 TYR 85 SER 86 PRO 87 LEU 88 PRO 89 CYS 90 SER 91 LYS 92 ILE 93 ILE 94 GLN 95 ARG 96 ALA 97 GLU 98 GLU 99 LEU 100 VAL 101 GLY 102 GLN 103 GLU 104 VAL 105 LEU 106 TYR 107 LYS 108 LEU 109 THR 110 SER 111 GLU 112 ASN 113 CYS 114 GLU 115 HIS 116 PHE 117 VAL 118 ASN 119 GLU 120 LEU 121 ARG 122 TYR 123 GLY 124 VAL 125 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KYT "Solution Struture Of The H-Rev107 N-Terminal Domain" 100.00 125 100.00 100.00 3.77e-86 PDB 4DOT "Crystal Structure Of Human Hrasls3" 100.00 140 100.00 100.00 4.79e-86 PDB 4FA0 "Crystal Structure Of Human Adpla To 2.65 A Resolution" 100.00 137 100.00 100.00 2.16e-86 DBJ BAB08108 "H-REV107 protein homolog [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 DBJ BAG35901 "unnamed protein product [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 DBJ BAH08749 "Ca-independent phospholipase A1/2 [Homo sapiens]" 100.00 162 99.20 100.00 2.01e-86 DBJ BAI46481 "phospholipase A2, group XVI [synthetic construct]" 100.00 162 100.00 100.00 9.16e-87 EMBL CAA63423 "orf [Homo sapiens]" 100.00 162 99.20 100.00 2.01e-86 EMBL CAH92805 "hypothetical protein [Pongo abelii]" 100.00 162 100.00 100.00 7.20e-87 GB AAH01387 "Phospholipase A2, group XVI [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 GB AAI03808 "Phospholipase A2, group XVI [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 GB AAI03809 "PLA2G16 protein, partial [Homo sapiens]" 86.40 193 97.22 97.22 3.02e-67 GB AAL26892 "HREV107-3 [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 GB ABM83494 "HRAS-like suppressor 3 [synthetic construct]" 100.00 162 100.00 100.00 9.16e-87 REF NP_001121675 "HRAS-like suppressor 3 [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 REF NP_001128980 "HRAS-like suppressor 3 [Pongo abelii]" 100.00 162 100.00 100.00 7.20e-87 REF NP_001244356 "group XVI phospholipase A2 [Macaca mulatta]" 100.00 162 97.60 98.40 1.55e-83 REF NP_009000 "HRAS-like suppressor 3 [Homo sapiens]" 100.00 162 100.00 100.00 9.16e-87 REF XP_002833696 "PREDICTED: HRAS-like suppressor 3 [Pongo abelii]" 60.80 154 100.00 100.00 2.42e-45 SP P53816 "RecName: Full=HRAS-like suppressor 3; Short=HRSL3; AltName: Full=Adipose-specific phospholipase A2; Short=AdPLA; AltName: Full=" 100.00 162 100.00 100.00 9.16e-87 SP Q5R611 "RecName: Full=HRAS-like suppressor 3; Short=HRSL3; AltName: Full=Group XVI phospholipase A1/A2; AltName: Full=H-rev 107 protein" 100.00 162 100.00 100.00 7.20e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H-REV107N 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 $H-REV107N 'recombinant technology' . Escherichia coli BL21(DE3) pET24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H-REV107N 1 mM '[U-13C; U-15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium azide' 0.05 w/v 'natural abundance' DSS 0.02 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . 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 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 60 . mM pH 7.0 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D (H)CCH-COSY' '3D HCCH-COSY' 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 H-REV107N _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 1.964 . 1 2 1 1 MET CE C 17.096 . 1 3 2 2 ARG H H 8.249 . 1 4 2 2 ARG HA H 4.302 . 1 5 2 2 ARG HB2 H 1.701 . 2 6 2 2 ARG HB3 H 1.754 . 2 7 2 2 ARG HD2 H 3.062 . 2 8 2 2 ARG HD3 H 3.123 . 2 9 2 2 ARG HG2 H 1.573 . 2 10 2 2 ARG CA C 56.240 . 1 11 2 2 ARG CB C 31.030 . 1 12 2 2 ARG CD C 43.634 . 1 13 2 2 ARG CG C 27.355 . 1 14 2 2 ARG N N 127.164 . 1 15 3 3 ALA H H 8.408 . 1 16 3 3 ALA HA H 4.540 . 1 17 3 3 ALA HB H 1.324 . 1 18 3 3 ALA CA C 50.825 . 1 19 3 3 ALA CB C 18.360 . 1 20 3 3 ALA N N 128.388 . 1 21 4 4 PRO HA H 4.396 . 1 22 4 4 PRO HB2 H 1.823 . 2 23 4 4 PRO HB3 H 2.203 . 2 24 4 4 PRO HD2 H 3.540 . 2 25 4 4 PRO HD3 H 3.814 . 2 26 4 4 PRO HG2 H 1.949 . 2 27 4 4 PRO HG3 H 1.897 . 2 28 4 4 PRO C C 176.626 . 1 29 4 4 PRO CA C 63.310 . 1 30 4 4 PRO CB C 32.129 . 1 31 4 4 PRO CD C 51.110 . 1 32 4 4 PRO CG C 27.894 . 1 33 5 5 ILE H H 7.971 . 1 34 5 5 ILE HA H 4.410 . 1 35 5 5 ILE HB H 1.797 . 1 36 5 5 ILE HD1 H 0.761 . 1 37 5 5 ILE HG12 H 1.028 . 1 38 5 5 ILE HG13 H 1.409 . 1 39 5 5 ILE HG2 H 0.876 . 1 40 5 5 ILE C C 174.738 . 1 41 5 5 ILE CA C 58.870 . 1 42 5 5 ILE CB C 39.016 . 1 43 5 5 ILE CD1 C 13.206 . 1 44 5 5 ILE CG1 C 27.179 . 2 45 5 5 ILE CG2 C 17.683 . 1 46 5 5 ILE N N 122.100 . 1 47 6 6 PRO HA H 4.311 . 1 48 6 6 PRO HB2 H 1.746 . 2 49 6 6 PRO HB3 H 2.241 . 2 50 6 6 PRO HD2 H 4.089 . 2 51 6 6 PRO HD3 H 3.690 . 2 52 6 6 PRO HG2 H 2.041 . 2 53 6 6 PRO HG3 H 1.954 . 2 54 6 6 PRO CA C 63.230 . 1 55 6 6 PRO CB C 32.320 . 1 56 6 6 PRO CD C 50.673 . 1 57 6 6 PRO CG C 27.700 . 1 58 7 7 GLU H H 8.380 . 1 59 7 7 GLU HA H 4.424 . 1 60 7 7 GLU HB2 H 1.889 . 2 61 7 7 GLU HG2 H 2.316 . 2 62 7 7 GLU HG3 H 2.498 . 2 63 7 7 GLU CA C 54.502 . 1 64 7 7 GLU CB C 30.320 . 1 65 7 7 GLU CG C 35.503 . 1 66 7 7 GLU N N 124.355 . 1 67 8 8 PRO HA H 4.245 . 1 68 8 8 PRO HB2 H 0.578 . 2 69 8 8 PRO HB3 H 1.809 . 2 70 8 8 PRO HD2 H 2.803 . 2 71 8 8 PRO HD3 H 2.854 . 2 72 8 8 PRO HG2 H 1.003 . 2 73 8 8 PRO HG3 H 1.310 . 2 74 8 8 PRO CA C 62.440 . 1 75 8 8 PRO CB C 31.600 . 1 76 8 8 PRO CD C 50.677 . 1 77 8 8 PRO CG C 27.412 . 1 78 9 9 LYS H H 9.059 . 1 79 9 9 LYS HA H 4.745 . 1 80 9 9 LYS HB2 H 1.762 . 2 81 9 9 LYS HD2 H 1.715 . 2 82 9 9 LYS HE2 H 3.057 . 2 83 9 9 LYS HG2 H 1.529 . 2 84 9 9 LYS CA C 53.050 . 1 85 9 9 LYS CB C 32.370 . 1 86 9 9 LYS CD C 29.144 . 1 87 9 9 LYS CE C 42.589 . 1 88 9 9 LYS CG C 24.842 . 1 89 9 9 LYS N N 121.550 . 1 90 10 10 PRO HA H 3.961 . 1 91 10 10 PRO HB2 H 1.996 . 2 92 10 10 PRO HB3 H 1.928 . 2 93 10 10 PRO HD2 H 3.915 . 2 94 10 10 PRO HD3 H 4.147 . 2 95 10 10 PRO HG2 H 2.093 . 2 96 10 10 PRO C C 176.978 . 1 97 10 10 PRO CA C 64.949 . 1 98 10 10 PRO CB C 32.005 . 1 99 10 10 PRO CD C 51.127 . 1 100 10 10 PRO CG C 28.689 . 1 101 11 11 GLY H H 9.571 . 1 102 11 11 GLY HA2 H 4.252 . 2 103 11 11 GLY HA3 H 3.302 . 2 104 11 11 GLY C C 172.948 . 1 105 11 11 GLY CA C 45.340 . 1 106 11 11 GLY N N 114.490 . 1 107 12 12 ASP H H 8.329 . 1 108 12 12 ASP HA H 4.925 . 1 109 12 12 ASP HB2 H 2.856 . 2 110 12 12 ASP HB3 H 2.577 . 2 111 12 12 ASP C C 176.379 . 1 112 12 12 ASP CA C 55.490 . 1 113 12 12 ASP CB C 42.870 . 1 114 12 12 ASP N N 121.570 . 1 115 13 13 LEU H H 9.391 . 1 116 13 13 LEU HA H 4.824 . 1 117 13 13 LEU HB2 H 1.563 . 2 118 13 13 LEU HB3 H 2.616 . 2 119 13 13 LEU HD1 H 2.211 . 2 120 13 13 LEU HD2 H 0.814 . 2 121 13 13 LEU HG H 1.209 . 1 122 13 13 LEU CA C 54.660 . 1 123 13 13 LEU CB C 41.566 . 1 124 13 13 LEU CD1 C 26.045 . 1 125 13 13 LEU CD2 C 23.323 . 1 126 13 13 LEU CG C 26.590 . 1 127 13 13 LEU N N 121.170 . 1 128 14 14 ILE H H 9.254 . 1 129 14 14 ILE HA H 4.541 . 1 130 14 14 ILE HB H 1.712 . 1 131 14 14 ILE HD1 H 0.591 . 1 132 14 14 ILE HG12 H 1.159 . 1 133 14 14 ILE HG13 H 1.490 . 1 134 14 14 ILE HG2 H 0.558 . 1 135 14 14 ILE C C 172.932 . 1 136 14 14 ILE CA C 58.330 . 1 137 14 14 ILE CB C 38.800 . 1 138 14 14 ILE CD1 C 11.828 . 1 139 14 14 ILE CG1 C 27.015 . 2 140 14 14 ILE CG2 C 17.984 . 1 141 14 14 ILE N N 123.480 . 1 142 15 15 GLU H H 8.671 . 1 143 15 15 GLU HA H 3.398 . 1 144 15 15 GLU HB2 H 1.491 . 2 145 15 15 GLU HB3 H 0.507 . 2 146 15 15 GLU HG2 H 0.908 . 2 147 15 15 GLU HG3 H 0.605 . 2 148 15 15 GLU C C 174.905 . 1 149 15 15 GLU CA C 54.703 . 1 150 15 15 GLU CB C 32.000 . 1 151 15 15 GLU CG C 35.929 . 1 152 15 15 GLU N N 130.480 . 1 153 16 16 ILE H H 8.599 . 1 154 16 16 ILE HA H 4.379 . 1 155 16 16 ILE HB H 1.533 . 1 156 16 16 ILE HD1 H 0.466 . 1 157 16 16 ILE HG12 H 1.350 . 1 158 16 16 ILE HG2 H 0.818 . 1 159 16 16 ILE C C 175.806 . 1 160 16 16 ILE CA C 61.020 . 1 161 16 16 ILE CB C 40.290 . 1 162 16 16 ILE CD1 C 15.005 . 1 163 16 16 ILE CG1 C 28.594 . 2 164 16 16 ILE CG2 C 18.449 . 1 165 16 16 ILE N N 125.500 . 1 166 17 17 PHE H H 9.073 . 1 167 17 17 PHE HA H 4.388 . 1 168 17 17 PHE HB2 H 2.871 . 2 169 17 17 PHE HB3 H 2.940 . 2 170 17 17 PHE HD1 H 6.980 . 3 171 17 17 PHE HE1 H 7.021 . 3 172 17 17 PHE C C 176.100 . 1 173 17 17 PHE CA C 57.050 . 1 174 17 17 PHE CB C 36.890 . 1 175 17 17 PHE CD1 C 131.358 . 3 176 17 17 PHE CE1 C 130.463 . 3 177 17 17 PHE N N 130.190 . 1 178 18 18 ARG H H 7.321 . 1 179 18 18 ARG HA H 4.374 . 1 180 18 18 ARG HB2 H 1.663 . 2 181 18 18 ARG HD2 H 2.840 . 2 182 18 18 ARG HD3 H 3.223 . 2 183 18 18 ARG HG2 H 1.367 . 2 184 18 18 ARG HG3 H 1.555 . 2 185 18 18 ARG C C 174.954 . 1 186 18 18 ARG CA C 55.800 . 1 187 18 18 ARG CB C 27.560 . 1 188 18 18 ARG CD C 44.364 . 1 189 18 18 ARG CG C 28.560 . 1 190 18 18 ARG N N 123.790 . 1 191 19 19 PRO HA H 3.969 . 1 192 19 19 PRO HB2 H 1.915 . 2 193 19 19 PRO HB3 H 1.392 . 2 194 19 19 PRO HD2 H 3.562 . 2 195 19 19 PRO HD3 H 3.668 . 2 196 19 19 PRO HG2 H 1.910 . 2 197 19 19 PRO HG3 H 2.051 . 2 198 19 19 PRO C C 178.124 . 1 199 19 19 PRO CA C 66.337 . 1 200 19 19 PRO CB C 31.664 . 1 201 19 19 PRO CD C 50.653 . 1 202 19 19 PRO CG C 28.293 . 1 203 20 20 PHE H H 8.189 . 1 204 20 20 PHE HA H 4.766 . 1 205 20 20 PHE HB2 H 3.042 . 2 206 20 20 PHE HB3 H 3.448 . 2 207 20 20 PHE HD1 H 7.286 . 3 208 20 20 PHE C C 175.511 . 1 209 20 20 PHE CA C 58.130 . 1 210 20 20 PHE CB C 39.660 . 1 211 20 20 PHE CD1 C 132.135 . 3 212 20 20 PHE N N 112.550 . 1 213 21 21 TYR H H 7.372 . 1 214 21 21 TYR HA H 4.782 . 1 215 21 21 TYR HB2 H 3.350 . 2 216 21 21 TYR HB3 H 3.115 . 2 217 21 21 TYR HD1 H 7.020 . 3 218 21 21 TYR HE1 H 6.900 . 3 219 21 21 TYR C C 172.283 . 1 220 21 21 TYR CA C 57.270 . 1 221 21 21 TYR CB C 39.449 . 1 222 21 21 TYR CD1 C 133.981 . 3 223 21 21 TYR CE1 C 118.297 . 3 224 21 21 TYR N N 117.630 . 1 225 22 22 ARG H H 8.418 . 1 226 22 22 ARG HA H 4.731 . 1 227 22 22 ARG HB2 H 1.833 . 2 228 22 22 ARG HB3 H 1.587 . 2 229 22 22 ARG HD2 H 3.549 . 2 230 22 22 ARG HD3 H 4.564 . 2 231 22 22 ARG HG2 H 1.577 . 2 232 22 22 ARG C C 175.885 . 1 233 22 22 ARG CA C 53.820 . 1 234 22 22 ARG CB C 31.000 . 1 235 22 22 ARG CD C 44.360 . 1 236 22 22 ARG CG C 27.444 . 1 237 22 22 ARG N N 120.060 . 1 238 23 23 HIS H H 8.879 . 1 239 23 23 HIS HA H 5.392 . 1 240 23 23 HIS HB2 H 2.721 . 2 241 23 23 HIS HB3 H 2.813 . 2 242 23 23 HIS HD2 H 6.461 . 1 243 23 23 HIS HE1 H 8.501 . 1 244 23 23 HIS C C 172.820 . 1 245 23 23 HIS CA C 55.010 . 1 246 23 23 HIS CB C 34.700 . 1 247 23 23 HIS CD2 C 114.244 . 1 248 23 23 HIS CE1 C 141.744 . 1 249 23 23 HIS N N 125.590 . 1 250 24 24 TRP H H 6.192 . 1 251 24 24 TRP HA H 5.613 . 1 252 24 24 TRP HB2 H 3.320 . 2 253 24 24 TRP HB3 H 2.427 . 2 254 24 24 TRP HD1 H 7.078 . 1 255 24 24 TRP HE1 H 9.913 . 1 256 24 24 TRP HE3 H 5.602 . 1 257 24 24 TRP HH2 H 7.080 . 1 258 24 24 TRP HZ2 H 7.255 . 1 259 24 24 TRP HZ3 H 7.495 . 1 260 24 24 TRP C C 174.044 . 1 261 24 24 TRP CA C 56.107 . 1 262 24 24 TRP CB C 34.444 . 1 263 24 24 TRP CD1 C 125.736 . 1 264 24 24 TRP CE3 C 115.826 . 1 265 24 24 TRP CH2 C 125.659 . 1 266 24 24 TRP CZ2 C 114.514 . 1 267 24 24 TRP CZ3 C 120.441 . 1 268 24 24 TRP N N 122.691 . 1 269 24 24 TRP NE1 N 130.270 . 1 270 25 25 ALA H H 9.399 . 1 271 25 25 ALA HA H 4.993 . 1 272 25 25 ALA HB H 1.152 . 1 273 25 25 ALA C C 174.293 . 1 274 25 25 ALA CA C 50.310 . 1 275 25 25 ALA CB C 23.470 . 1 276 25 25 ALA N N 123.370 . 1 277 26 26 ILE H H 9.176 . 1 278 26 26 ILE HA H 5.509 . 1 279 26 26 ILE HB H 1.469 . 1 280 26 26 ILE HD1 H 0.709 . 1 281 26 26 ILE HG12 H 1.600 . 1 282 26 26 ILE HG13 H 0.704 . 1 283 26 26 ILE HG2 H 0.892 . 2 284 26 26 ILE C C 174.101 . 1 285 26 26 ILE CA C 59.120 . 1 286 26 26 ILE CB C 43.420 . 1 287 26 26 ILE CD1 C 16.553 . 1 288 26 26 ILE CG1 C 29.236 . 2 289 26 26 ILE CG2 C 15.687 . 1 290 26 26 ILE N N 119.960 . 1 291 27 27 TYR H H 9.595 . 1 292 27 27 TYR HA H 4.699 . 1 293 27 27 TYR HB2 H 2.733 . 2 294 27 27 TYR HB3 H 3.256 . 2 295 27 27 TYR HD1 H 6.628 . 3 296 27 27 TYR C C 176.728 . 1 297 27 27 TYR CA C 60.040 . 1 298 27 27 TYR CB C 39.120 . 1 299 27 27 TYR CD1 C 133.245 . 3 300 27 27 TYR N N 129.950 . 1 301 28 28 VAL H H 8.396 . 1 302 28 28 VAL HA H 4.653 . 1 303 28 28 VAL HB H 2.472 . 1 304 28 28 VAL HG1 H 0.770 . 2 305 28 28 VAL HG2 H 0.591 . 2 306 28 28 VAL C C 174.725 . 1 307 28 28 VAL CA C 60.800 . 1 308 28 28 VAL CB C 32.516 . 1 309 28 28 VAL CG1 C 21.596 . 1 310 28 28 VAL CG2 C 19.510 . 1 311 28 28 VAL N N 119.070 . 1 312 29 29 GLY C C 177.428 . 1 313 30 30 ASP HA H 4.386 . 1 314 30 30 ASP HB2 H 2.698 . 2 315 30 30 ASP HB3 H 3.096 . 2 316 30 30 ASP C C 174.444 . 1 317 30 30 ASP CA C 55.970 . 1 318 30 30 ASP CB C 40.170 . 1 319 31 31 GLY H H 8.021 . 1 320 31 31 GLY HA2 H 4.138 . 2 321 31 31 GLY HA3 H 3.810 . 2 322 31 31 GLY C C 174.685 . 1 323 31 31 GLY CA C 45.441 . 1 324 31 31 GLY N N 100.231 . 1 325 32 32 TYR H H 7.865 . 1 326 32 32 TYR HA H 4.720 . 1 327 32 32 TYR HB2 H 2.830 . 2 328 32 32 TYR HB3 H 2.434 . 2 329 32 32 TYR HD1 H 6.750 . 3 330 32 32 TYR HE1 H 7.000 . 3 331 32 32 TYR C C 175.028 . 1 332 32 32 TYR CA C 59.820 . 1 333 32 32 TYR CB C 42.000 . 1 334 32 32 TYR CD1 C 133.419 . 3 335 32 32 TYR CE1 C 117.960 . 3 336 32 32 TYR N N 120.940 . 1 337 33 33 VAL H H 9.220 . 1 338 33 33 VAL HA H 5.414 . 1 339 33 33 VAL HB H 2.059 . 1 340 33 33 VAL HG1 H 0.812 . 2 341 33 33 VAL HG2 H 0.384 . 2 342 33 33 VAL C C 174.609 . 1 343 33 33 VAL CA C 57.810 . 1 344 33 33 VAL CB C 35.430 . 1 345 33 33 VAL CG1 C 24.283 . 1 346 33 33 VAL CG2 C 18.329 . 1 347 33 33 VAL N N 110.760 . 1 348 34 34 VAL H H 8.928 . 1 349 34 34 VAL HA H 5.535 . 1 350 34 34 VAL HB H 1.633 . 1 351 34 34 VAL HG1 H 0.983 . 2 352 34 34 VAL HG2 H 0.814 . 2 353 34 34 VAL C C 175.029 . 1 354 34 34 VAL CA C 61.450 . 1 355 34 34 VAL CB C 34.250 . 1 356 34 34 VAL CG1 C 21.437 . 1 357 34 34 VAL CG2 C 23.243 . 1 358 34 34 VAL N N 120.660 . 1 359 35 35 HIS H H 9.264 . 1 360 35 35 HIS HA H 5.091 . 1 361 35 35 HIS HB2 H 3.551 . 2 362 35 35 HIS HD2 H 6.969 . 1 363 35 35 HIS HE1 H 7.683 . 1 364 35 35 HIS C C 171.643 . 1 365 35 35 HIS CA C 55.000 . 1 366 35 35 HIS CB C 35.040 . 1 367 35 35 HIS CD2 C 114.368 . 1 368 35 35 HIS CE1 C 137.268 . 1 369 35 35 HIS N N 124.520 . 1 370 36 36 LEU H H 8.049 . 1 371 36 36 LEU HA H 4.590 . 1 372 36 36 LEU HB2 H 0.875 . 2 373 36 36 LEU HB3 H 1.904 . 2 374 36 36 LEU HD1 H -0.183 . 2 375 36 36 LEU HD2 H 1.056 . 2 376 36 36 LEU HG H 0.598 . 1 377 36 36 LEU C C 174.925 . 1 378 36 36 LEU CA C 53.880 . 1 379 36 36 LEU CB C 43.790 . 1 380 36 36 LEU CD1 C 23.738 . 1 381 36 36 LEU CD2 C 27.139 . 1 382 36 36 LEU CG C 25.643 . 1 383 36 36 LEU N N 118.900 . 1 384 37 37 ALA H H 8.642 . 1 385 37 37 ALA HA H 4.729 . 1 386 37 37 ALA HB H 1.031 . 1 387 37 37 ALA C C 175.422 . 1 388 37 37 ALA CA C 49.570 . 1 389 37 37 ALA CB C 21.590 . 1 390 37 37 ALA N N 122.840 . 1 391 38 38 PRO HA H 4.812 . 1 392 38 38 PRO HB2 H 1.846 . 2 393 38 38 PRO HB3 H 2.377 . 2 394 38 38 PRO HD2 H 3.574 . 2 395 38 38 PRO HD3 H 3.685 . 2 396 38 38 PRO HG2 H 1.951 . 2 397 38 38 PRO HG3 H 2.039 . 2 398 38 38 PRO CA C 61.273 . 1 399 38 38 PRO CB C 31.240 . 1 400 38 38 PRO CD C 50.700 . 1 401 38 38 PRO CG C 27.707 . 1 402 39 39 PRO HA H 4.318 . 1 403 39 39 PRO HB2 H 2.168 . 2 404 39 39 PRO HB3 H 1.951 . 2 405 39 39 PRO HD2 H 3.669 . 2 406 39 39 PRO HD3 H 3.829 . 2 407 39 39 PRO HG2 H 1.837 . 2 408 39 39 PRO HG3 H 1.986 . 2 409 39 39 PRO CA C 63.341 . 1 410 39 39 PRO CB C 32.259 . 1 411 39 39 PRO CD C 50.688 . 1 412 39 39 PRO CG C 27.998 . 1 413 40 40 SER H H 8.302 . 1 414 40 40 SER HA H 4.356 . 1 415 40 40 SER HB2 H 3.867 . 2 416 40 40 SER HB3 H 3.804 . 2 417 40 40 SER C C 174.544 . 1 418 40 40 SER CA C 58.990 . 1 419 40 40 SER CB C 64.260 . 1 420 40 40 SER N N 115.880 . 1 421 41 41 GLU H H 8.476 . 1 422 41 41 GLU HA H 4.300 . 1 423 41 41 GLU HB2 H 2.012 . 2 424 41 41 GLU HB3 H 1.890 . 2 425 41 41 GLU HG2 H 2.188 . 2 426 41 41 GLU HG3 H 2.215 . 2 427 41 41 GLU C C 176.497 . 1 428 41 41 GLU CA C 57.010 . 1 429 41 41 GLU CB C 30.690 . 1 430 41 41 GLU CG C 36.723 . 1 431 41 41 GLU N N 123.300 . 1 432 42 42 VAL H H 8.162 . 1 433 42 42 VAL HA H 4.088 . 1 434 42 42 VAL HB H 2.029 . 1 435 42 42 VAL HG2 H 0.897 . 2 436 42 42 VAL C C 176.132 . 1 437 42 42 VAL CA C 62.490 . 1 438 42 42 VAL CB C 33.100 . 1 439 42 42 VAL CG2 C 21.071 . 1 440 42 42 VAL N N 122.380 . 1 441 43 43 ALA H H 8.406 . 1 442 43 43 ALA HA H 4.291 . 1 443 43 43 ALA HB H 1.367 . 1 444 43 43 ALA C C 178.432 . 1 445 43 43 ALA CA C 53.070 . 1 446 43 43 ALA CB C 19.440 . 1 447 43 43 ALA N N 128.860 . 1 448 44 44 GLY H H 8.415 . 1 449 44 44 GLY HA2 H 3.907 . 2 450 44 44 GLY C C 174.362 . 1 451 44 44 GLY CA C 45.610 . 1 452 44 44 GLY N N 108.990 . 1 453 45 45 ALA HA H 4.290 . 1 454 45 45 ALA HB H 1.346 . 1 455 45 45 ALA C C 178.451 . 1 456 45 45 ALA CA C 53.070 . 1 457 45 45 ALA CB C 19.300 . 1 458 46 46 GLY H H 8.393 . 1 459 46 46 GLY HA2 H 3.922 . 2 460 46 46 GLY C C 174.285 . 1 461 46 46 GLY CA C 45.550 . 1 462 46 46 GLY N N 109.480 . 1 463 48 48 ALA HA H 4.290 . 1 464 48 48 ALA HB H 1.378 . 1 465 48 48 ALA C C 178.193 . 1 466 48 48 ALA CA C 53.248 . 1 467 48 48 ALA CB C 19.239 . 1 468 49 49 SER H H 8.129 . 1 469 49 49 SER HA H 4.391 . 1 470 49 49 SER HB2 H 3.816 . 2 471 49 49 SER HB3 H 3.866 . 2 472 49 49 SER C C 175.040 . 1 473 49 49 SER CA C 58.990 . 1 474 49 49 SER CB C 64.071 . 1 475 49 49 SER N N 115.040 . 1 476 50 50 VAL H H 7.979 . 1 477 50 50 VAL HA H 4.109 . 1 478 50 50 VAL HB H 2.100 . 1 479 50 50 VAL HG2 H 0.913 . 2 480 50 50 VAL C C 176.624 . 1 481 50 50 VAL CA C 63.090 . 1 482 50 50 VAL CB C 32.890 . 1 483 50 50 VAL CG2 C 21.370 . 1 484 50 50 VAL N N 121.610 . 1 485 51 51 MET H H 8.309 . 1 486 51 51 MET HA H 4.440 . 1 487 51 51 MET HB2 H 1.977 . 2 488 51 51 MET HB3 H 2.065 . 2 489 51 51 MET HE H 2.044 . 1 490 51 51 MET HG2 H 2.581 . 2 491 51 51 MET HG3 H 2.503 . 2 492 51 51 MET C C 176.744 . 1 493 51 51 MET CA C 56.280 . 1 494 51 51 MET CB C 32.870 . 1 495 51 51 MET CE C 17.170 . 1 496 51 51 MET CG C 32.345 . 1 497 51 51 MET N N 123.120 . 1 498 52 52 SER H H 8.173 . 1 499 52 52 SER HA H 4.357 . 1 500 52 52 SER HB2 H 3.813 . 2 501 52 52 SER HB3 H 3.866 . 2 502 52 52 SER C C 174.448 . 1 503 52 52 SER CA C 59.070 . 1 504 52 52 SER CB C 64.090 . 1 505 52 52 SER N N 117.240 . 1 506 53 53 ALA H H 8.201 . 1 507 53 53 ALA HA H 4.323 . 1 508 53 53 ALA HB H 1.373 . 1 509 53 53 ALA C C 177.874 . 1 510 53 53 ALA CA C 53.050 . 1 511 53 53 ALA CB C 19.570 . 1 512 53 53 ALA N N 125.800 . 1 513 54 54 LEU H H 8.091 . 1 514 54 54 LEU HA H 4.331 . 1 515 54 54 LEU HB2 H 1.584 . 2 516 54 54 LEU HB3 H 1.653 . 2 517 54 54 LEU HD1 H 0.826 . 2 518 54 54 LEU HD2 H 0.894 . 2 519 54 54 LEU HG H 1.630 . 1 520 54 54 LEU C C 177.635 . 1 521 54 54 LEU CA C 55.780 . 1 522 54 54 LEU CB C 42.610 . 1 523 54 54 LEU CD1 C 23.739 . 1 524 54 54 LEU CD2 C 25.440 . 1 525 54 54 LEU CG C 27.075 . 1 526 54 54 LEU N N 120.870 . 1 527 55 55 THR H H 7.827 . 1 528 55 55 THR HA H 4.342 . 1 529 55 55 THR HB H 4.235 . 1 530 55 55 THR HG2 H 1.170 . 1 531 55 55 THR C C 174.239 . 1 532 55 55 THR CA C 62.050 . 1 533 55 55 THR CB C 70.066 . 1 534 55 55 THR CG2 C 21.850 . 1 535 55 55 THR N N 113.510 . 1 536 56 56 ASP H H 8.181 . 1 537 56 56 ASP HA H 4.582 . 1 538 56 56 ASP HB2 H 2.594 . 2 539 56 56 ASP HB3 H 2.568 . 2 540 56 56 ASP C C 174.478 . 1 541 56 56 ASP CA C 54.750 . 1 542 56 56 ASP CB C 41.350 . 1 543 56 56 ASP N N 123.580 . 1 544 57 57 LYS H H 7.558 . 1 545 57 57 LYS HA H 4.634 . 1 546 57 57 LYS HB2 H 1.738 . 2 547 57 57 LYS HB3 H 1.608 . 2 548 57 57 LYS HD2 H 1.507 . 2 549 57 57 LYS HE2 H 2.821 . 2 550 57 57 LYS HG2 H 1.267 . 2 551 57 57 LYS HG3 H 1.241 . 2 552 57 57 LYS CA C 55.910 . 1 553 57 57 LYS CB C 35.600 . 1 554 57 57 LYS CD C 29.574 . 1 555 57 57 LYS CE C 42.280 . 1 556 57 57 LYS CG C 24.823 . 1 557 57 57 LYS N N 119.070 . 1 558 58 58 ALA H H 8.423 . 1 559 58 58 ALA HA H 4.574 . 1 560 58 58 ALA HB H 1.158 . 1 561 58 58 ALA C C 174.792 . 1 562 58 58 ALA CA C 51.225 . 1 563 58 58 ALA CB C 22.810 . 1 564 58 58 ALA N N 122.860 . 1 565 59 59 ILE H H 8.848 . 1 566 59 59 ILE HA H 4.910 . 1 567 59 59 ILE HB H 1.505 . 1 568 59 59 ILE HD1 H 0.769 . 1 569 59 59 ILE HG12 H 1.001 . 1 570 59 59 ILE HG13 H 1.249 . 1 571 59 59 ILE HG2 H 0.703 . 2 572 59 59 ILE C C 174.568 . 1 573 59 59 ILE CA C 58.650 . 1 574 59 59 ILE CB C 41.840 . 1 575 59 59 ILE CD1 C 13.337 . 1 576 59 59 ILE CG1 C 28.014 . 2 577 59 59 ILE CG2 C 17.433 . 1 578 59 59 ILE N N 119.000 . 1 579 60 60 VAL H H 8.095 . 1 580 60 60 VAL HA H 4.116 . 1 581 60 60 VAL HB H 2.389 . 1 582 60 60 VAL HG1 H 0.859 . 2 583 60 60 VAL HG2 H 0.729 . 2 584 60 60 VAL C C 177.095 . 1 585 60 60 VAL CA C 63.070 . 1 586 60 60 VAL CB C 31.070 . 1 587 60 60 VAL CG1 C 23.414 . 1 588 60 60 VAL CG2 C 21.632 . 1 589 60 60 VAL N N 124.850 . 1 590 61 61 LYS H H 9.249 . 1 591 61 61 LYS HA H 4.824 . 1 592 61 61 LYS HB2 H 1.680 . 2 593 61 61 LYS HB3 H 1.457 . 2 594 61 61 LYS HD2 H 1.500 . 2 595 61 61 LYS HE2 H 2.736 . 2 596 61 61 LYS HE3 H 2.825 . 2 597 61 61 LYS HG2 H 1.198 . 2 598 61 61 LYS HG3 H 1.329 . 2 599 61 61 LYS C C 174.153 . 1 600 61 61 LYS CA C 55.630 . 1 601 61 61 LYS CB C 37.770 . 1 602 61 61 LYS CD C 29.838 . 1 603 61 61 LYS CE C 42.354 . 1 604 61 61 LYS CG C 25.957 . 1 605 61 61 LYS N N 130.360 . 1 606 62 62 LYS H H 8.695 . 1 607 62 62 LYS HA H 5.742 . 1 608 62 62 LYS HB2 H 1.865 . 2 609 62 62 LYS HB3 H 1.531 . 2 610 62 62 LYS HD2 H 1.406 . 2 611 62 62 LYS HD3 H 1.327 . 2 612 62 62 LYS HE2 H 1.876 . 2 613 62 62 LYS HE3 H 2.150 . 2 614 62 62 LYS HG2 H 0.920 . 2 615 62 62 LYS HG3 H 1.069 . 2 616 62 62 LYS C C 176.200 . 1 617 62 62 LYS CA C 55.033 . 1 618 62 62 LYS CB C 35.668 . 1 619 62 62 LYS CD C 30.147 . 1 620 62 62 LYS CE C 41.853 . 1 621 62 62 LYS CG C 26.009 . 1 622 62 62 LYS N N 124.790 . 1 623 63 63 GLU H H 8.989 . 1 624 63 63 GLU HA H 4.910 . 1 625 63 63 GLU HB2 H 2.145 . 2 626 63 63 GLU HB3 H 1.607 . 2 627 63 63 GLU HG2 H 2.345 . 2 628 63 63 GLU HG3 H 2.147 . 2 629 63 63 GLU C C 174.786 . 1 630 63 63 GLU CA C 54.890 . 1 631 63 63 GLU CB C 37.380 . 1 632 63 63 GLU CG C 39.458 . 1 633 63 63 GLU N N 125.440 . 1 634 64 64 LEU H H 9.276 . 1 635 64 64 LEU HA H 3.954 . 1 636 64 64 LEU HB2 H 1.199 . 2 637 64 64 LEU HB3 H 1.675 . 2 638 64 64 LEU HD1 H 0.031 . 2 639 64 64 LEU HD2 H 0.809 . 2 640 64 64 LEU HG H 1.372 . 1 641 64 64 LEU C C 178.628 . 1 642 64 64 LEU CA C 55.570 . 1 643 64 64 LEU CB C 41.400 . 1 644 64 64 LEU CD1 C 22.098 . 1 645 64 64 LEU CD2 C 25.700 . 1 646 64 64 LEU CG C 27.496 . 1 647 64 64 LEU N N 124.120 . 1 648 65 65 LEU H H 9.017 . 1 649 65 65 LEU HA H 3.583 . 1 650 65 65 LEU HB2 H 1.721 . 2 651 65 65 LEU HB3 H 1.194 . 2 652 65 65 LEU HD1 H 0.229 . 2 653 65 65 LEU HD2 H 0.477 . 2 654 65 65 LEU HG H 1.024 . 1 655 65 65 LEU C C 177.181 . 1 656 65 65 LEU CA C 58.470 . 1 657 65 65 LEU CB C 41.026 . 1 658 65 65 LEU CD1 C 22.108 . 1 659 65 65 LEU CD2 C 25.528 . 1 660 65 65 LEU CG C 27.157 . 1 661 65 65 LEU N N 126.330 . 1 662 66 66 TYR H H 8.408 . 1 663 66 66 TYR HA H 4.119 . 1 664 66 66 TYR HB2 H 2.973 . 2 665 66 66 TYR HB3 H 2.779 . 2 666 66 66 TYR HD1 H 7.059 . 3 667 66 66 TYR HE1 H 6.797 . 3 668 66 66 TYR C C 178.619 . 1 669 66 66 TYR CA C 60.890 . 1 670 66 66 TYR CB C 38.700 . 1 671 66 66 TYR CD1 C 133.098 . 3 672 66 66 TYR CE1 C 118.441 . 3 673 66 66 TYR N N 115.880 . 1 674 67 67 ASP H H 6.736 . 1 675 67 67 ASP HA H 4.433 . 1 676 67 67 ASP HB2 H 2.675 . 2 677 67 67 ASP HB3 H 2.702 . 2 678 67 67 ASP C C 177.728 . 1 679 67 67 ASP CA C 56.900 . 1 680 67 67 ASP CB C 40.990 . 1 681 67 67 ASP N N 119.010 . 1 682 68 68 VAL H H 7.827 . 1 683 68 68 VAL HA H 3.473 . 1 684 68 68 VAL HB H 1.462 . 1 685 68 68 VAL HG1 H 0.411 . 2 686 68 68 VAL HG2 H 0.419 . 2 687 68 68 VAL C C 178.445 . 1 688 68 68 VAL CA C 65.810 . 1 689 68 68 VAL CB C 32.800 . 1 690 68 68 VAL CG1 C 23.011 . 1 691 68 68 VAL CG2 C 21.104 . 1 692 68 68 VAL N N 121.520 . 1 693 69 69 ALA H H 8.789 . 1 694 69 69 ALA HA H 3.784 . 1 695 69 69 ALA HB H 1.134 . 1 696 69 69 ALA C C 178.501 . 1 697 69 69 ALA CA C 55.410 . 1 698 69 69 ALA CB C 18.750 . 1 699 69 69 ALA N N 121.410 . 1 700 70 70 GLY H H 7.054 . 1 701 70 70 GLY HA2 H 3.850 . 2 702 70 70 GLY HA3 H 3.687 . 2 703 70 70 GLY C C 175.961 . 1 704 70 70 GLY CA C 47.100 . 1 705 70 70 GLY N N 104.260 . 1 706 71 71 SER H H 8.978 . 1 707 71 71 SER HA H 4.473 . 1 708 71 71 SER HB2 H 3.961 . 2 709 71 71 SER HB3 H 3.824 . 2 710 71 71 SER C C 174.420 . 1 711 71 71 SER CA C 58.480 . 1 712 71 71 SER CB C 63.840 . 1 713 71 71 SER N N 123.330 . 1 714 72 72 ASP H H 8.184 . 1 715 72 72 ASP HA H 4.686 . 1 716 72 72 ASP HB2 H 2.575 . 2 717 72 72 ASP HB3 H 2.674 . 2 718 72 72 ASP C C 175.516 . 1 719 72 72 ASP CA C 55.370 . 1 720 72 72 ASP CB C 42.210 . 1 721 72 72 ASP N N 124.480 . 1 722 73 73 LYS H H 8.613 . 1 723 73 73 LYS HA H 4.123 . 1 724 73 73 LYS HB2 H 1.700 . 2 725 73 73 LYS HB3 H 1.631 . 2 726 73 73 LYS HD2 H 1.391 . 2 727 73 73 LYS HD3 H 1.283 . 2 728 73 73 LYS HE2 H 2.564 . 2 729 73 73 LYS HG2 H 1.368 . 2 730 73 73 LYS HG3 H 1.135 . 2 731 73 73 LYS C C 174.810 . 1 732 73 73 LYS CA C 56.413 . 1 733 73 73 LYS CB C 33.370 . 1 734 73 73 LYS CD C 29.271 . 1 735 73 73 LYS CE C 42.360 . 1 736 73 73 LYS CG C 25.436 . 1 737 73 73 LYS N N 122.059 . 1 738 74 74 TYR H H 7.595 . 1 739 74 74 TYR HA H 5.704 . 1 740 74 74 TYR HB2 H 2.608 . 2 741 74 74 TYR HD1 H 6.692 . 3 742 74 74 TYR HE1 H 6.588 . 3 743 74 74 TYR C C 173.663 . 1 744 74 74 TYR CA C 55.290 . 1 745 74 74 TYR CB C 42.720 . 1 746 74 74 TYR CD1 C 133.339 . 3 747 74 74 TYR CE1 C 117.844 . 3 748 74 74 TYR N N 116.820 . 1 749 75 75 GLN H H 8.869 . 1 750 75 75 GLN HA H 4.636 . 1 751 75 75 GLN HB2 H 1.988 . 2 752 75 75 GLN HB3 H 2.047 . 2 753 75 75 GLN HE21 H 6.818 . 2 754 75 75 GLN HE22 H 7.866 . 2 755 75 75 GLN HG2 H 2.130 . 2 756 75 75 GLN C C 174.400 . 1 757 75 75 GLN CA C 53.900 . 1 758 75 75 GLN CB C 31.680 . 1 759 75 75 GLN CG C 32.035 . 1 760 75 75 GLN N N 115.850 . 1 761 75 75 GLN NE2 N 112.427 . 1 762 76 76 VAL H H 8.679 . 1 763 76 76 VAL HA H 4.595 . 1 764 76 76 VAL HB H 1.886 . 1 765 76 76 VAL HG1 H 0.895 . 2 766 76 76 VAL HG2 H 0.945 . 2 767 76 76 VAL C C 177.233 . 1 768 76 76 VAL CA C 63.440 . 1 769 76 76 VAL CB C 32.060 . 1 770 76 76 VAL CG1 C 21.944 . 1 771 76 76 VAL CG2 C 20.685 . 1 772 76 76 VAL N N 124.360 . 1 773 77 77 ASN H H 8.806 . 1 774 77 77 ASN HA H 4.748 . 1 775 77 77 ASN HB2 H 3.250 . 2 776 77 77 ASN HB3 H 2.526 . 2 777 77 77 ASN HD21 H 6.654 . 2 778 77 77 ASN HD22 H 8.228 . 2 779 77 77 ASN C C 174.441 . 1 780 77 77 ASN CA C 52.530 . 1 781 77 77 ASN CB C 38.980 . 1 782 77 77 ASN N N 127.050 . 1 783 77 77 ASN ND2 N 110.004 . 1 784 78 78 ASN H H 8.766 . 1 785 78 78 ASN HA H 5.200 . 1 786 78 78 ASN HB2 H 2.962 . 2 787 78 78 ASN HB3 H 2.635 . 2 788 78 78 ASN HD21 H 7.115 . 2 789 78 78 ASN HD22 H 7.064 . 2 790 78 78 ASN C C 178.370 . 1 791 78 78 ASN CA C 52.860 . 1 792 78 78 ASN CB C 36.280 . 1 793 78 78 ASN N N 125.510 . 1 794 78 78 ASN ND2 N 112.400 . 1 795 79 79 LYS H H 7.791 . 1 796 79 79 LYS HA H 3.748 . 1 797 79 79 LYS HB2 H 1.534 . 2 798 79 79 LYS HB3 H 1.407 . 2 799 79 79 LYS HD2 H 1.515 . 2 800 79 79 LYS HE2 H 2.839 . 2 801 79 79 LYS HG2 H 0.951 . 2 802 79 79 LYS HG3 H 0.684 . 2 803 79 79 LYS C C 177.017 . 1 804 79 79 LYS CA C 60.550 . 1 805 79 79 LYS CB C 34.260 . 1 806 79 79 LYS CD C 30.051 . 1 807 79 79 LYS CE C 42.328 . 1 808 79 79 LYS CG C 24.288 . 1 809 79 79 LYS N N 122.531 . 1 810 80 80 HIS H H 7.645 . 1 811 80 80 HIS HA H 5.099 . 1 812 80 80 HIS HB2 H 3.017 . 2 813 80 80 HIS HB3 H 2.351 . 2 814 80 80 HIS HD2 H 7.088 . 1 815 80 80 HIS HE1 H 7.697 . 1 816 80 80 HIS C C 176.169 . 1 817 80 80 HIS CA C 55.500 . 1 818 80 80 HIS CB C 30.680 . 1 819 80 80 HIS CD2 C 125.659 . 1 820 80 80 HIS CE1 C 138.359 . 1 821 80 80 HIS N N 114.510 . 1 822 81 81 ASP H H 7.747 . 1 823 81 81 ASP HA H 5.050 . 1 824 81 81 ASP HB2 H 2.884 . 2 825 81 81 ASP C C 176.025 . 1 826 81 81 ASP CA C 56.690 . 1 827 81 81 ASP CB C 40.120 . 1 828 81 81 ASP N N 122.312 . 1 829 82 82 ASP H H 8.410 . 1 830 82 82 ASP HA H 4.342 . 1 831 82 82 ASP HB2 H 2.651 . 2 832 82 82 ASP C C 176.448 . 1 833 82 82 ASP CA C 55.230 . 1 834 82 82 ASP CB C 39.620 . 1 835 82 82 ASP N N 116.930 . 1 836 83 83 LYS H H 7.559 . 1 837 83 83 LYS HA H 4.204 . 1 838 83 83 LYS HB2 H 1.090 . 2 839 83 83 LYS HD2 H 1.288 . 2 840 83 83 LYS HE2 H 2.699 . 2 841 83 83 LYS HE3 H 2.748 . 2 842 83 83 LYS HG2 H 0.843 . 2 843 83 83 LYS HG3 H 0.737 . 2 844 83 83 LYS C C 175.322 . 1 845 83 83 LYS CA C 56.920 . 1 846 83 83 LYS CB C 34.560 . 1 847 83 83 LYS CD C 28.823 . 1 848 83 83 LYS CE C 41.289 . 1 849 83 83 LYS CG C 23.222 . 1 850 83 83 LYS N N 120.570 . 1 851 84 84 TYR H H 7.961 . 1 852 84 84 TYR HA H 4.909 . 1 853 84 84 TYR HB2 H 2.986 . 2 854 84 84 TYR HB3 H 2.097 . 2 855 84 84 TYR HD1 H 6.486 . 3 856 84 84 TYR HE1 H 6.351 . 3 857 84 84 TYR C C 174.648 . 1 858 84 84 TYR CA C 54.470 . 1 859 84 84 TYR CB C 41.250 . 1 860 84 84 TYR CD1 C 133.078 . 3 861 84 84 TYR CE1 C 117.457 . 3 862 84 84 TYR N N 120.440 . 1 863 85 85 SER H H 8.434 . 1 864 85 85 SER HA H 4.966 . 1 865 85 85 SER HB2 H 3.791 . 2 866 85 85 SER HB3 H 3.912 . 2 867 85 85 SER C C 173.469 . 1 868 85 85 SER CA C 56.430 . 1 869 85 85 SER CB C 63.820 . 1 870 85 85 SER N N 116.320 . 1 871 86 86 PRO HA H 4.464 . 1 872 86 86 PRO HB2 H 1.968 . 2 873 86 86 PRO HB3 H 1.894 . 2 874 86 86 PRO HD2 H 3.384 . 2 875 86 86 PRO HD3 H 3.864 . 2 876 86 86 PRO HG2 H 2.093 . 2 877 86 86 PRO CA C 63.050 . 1 878 86 86 PRO CB C 32.140 . 1 879 86 86 PRO CD C 50.400 . 1 880 86 86 PRO CG C 28.662 . 1 881 87 87 LEU H H 8.505 . 1 882 87 87 LEU HA H 4.353 . 1 883 87 87 LEU HB2 H 1.195 . 2 884 87 87 LEU HB3 H 1.490 . 2 885 87 87 LEU HD1 H 0.833 . 2 886 87 87 LEU HD2 H 0.655 . 2 887 87 87 LEU HG H 1.502 . 1 888 87 87 LEU CA C 54.120 . 1 889 87 87 LEU CB C 41.089 . 1 890 87 87 LEU CD1 C 23.313 . 1 891 87 87 LEU CD2 C 25.772 . 1 892 87 87 LEU CG C 27.992 . 1 893 87 87 LEU N N 124.710 . 1 894 89 89 CYS HA H 3.886 . 1 895 89 89 CYS HB2 H 2.918 . 2 896 89 89 CYS C C 176.162 . 1 897 89 89 CYS CA C 63.553 . 1 898 89 89 CYS CB C 26.904 . 1 899 90 90 SER H H 8.663 . 1 900 90 90 SER HA H 4.055 . 1 901 90 90 SER HB2 H 3.836 . 2 902 90 90 SER HB3 H 3.880 . 2 903 90 90 SER C C 177.057 . 1 904 90 90 SER CA C 61.611 . 1 905 90 90 SER CB C 62.130 . 1 906 90 90 SER N N 113.490 . 1 907 91 91 LYS H H 7.154 . 1 908 91 91 LYS HA H 4.202 . 1 909 91 91 LYS HB2 H 1.921 . 2 910 91 91 LYS HD2 H 1.680 . 2 911 91 91 LYS HE2 H 2.942 . 2 912 91 91 LYS HG2 H 1.450 . 2 913 91 91 LYS HG3 H 1.509 . 2 914 91 91 LYS C C 178.877 . 1 915 91 91 LYS CA C 58.330 . 1 916 91 91 LYS CB C 32.680 . 1 917 91 91 LYS CD C 29.053 . 1 918 91 91 LYS CE C 42.282 . 1 919 91 91 LYS CG C 25.505 . 1 920 91 91 LYS N N 122.660 . 1 921 92 92 ILE H H 7.719 . 1 922 92 92 ILE HA H 3.415 . 1 923 92 92 ILE HB H 1.818 . 1 924 92 92 ILE HD1 H 0.933 . 1 925 92 92 ILE HG12 H 1.573 . 1 926 92 92 ILE HG13 H 1.319 . 1 927 92 92 ILE HG2 H 0.679 . 2 928 92 92 ILE C C 177.621 . 1 929 92 92 ILE CA C 66.500 . 1 930 92 92 ILE CB C 38.890 . 1 931 92 92 ILE CD1 C 15.040 . 1 932 92 92 ILE CG1 C 27.226 . 2 933 92 92 ILE CG2 C 17.879 . 1 934 92 92 ILE N N 121.350 . 1 935 93 93 ILE H H 8.033 . 1 936 93 93 ILE HA H 3.514 . 1 937 93 93 ILE HB H 1.879 . 1 938 93 93 ILE HD1 H 0.787 . 1 939 93 93 ILE HG12 H 1.390 . 1 940 93 93 ILE HG13 H 1.509 . 1 941 93 93 ILE HG2 H 0.909 . 2 942 93 93 ILE CA C 65.080 . 1 943 93 93 ILE CB C 37.630 . 1 944 93 93 ILE CD1 C 13.098 . 1 945 93 93 ILE CG1 C 28.773 . 2 946 93 93 ILE CG2 C 18.800 . 1 947 93 93 ILE N N 115.840 . 1 948 94 94 GLN H H 7.556 . 1 949 94 94 GLN HA H 3.978 . 1 950 94 94 GLN HB2 H 2.172 . 2 951 94 94 GLN HB3 H 2.058 . 2 952 94 94 GLN HE21 H 7.569 . 2 953 94 94 GLN HE22 H 6.737 . 2 954 94 94 GLN HG2 H 2.468 . 2 955 94 94 GLN HG3 H 2.276 . 2 956 94 94 GLN C C 178.785 . 1 957 94 94 GLN CA C 59.530 . 1 958 94 94 GLN CB C 28.820 . 1 959 94 94 GLN CG C 33.851 . 1 960 94 94 GLN N N 118.820 . 1 961 94 94 GLN NE2 N 112.264 . 1 962 95 95 ARG H H 7.664 . 1 963 95 95 ARG HA H 3.996 . 1 964 95 95 ARG HB2 H 1.794 . 2 965 95 95 ARG HB3 H 1.876 . 2 966 95 95 ARG HD2 H 3.014 . 2 967 95 95 ARG HD3 H 3.302 . 2 968 95 95 ARG HG2 H 1.592 . 2 969 95 95 ARG HG3 H 1.684 . 2 970 95 95 ARG C C 178.025 . 1 971 95 95 ARG CA C 58.810 . 1 972 95 95 ARG CB C 30.050 . 1 973 95 95 ARG CD C 43.779 . 1 974 95 95 ARG CG C 27.873 . 1 975 95 95 ARG N N 119.170 . 1 976 96 96 ALA H H 8.237 . 1 977 96 96 ALA HA H 3.818 . 1 978 96 96 ALA HB H 1.281 . 1 979 96 96 ALA C C 178.882 . 1 980 96 96 ALA CA C 55.880 . 1 981 96 96 ALA CB C 18.620 . 1 982 96 96 ALA N N 120.520 . 1 983 97 97 GLU H H 8.267 . 1 984 97 97 GLU HA H 3.913 . 1 985 97 97 GLU HB2 H 1.970 . 2 986 97 97 GLU HB3 H 1.991 . 2 987 97 97 GLU HG2 H 2.360 . 2 988 97 97 GLU HG3 H 2.117 . 2 989 97 97 GLU C C 180.577 . 1 990 97 97 GLU CA C 59.680 . 1 991 97 97 GLU CB C 29.370 . 1 992 97 97 GLU CG C 37.041 . 1 993 97 97 GLU N N 113.500 . 1 994 98 98 GLU H H 7.828 . 1 995 98 98 GLU HA H 4.058 . 1 996 98 98 GLU HB2 H 2.221 . 2 997 98 98 GLU HB3 H 2.058 . 2 998 98 98 GLU HG2 H 2.428 . 2 999 98 98 GLU HG3 H 2.358 . 2 1000 98 98 GLU C C 178.049 . 1 1001 98 98 GLU CA C 58.860 . 1 1002 98 98 GLU CB C 30.100 . 1 1003 98 98 GLU CG C 36.862 . 1 1004 98 98 GLU N N 119.430 . 1 1005 99 99 LEU H H 7.280 . 1 1006 99 99 LEU HA H 4.210 . 1 1007 99 99 LEU HB2 H 1.984 . 2 1008 99 99 LEU HB3 H 1.616 . 2 1009 99 99 LEU HD1 H 0.834 . 2 1010 99 99 LEU HD2 H 0.920 . 2 1011 99 99 LEU HG H 1.859 . 1 1012 99 99 LEU C C 176.824 . 1 1013 99 99 LEU CA C 55.610 . 1 1014 99 99 LEU CB C 44.600 . 1 1015 99 99 LEU CD1 C 22.317 . 1 1016 99 99 LEU CD2 C 27.329 . 1 1017 99 99 LEU CG C 27.074 . 1 1018 99 99 LEU N N 117.910 . 1 1019 100 100 VAL H H 7.063 . 1 1020 100 100 VAL HA H 3.170 . 1 1021 100 100 VAL HB H 2.067 . 1 1022 100 100 VAL HG1 H 1.137 . 2 1023 100 100 VAL HG2 H 0.969 . 2 1024 100 100 VAL C C 177.782 . 1 1025 100 100 VAL CA C 66.560 . 1 1026 100 100 VAL CB C 31.767 . 1 1027 100 100 VAL CG1 C 25.331 . 1 1028 100 100 VAL CG2 C 22.443 . 1 1029 100 100 VAL N N 119.440 . 1 1030 101 101 GLY H H 9.067 . 1 1031 101 101 GLY HA2 H 3.603 . 2 1032 101 101 GLY HA3 H 4.442 . 2 1033 101 101 GLY C C 174.619 . 1 1034 101 101 GLY CA C 45.068 . 1 1035 101 101 GLY N N 117.030 . 1 1036 102 102 GLN H H 8.393 . 1 1037 102 102 GLN HA H 4.306 . 1 1038 102 102 GLN HB2 H 2.143 . 2 1039 102 102 GLN HE21 H 7.463 . 2 1040 102 102 GLN HE22 H 6.907 . 2 1041 102 102 GLN HG2 H 2.322 . 2 1042 102 102 GLN HG3 H 2.370 . 2 1043 102 102 GLN C C 175.041 . 1 1044 102 102 GLN CA C 56.290 . 1 1045 102 102 GLN CB C 29.350 . 1 1046 102 102 GLN CG C 34.651 . 1 1047 102 102 GLN N N 120.530 . 1 1048 102 102 GLN NE2 N 114.060 . 1 1049 103 103 GLU H H 8.310 . 1 1050 103 103 GLU HA H 5.001 . 1 1051 103 103 GLU HB2 H 1.863 . 2 1052 103 103 GLU HG2 H 2.283 . 2 1053 103 103 GLU HG3 H 2.052 . 2 1054 103 103 GLU C C 177.304 . 1 1055 103 103 GLU CA C 55.260 . 1 1056 103 103 GLU CB C 31.660 . 1 1057 103 103 GLU CG C 37.033 . 1 1058 103 103 GLU N N 120.460 . 1 1059 104 104 VAL H H 8.442 . 1 1060 104 104 VAL HA H 4.454 . 1 1061 104 104 VAL HB H 1.685 . 1 1062 104 104 VAL HG1 H 0.651 . 2 1063 104 104 VAL HG2 H 0.454 . 2 1064 104 104 VAL C C 176.073 . 1 1065 104 104 VAL CA C 60.010 . 1 1066 104 104 VAL CB C 34.390 . 1 1067 104 104 VAL CG1 C 21.624 . 1 1068 104 104 VAL CG2 C 20.383 . 1 1069 104 104 VAL N N 118.470 . 1 1070 105 105 LEU H H 8.398 . 1 1071 105 105 LEU HA H 4.438 . 1 1072 105 105 LEU HB2 H 1.544 . 2 1073 105 105 LEU HD1 H 0.879 . 2 1074 105 105 LEU HD2 H 0.741 . 2 1075 105 105 LEU HG H 1.563 . 1 1076 105 105 LEU C C 174.685 . 1 1077 105 105 LEU CA C 54.550 . 1 1078 105 105 LEU CB C 40.469 . 1 1079 105 105 LEU CD1 C 25.409 . 1 1080 105 105 LEU CD2 C 23.278 . 1 1081 105 105 LEU CG C 27.111 . 1 1082 105 105 LEU N N 124.360 . 1 1083 106 106 TYR H H 7.002 . 1 1084 106 106 TYR HA H 4.589 . 1 1085 106 106 TYR HB2 H 2.981 . 2 1086 106 106 TYR HB3 H 2.722 . 2 1087 106 106 TYR HD1 H 6.843 . 3 1088 106 106 TYR HE1 H 6.701 . 3 1089 106 106 TYR C C 174.159 . 1 1090 106 106 TYR CA C 55.780 . 1 1091 106 106 TYR CB C 40.190 . 1 1092 106 106 TYR CD1 C 133.318 . 3 1093 106 106 TYR CE1 C 118.180 . 3 1094 106 106 TYR N N 118.110 . 1 1095 107 107 LYS H H 8.003 . 1 1096 107 107 LYS HA H 4.213 . 1 1097 107 107 LYS HB2 H 1.677 . 2 1098 107 107 LYS HD2 H 1.615 . 2 1099 107 107 LYS HE2 H 2.939 . 2 1100 107 107 LYS HG2 H 1.391 . 2 1101 107 107 LYS HG3 H 1.471 . 2 1102 107 107 LYS C C 177.342 . 1 1103 107 107 LYS CA C 56.144 . 1 1104 107 107 LYS CB C 34.220 . 1 1105 107 107 LYS CD C 29.383 . 1 1106 107 107 LYS CE C 42.383 . 1 1107 107 107 LYS CG C 25.358 . 1 1108 107 107 LYS N N 118.000 . 1 1109 108 108 LEU H H 8.609 . 1 1110 108 108 LEU HA H 4.210 . 1 1111 108 108 LEU HB2 H 1.709 . 2 1112 108 108 LEU HB3 H 1.332 . 2 1113 108 108 LEU HD1 H 0.727 . 2 1114 108 108 LEU HD2 H 1.160 . 2 1115 108 108 LEU HG H 1.458 . 1 1116 108 108 LEU C C 175.350 . 1 1117 108 108 LEU CA C 56.160 . 1 1118 108 108 LEU CB C 40.825 . 1 1119 108 108 LEU CD1 C 25.582 . 1 1120 108 108 LEU CD2 C 22.873 . 1 1121 108 108 LEU CG C 27.682 . 1 1122 108 108 LEU N N 125.010 . 1 1123 109 109 THR H H 7.617 . 1 1124 109 109 THR HA H 4.620 . 1 1125 109 109 THR HB H 4.643 . 1 1126 109 109 THR HG2 H 1.131 . 1 1127 109 109 THR CA C 59.170 . 1 1128 109 109 THR CB C 73.100 . 1 1129 109 109 THR CG2 C 22.461 . 1 1130 109 109 THR N N 117.600 . 1 1131 110 110 SER HA H 4.750 . 1 1132 110 110 SER HB2 H 4.136 . 2 1133 110 110 SER C C 177.223 . 1 1134 110 110 SER CA C 63.190 . 1 1135 110 110 SER CB C 63.500 . 1 1136 111 111 GLU H H 8.965 . 1 1137 111 111 GLU HA H 4.092 . 1 1138 111 111 GLU HB2 H 1.997 . 2 1139 111 111 GLU HB3 H 1.861 . 2 1140 111 111 GLU HG2 H 2.276 . 2 1141 111 111 GLU HG3 H 2.307 . 2 1142 111 111 GLU C C 179.208 . 1 1143 111 111 GLU CA C 60.300 . 1 1144 111 111 GLU CB C 29.310 . 1 1145 111 111 GLU CG C 37.048 . 1 1146 111 111 GLU N N 119.910 . 1 1147 112 112 ASN H H 8.048 . 1 1148 112 112 ASN HA H 4.530 . 1 1149 112 112 ASN HB2 H 3.056 . 2 1150 112 112 ASN HB3 H 2.617 . 2 1151 112 112 ASN HD21 H 8.579 . 2 1152 112 112 ASN HD22 H 7.034 . 2 1153 112 112 ASN C C 178.569 . 1 1154 112 112 ASN CA C 55.630 . 1 1155 112 112 ASN CB C 37.650 . 1 1156 112 112 ASN N N 120.140 . 1 1157 112 112 ASN ND2 N 113.075 . 1 1158 113 113 CYS H H 8.778 . 1 1159 113 113 CYS HA H 4.322 . 1 1160 113 113 CYS HB2 H 3.672 . 2 1161 113 113 CYS HB3 H 3.363 . 2 1162 113 113 CYS CA C 64.830 . 1 1163 113 113 CYS CB C 27.320 . 1 1164 113 113 CYS N N 121.070 . 1 1165 114 114 GLU H H 8.101 . 1 1166 114 114 GLU HA H 3.174 . 1 1167 114 114 GLU HB2 H 1.689 . 2 1168 114 114 GLU HB3 H 1.359 . 2 1169 114 114 GLU HG2 H 0.528 . 2 1170 114 114 GLU HG3 H 1.448 . 2 1171 114 114 GLU C C 178.065 . 1 1172 114 114 GLU CA C 59.610 . 1 1173 114 114 GLU CB C 29.540 . 1 1174 114 114 GLU CG C 35.192 . 1 1175 114 114 GLU N N 122.000 . 1 1176 115 115 HIS H H 8.239 . 1 1177 115 115 HIS HA H 4.184 . 1 1178 115 115 HIS HB2 H 3.212 . 2 1179 115 115 HIS HD2 H 6.978 . 1 1180 115 115 HIS HE1 H 7.998 . 1 1181 115 115 HIS C C 177.187 . 1 1182 115 115 HIS CA C 60.340 . 1 1183 115 115 HIS CB C 30.226 . 1 1184 115 115 HIS CD2 C 114.400 . 1 1185 115 115 HIS CE1 C 137.520 . 1 1186 115 115 HIS N N 119.750 . 1 1187 116 116 PHE H H 8.134 . 1 1188 116 116 PHE HA H 4.252 . 1 1189 116 116 PHE HB2 H 3.496 . 2 1190 116 116 PHE HB3 H 3.127 . 2 1191 116 116 PHE HD1 H 7.270 . 3 1192 116 116 PHE HE1 H 7.006 . 3 1193 116 116 PHE C C 177.340 . 1 1194 116 116 PHE CA C 61.780 . 1 1195 116 116 PHE CB C 40.020 . 1 1196 116 116 PHE CD1 C 132.222 . 3 1197 116 116 PHE CE1 C 130.693 . 3 1198 116 116 PHE N N 118.770 . 1 1199 117 117 VAL H H 7.409 . 1 1200 117 117 VAL HA H 3.794 . 1 1201 117 117 VAL HB H 2.313 . 1 1202 117 117 VAL HG1 H 1.264 . 2 1203 117 117 VAL HG2 H 1.163 . 2 1204 117 117 VAL C C 177.986 . 1 1205 117 117 VAL CA C 65.080 . 1 1206 117 117 VAL CB C 30.820 . 1 1207 117 117 VAL CG1 C 21.042 . 1 1208 117 117 VAL CG2 C 22.754 . 1 1209 117 117 VAL N N 109.400 . 1 1210 118 118 ASN H H 8.246 . 1 1211 118 118 ASN HA H 4.440 . 1 1212 118 118 ASN HB2 H 2.949 . 2 1213 118 118 ASN HB3 H 2.742 . 2 1214 118 118 ASN HD21 H 6.899 . 2 1215 118 118 ASN CA C 57.050 . 1 1216 118 118 ASN CB C 38.960 . 1 1217 118 118 ASN N N 123.283 . 1 1218 118 118 ASN ND2 N 108.629 . 1 1219 119 119 GLU H H 8.084 . 1 1220 119 119 GLU HA H 3.657 . 1 1221 119 119 GLU HB2 H 1.993 . 2 1222 119 119 GLU HB3 H 1.843 . 2 1223 119 119 GLU HG2 H 1.869 . 2 1224 119 119 GLU HG3 H 2.036 . 2 1225 119 119 GLU C C 180.273 . 1 1226 119 119 GLU CA C 60.070 . 1 1227 119 119 GLU CB C 29.160 . 1 1228 119 119 GLU CG C 37.304 . 1 1229 119 119 GLU N N 120.870 . 1 1230 120 120 LEU H H 6.837 . 1 1231 120 120 LEU HA H 3.863 . 1 1232 120 120 LEU HB2 H 1.750 . 2 1233 120 120 LEU HB3 H 0.944 . 2 1234 120 120 LEU HD1 H 0.492 . 2 1235 120 120 LEU HD2 H 0.330 . 2 1236 120 120 LEU HG H 1.254 . 1 1237 120 120 LEU C C 176.704 . 1 1238 120 120 LEU CA C 57.760 . 1 1239 120 120 LEU CB C 42.580 . 1 1240 120 120 LEU CD1 C 23.060 . 1 1241 120 120 LEU CD2 C 26.811 . 1 1242 120 120 LEU CG C 26.672 . 1 1243 120 120 LEU N N 119.050 . 1 1244 121 121 ARG H H 7.549 . 1 1245 121 121 ARG HA H 3.871 . 1 1246 121 121 ARG HB2 H 1.003 . 2 1247 121 121 ARG HB3 H 1.464 . 2 1248 121 121 ARG HD2 H 2.662 . 2 1249 121 121 ARG HD3 H 3.140 . 2 1250 121 121 ARG HG2 H 0.016 . 2 1251 121 121 ARG C C 175.307 . 1 1252 121 121 ARG CA C 59.028 . 1 1253 121 121 ARG CB C 31.030 . 1 1254 121 121 ARG CD C 44.360 . 1 1255 121 121 ARG CG C 29.053 . 1 1256 121 121 ARG N N 115.790 . 1 1257 122 122 TYR H H 8.225 . 1 1258 122 122 TYR HA H 4.675 . 1 1259 122 122 TYR HB2 H 2.909 . 2 1260 122 122 TYR HB3 H 2.675 . 2 1261 122 122 TYR HD1 H 6.841 . 3 1262 122 122 TYR HE1 H 6.699 . 3 1263 122 122 TYR C C 177.450 . 1 1264 122 122 TYR CA C 57.980 . 1 1265 122 122 TYR CB C 40.370 . 1 1266 122 122 TYR CD1 C 133.284 . 3 1267 122 122 TYR CE1 C 118.159 . 3 1268 122 122 TYR N N 111.200 . 1 1269 123 123 GLY H H 7.703 . 1 1270 123 123 GLY HA2 H 3.807 . 2 1271 123 123 GLY HA3 H 4.072 . 2 1272 123 123 GLY C C 172.785 . 1 1273 123 123 GLY CA C 45.822 . 1 1274 123 123 GLY N N 109.180 . 1 1275 124 124 VAL H H 7.127 . 1 1276 124 124 VAL HA H 4.037 . 1 1277 124 124 VAL HB H 1.720 . 1 1278 124 124 VAL HG1 H 0.582 . 2 1279 124 124 VAL HG2 H 0.503 . 2 1280 124 124 VAL C C 173.708 . 1 1281 124 124 VAL CA C 61.320 . 1 1282 124 124 VAL CB C 33.900 . 1 1283 124 124 VAL CG1 C 20.837 . 1 1284 124 124 VAL CG2 C 19.937 . 1 1285 124 124 VAL N N 117.200 . 1 1286 125 125 ALA H H 7.819 . 1 1287 125 125 ALA HA H 4.025 . 1 1288 125 125 ALA HB H 1.115 . 1 1289 125 125 ALA C C 182.629 . 1 1290 125 125 ALA CA C 53.920 . 1 1291 125 125 ALA CB C 20.660 . 1 1292 125 125 ALA N N 132.579 . 1 stop_ save_