data_4305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Assignment of PIN: A Protein Inhibitor of Neuronal Nitric Oxide Synthase ; _BMRB_accession_number 4305 _BMRB_flat_file_name bmr4305.str _Entry_type original _Submission_date 1999-02-05 _Accession_date 1999-02-06 _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 Ohki Shinya . . 2 Tochio Hidehito . . 3 Zhang Qiang . . 4 Li Ming . . 5 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 532 "13C chemical shifts" 248 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-15 original author . stop_ _Original_release_date 2000-12-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Tochio, H., Ohki, S., Zhang, Q., Li, M., and Zhang, M., "Solution Structure of a Protein Inhibitor of Neuronal Nitric Oxide Synthase," Nat. Struct. Biol. 5, 965-969 (1998). ; _Citation_title 'Solution Structure of a Protein Inhibitor of Neuronal Nitric Oxide Synthase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99023194 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohki Shinya . . 2 Tochio Hidehito . . 3 Zhang Qiang . . 4 Li Ming . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_name_full 'Nature Structural Biology' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 965 _Page_last 969 _Year 1998 _Details . save_ ################################## # Molecular system description # ################################## save_PIN _Saveframe_category molecular_system _Mol_system_name 'protein inhibitor of neuronal nitric oxide synthase' _Abbreviation_common PIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PIN $PIN_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PIN_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PIN _Abbreviation_common PIN _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'No disulfide bonds exist in the molecule' ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GSHMCDRKAVIKNADMSEEM QQDSVECATQALEKYNIEKD IAAHIKKEFDKKYNPTWHCI VGRNFGSYVTHETKHFIYFY LGQVAILLFKSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 CYS 6 3 ASP 7 4 ARG 8 5 LYS 9 6 ALA 10 7 VAL 11 8 ILE 12 9 LYS 13 10 ASN 14 11 ALA 15 12 ASP 16 13 MET 17 14 SER 18 15 GLU 19 16 GLU 20 17 MET 21 18 GLN 22 19 GLN 23 20 ASP 24 21 SER 25 22 VAL 26 23 GLU 27 24 CYS 28 25 ALA 29 26 THR 30 27 GLN 31 28 ALA 32 29 LEU 33 30 GLU 34 31 LYS 35 32 TYR 36 33 ASN 37 34 ILE 38 35 GLU 39 36 LYS 40 37 ASP 41 38 ILE 42 39 ALA 43 40 ALA 44 41 HIS 45 42 ILE 46 43 LYS 47 44 LYS 48 45 GLU 49 46 PHE 50 47 ASP 51 48 LYS 52 49 LYS 53 50 TYR 54 51 ASN 55 52 PRO 56 53 THR 57 54 TRP 58 55 HIS 59 56 CYS 60 57 ILE 61 58 VAL 62 59 GLY 63 60 ARG 64 61 ASN 65 62 PHE 66 63 GLY 67 64 SER 68 65 TYR 69 66 VAL 70 67 THR 71 68 HIS 72 69 GLU 73 70 THR 74 71 LYS 75 72 HIS 76 73 PHE 77 74 ILE 78 75 TYR 79 76 PHE 80 77 TYR 81 78 LEU 82 79 GLY 83 80 GLN 84 81 VAL 85 82 ALA 86 83 ILE 87 84 LEU 88 85 LEU 89 86 PHE 90 87 LYS 91 88 SER 92 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1CMI "Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE" 92.39 85 100.00 100.00 1.55e-55 PDB 1F3C "Refined Solution Structure Of 8kda Dynein Light Chain (Dlc8)" 96.74 89 100.00 100.00 2.00e-59 PDB 1F95 "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Bim Peptide Complex" 96.74 89 100.00 100.00 2.00e-59 PDB 1F96 "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Nnos Peptide Complex" 96.74 89 100.00 100.00 2.00e-59 PDB 3ZKE "Structure Of Lc8 In Complex With Nek9 Peptide" 96.74 89 100.00 100.00 2.00e-59 PDB 3ZKF "Structure Of Lc8 In Complex With Nek9 Phosphopeptide" 96.74 89 100.00 100.00 2.00e-59 DBJ BAB22160 "unnamed protein product [Mus musculus]" 96.74 89 100.00 100.00 2.00e-59 DBJ BAB27063 "unnamed protein product [Mus musculus]" 96.74 89 100.00 100.00 2.00e-59 DBJ BAB27117 "unnamed protein product [Mus musculus]" 96.74 89 100.00 100.00 2.00e-59 DBJ BAB28970 "unnamed protein product [Mus musculus]" 96.74 89 100.00 100.00 2.00e-59 DBJ BAB28973 "unnamed protein product [Mus musculus]" 96.74 89 98.88 98.88 1.07e-58 EMBL CAG28600 "DNCL1 [Homo sapiens]" 96.74 89 100.00 100.00 2.00e-59 EMBL CAG46925 "DNCL1 [Homo sapiens]" 96.74 89 100.00 100.00 2.00e-59 EMBL CAH65122 "hypothetical protein RCJMB04_3n18 [Gallus gallus]" 96.74 89 97.75 98.88 6.70e-58 EMBL CAZ64801 "dynein, light chain, LC8-type 1 [Sus scrofa]" 96.74 89 100.00 100.00 2.00e-59 EMBL CAZ64802 "dynein, light chain, LC8-type 1 [Phacochoerus africanus]" 96.74 89 100.00 100.00 2.00e-59 GB AAB04149 "cytoplasmic dynein light chain 1 [Homo sapiens]" 96.74 89 100.00 100.00 2.00e-59 GB AAB38257 "protein inhibitor of neuronal nitric oxide synthase [Rattus norvegicus]" 96.74 89 100.00 100.00 2.00e-59 GB AAC32530 "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" 96.74 89 100.00 100.00 2.00e-59 GB AAC32531 "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" 96.74 89 100.00 100.00 2.00e-59 GB AAD01643 "protein inhibitor of nitric oxide synthase [Mus musculus]" 96.74 89 100.00 100.00 2.00e-59 REF NP_001003901 "dynein light chain 1, cytoplasmic [Bos taurus]" 96.74 89 100.00 100.00 2.00e-59 REF NP_001032583 "dynein light chain 1, cytoplasmic [Homo sapiens]" 96.74 89 100.00 100.00 2.00e-59 REF NP_001032584 "dynein light chain 1, cytoplasmic [Homo sapiens]" 96.74 89 100.00 100.00 2.00e-59 REF NP_001075487 "dynein light chain 1, cytoplasmic [Oryctolagus cuniculus]" 96.74 89 100.00 100.00 2.00e-59 REF NP_001182043 "dynein light chain 1, cytoplasmic [Sus scrofa]" 96.74 89 100.00 100.00 2.00e-59 SP P61273 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1 [Macaca fascicularis]" 96.74 89 100.00 100.00 2.00e-59 SP P61285 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1" 96.74 89 100.00 100.00 2.00e-59 SP P63167 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 96.74 89 100.00 100.00 2.00e-59 SP P63168 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 96.74 89 100.00 100.00 2.00e-59 SP P63169 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 96.74 89 100.00 100.00 2.00e-59 TPG DAA17449 "TPA: dynein light chain 1-like [Bos taurus]" 96.74 89 98.88 100.00 9.95e-59 TPG DAA20577 "TPA: dynein light chain 1, cytoplasmic [Bos taurus]" 96.74 89 100.00 100.00 2.00e-59 TPG DAA23836 "TPA: dynein, light chain, LC8-type 2-like [Bos taurus]" 96.74 89 97.75 98.88 1.11e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PIN_monomer 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $PIN_monomer 'recombinant technology' . . . . . 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 $PIN_monomer 1.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PIN_monomer 1.5 mM [U-15N] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PIN _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 . 4 MET CA C 56.380 . 1 2 . 4 MET CB C 33.230 . 1 3 . 4 MET CE C 17.530 . 1 4 . 4 MET HA H 4.440 . 1 5 . 4 MET HB2 H 2.080 . 2 6 . 4 MET HB3 H 2.010 . 2 7 . 4 MET HE H 2.010 . 1 8 . 4 MET HG2 H 2.580 . 2 9 . 4 MET HG3 H 2.010 . 2 10 . 4 MET H H 8.500 . 1 11 . 4 MET N N 122.370 . 1 12 . 5 CYS CA C 59.000 . 1 13 . 5 CYS CB C 27.720 . 1 14 . 5 CYS HA H 4.460 . 1 15 . 5 CYS HB2 H 2.930 . 1 16 . 5 CYS HB3 H 2.930 . 1 17 . 5 CYS H H 8.430 . 1 18 . 5 CYS N N 120.380 . 1 19 . 6 ASP CA C 55.020 . 1 20 . 6 ASP CB C 41.570 . 1 21 . 6 ASP HA H 4.600 . 1 22 . 6 ASP HB2 H 2.700 . 1 23 . 6 ASP HB3 H 2.700 . 1 24 . 6 ASP H H 8.320 . 1 25 . 6 ASP N N 123.330 . 1 26 . 7 ARG CA C 56.160 . 1 27 . 7 ARG CB C 31.180 . 1 28 . 7 ARG CG C 27.780 . 1 29 . 7 ARG HA H 4.310 . 1 30 . 7 ARG HB2 H 1.840 . 1 31 . 7 ARG HB3 H 1.840 . 1 32 . 7 ARG HD2 H 3.130 . 1 33 . 7 ARG HD3 H 3.130 . 1 34 . 7 ARG HG2 H 1.700 . 2 35 . 7 ARG HG3 H 1.620 . 2 36 . 7 ARG H H 8.150 . 1 37 . 7 ARG N N 121.720 . 1 38 . 8 LYS CA C 56.450 . 1 39 . 8 LYS CB C 33.480 . 1 40 . 8 LYS CD C 29.560 . 1 41 . 8 LYS CG C 25.230 . 1 42 . 8 LYS HA H 4.310 . 1 43 . 8 LYS HB2 H 1.810 . 1 44 . 8 LYS HB3 H 1.810 . 1 45 . 8 LYS HD2 H 1.690 . 2 46 . 8 LYS HD3 H 1.450 . 2 47 . 8 LYS HE2 H 3.000 . 1 48 . 8 LYS HE3 H 3.000 . 1 49 . 8 LYS HG2 H 1.290 . 1 50 . 8 LYS HG3 H 1.290 . 1 51 . 8 LYS H H 8.140 . 1 52 . 8 LYS N N 122.250 . 1 53 . 9 ALA CA C 52.070 . 1 54 . 9 ALA CB C 21.530 . 1 55 . 9 ALA HA H 5.160 . 1 56 . 9 ALA HB H 1.320 . 1 57 . 9 ALA H H 8.460 . 1 58 . 9 ALA N N 126.850 . 1 59 . 10 VAL CA C 62.320 . 1 60 . 10 VAL CB C 34.700 . 1 61 . 10 VAL CG1 C 21.400 . 1 62 . 10 VAL CG2 C 20.700 . 1 63 . 10 VAL HA H 4.240 . 1 64 . 10 VAL HB H 2.060 . 1 65 . 10 VAL HG1 H 0.850 . 1 66 . 10 VAL HG2 H 0.950 . 1 67 . 10 VAL H H 8.910 . 1 68 . 10 VAL N N 123.590 . 1 69 . 11 ILE CA C 62.200 . 1 70 . 11 ILE CB C 37.180 . 1 71 . 11 ILE CD1 C 12.540 . 1 72 . 11 ILE CG1 C 28.300 . 1 73 . 11 ILE CG2 C 18.630 . 1 74 . 11 ILE HA H 4.040 . 1 75 . 11 ILE HB H 1.990 . 1 76 . 11 ILE HD1 H 0.680 . 1 77 . 11 ILE HG12 H 1.470 . 2 78 . 11 ILE HG13 H 1.000 . 2 79 . 11 ILE HG2 H 0.810 . 1 80 . 11 ILE H H 9.120 . 1 81 . 11 ILE N N 129.360 . 1 82 . 12 LYS CA C 56.860 . 1 83 . 12 LYS CB C 33.100 . 1 84 . 12 LYS CD C 28.080 . 1 85 . 12 LYS CG C 24.370 . 1 86 . 12 LYS HA H 4.430 . 1 87 . 12 LYS HB2 H 1.870 . 2 88 . 12 LYS HB3 H 1.660 . 2 89 . 12 LYS HD2 H 1.530 . 1 90 . 12 LYS HD3 H 1.530 . 1 91 . 12 LYS HE2 H 2.780 . 1 92 . 12 LYS HE3 H 2.780 . 1 93 . 12 LYS HG2 H 1.320 . 2 94 . 12 LYS HG3 H 1.340 . 2 95 . 12 LYS H H 8.430 . 1 96 . 12 LYS N N 129.770 . 1 97 . 13 ASN CA C 54.300 . 1 98 . 13 ASN CB C 43.060 . 1 99 . 13 ASN HA H 5.000 . 1 100 . 13 ASN HB2 H 2.990 . 2 101 . 13 ASN HB3 H 2.920 . 2 102 . 13 ASN H H 8.180 . 1 103 . 13 ASN N N 115.440 . 1 104 . 13 ASN ND2 N 111.420 . 1 105 . 13 ASN HD21 H 6.820 . 2 106 . 13 ASN HD22 H 7.590 . 2 107 . 14 ALA CA C 52.490 . 1 108 . 14 ALA CB C 22.770 . 1 109 . 14 ALA HA H 4.840 . 1 110 . 14 ALA HB H 1.370 . 1 111 . 14 ALA H H 8.780 . 1 112 . 14 ALA N N 124.800 . 1 113 . 15 ASP CA C 53.720 . 1 114 . 15 ASP CB C 41.350 . 1 115 . 15 ASP HA H 4.870 . 1 116 . 15 ASP HB2 H 2.850 . 2 117 . 15 ASP HB3 H 2.780 . 2 118 . 15 ASP H H 8.900 . 1 119 . 15 ASP N N 123.230 . 1 120 . 16 MET CA C 56.390 . 1 121 . 16 MET CB C 38.830 . 1 122 . 16 MET CE C 17.870 . 1 123 . 16 MET CG C 34.350 . 1 124 . 16 MET HA H 4.550 . 1 125 . 16 MET HB2 H 1.850 . 2 126 . 16 MET HB3 H 2.190 . 2 127 . 16 MET HE H 2.060 . 1 128 . 16 MET HG2 H 2.910 . 2 129 . 16 MET HG3 H 2.640 . 2 130 . 16 MET H H 7.930 . 1 131 . 16 MET N N 120.600 . 1 132 . 17 SER CA C 58.570 . 1 133 . 17 SER CB C 64.510 . 1 134 . 17 SER HA H 4.490 . 1 135 . 17 SER HB2 H 4.410 . 2 136 . 17 SER HB3 H 4.120 . 2 137 . 17 SER H H 9.280 . 1 138 . 17 SER N N 123.110 . 1 139 . 18 GLU CA C 61.150 . 1 140 . 18 GLU CB C 29.700 . 1 141 . 18 GLU CG C 36.860 . 1 142 . 18 GLU HA H 3.810 . 1 143 . 18 GLU HB2 H 2.080 . 2 144 . 18 GLU HB3 H 2.050 . 2 145 . 18 GLU HG2 H 2.410 . 2 146 . 18 GLU HG3 H 2.360 . 2 147 . 18 GLU H H 9.260 . 1 148 . 18 GLU N N 124.160 . 1 149 . 19 GLU CA C 60.550 . 1 150 . 19 GLU CB C 29.560 . 1 151 . 19 GLU CG C 36.660 . 1 152 . 19 GLU HA H 4.040 . 1 153 . 19 GLU HB2 H 1.990 . 2 154 . 19 GLU HB3 H 2.070 . 2 155 . 19 GLU HG2 H 2.420 . 2 156 . 19 GLU HG3 H 2.340 . 2 157 . 19 GLU H H 9.180 . 1 158 . 19 GLU N N 119.270 . 1 159 . 20 MET CA C 60.030 . 1 160 . 20 MET CB C 33.150 . 1 161 . 20 MET CE C 16.910 . 1 162 . 20 MET CG C 33.710 . 1 163 . 20 MET HA H 3.970 . 1 164 . 20 MET HB2 H 2.060 . 2 165 . 20 MET HB3 H 2.150 . 2 166 . 20 MET HE H 1.680 . 1 167 . 20 MET HG2 H 2.240 . 2 168 . 20 MET HG3 H 2.460 . 2 169 . 20 MET H H 7.610 . 1 170 . 20 MET N N 121.020 . 1 171 . 21 GLN CA C 60.350 . 1 172 . 21 GLN CB C 29.120 . 1 173 . 21 GLN CG C 34.990 . 1 174 . 21 GLN HA H 3.810 . 1 175 . 21 GLN HB2 H 2.090 . 2 176 . 21 GLN HB3 H 1.940 . 2 177 . 21 GLN HG2 H 2.190 . 2 178 . 21 GLN HG3 H 2.410 . 2 179 . 21 GLN H H 8.580 . 1 180 . 21 GLN N N 123.070 . 1 181 . 21 GLN NE2 N 111.170 . 1 182 . 21 GLN HE21 H 6.740 . 2 183 . 21 GLN HE22 H 7.040 . 2 184 . 22 GLN CA C 59.360 . 1 185 . 22 GLN CB C 27.910 . 1 186 . 22 GLN CG C 33.920 . 1 187 . 22 GLN HA H 3.900 . 1 188 . 22 GLN HB2 H 2.150 . 1 189 . 22 GLN HB3 H 2.150 . 1 190 . 22 GLN HG2 H 2.460 . 1 191 . 22 GLN HG3 H 2.460 . 1 192 . 22 GLN H H 7.920 . 1 193 . 22 GLN N N 118.600 . 1 194 . 22 GLN NE2 N 112.980 . 1 195 . 22 GLN HE21 H 6.850 . 2 196 . 22 GLN HE22 H 7.610 . 2 197 . 23 ASP CA C 57.820 . 1 198 . 23 ASP CB C 41.280 . 1 199 . 23 ASP HA H 4.620 . 1 200 . 23 ASP HB2 H 2.890 . 2 201 . 23 ASP HB3 H 2.790 . 2 202 . 23 ASP H H 7.900 . 1 203 . 23 ASP N N 119.990 . 1 204 . 24 SER CA C 63.470 . 1 205 . 24 SER CB C 63.470 . 1 206 . 24 SER HA H 4.000 . 1 207 . 24 SER HB2 H 3.890 . 2 208 . 24 SER HB3 H 3.380 . 2 209 . 24 SER H H 8.490 . 1 210 . 24 SER N N 118.690 . 1 211 . 25 VAL CA C 66.930 . 1 212 . 25 VAL CB C 32.360 . 1 213 . 25 VAL CG1 C 22.150 . 1 214 . 25 VAL CG2 C 21.560 . 1 215 . 25 VAL HA H 3.450 . 1 216 . 25 VAL HB H 1.980 . 1 217 . 25 VAL HG1 H 0.820 . 1 218 . 25 VAL HG2 H 0.360 . 1 219 . 25 VAL H H 7.370 . 1 220 . 25 VAL N N 122.040 . 1 221 . 26 GLU CA C 60.370 . 1 222 . 26 GLU CB C 29.990 . 1 223 . 26 GLU CG C 36.230 . 1 224 . 26 GLU HA H 4.080 . 1 225 . 26 GLU HB2 H 2.190 . 1 226 . 26 GLU HB3 H 2.190 . 1 227 . 26 GLU HG2 H 2.380 . 1 228 . 26 GLU HG3 H 2.380 . 1 229 . 26 GLU H H 8.470 . 1 230 . 26 GLU N N 124.010 . 1 231 . 27 CYS CA C 63.270 . 1 232 . 27 CYS CB C 27.730 . 1 233 . 27 CYS HA H 4.260 . 1 234 . 27 CYS HB2 H 3.430 . 2 235 . 27 CYS HB3 H 2.840 . 2 236 . 27 CYS H H 8.890 . 1 237 . 27 CYS N N 120.530 . 1 238 . 28 ALA CA C 55.600 . 1 239 . 28 ALA CB C 20.500 . 1 240 . 28 ALA HA H 4.040 . 1 241 . 28 ALA HB H 1.630 . 1 242 . 28 ALA H H 8.350 . 1 243 . 28 ALA N N 120.500 . 1 244 . 29 THR CA C 68.100 . 1 245 . 29 THR CB C 68.940 . 1 246 . 29 THR CG2 C 21.520 . 1 247 . 29 THR HA H 3.770 . 1 248 . 29 THR HB H 4.470 . 1 249 . 29 THR HG2 H 1.240 . 1 250 . 29 THR H H 8.390 . 1 251 . 29 THR N N 115.500 . 1 252 . 30 GLN CA C 59.090 . 1 253 . 30 GLN CB C 28.670 . 1 254 . 30 GLN CG C 34.360 . 1 255 . 30 GLN HA H 4.000 . 1 256 . 30 GLN HB2 H 2.300 . 2 257 . 30 GLN HB3 H 2.080 . 2 258 . 30 GLN HG2 H 2.600 . 2 259 . 30 GLN HG3 H 2.380 . 2 260 . 30 GLN H H 7.850 . 1 261 . 30 GLN N N 120.550 . 1 262 . 30 GLN NE2 N 112.920 . 1 263 . 30 GLN HE21 H 6.850 . 1 264 . 30 GLN HE22 H 7.680 . 1 265 . 31 ALA CA C 55.850 . 1 266 . 31 ALA CB C 20.730 . 1 267 . 31 ALA HA H 3.650 . 1 268 . 31 ALA HB H 1.730 . 1 269 . 31 ALA H H 8.280 . 1 270 . 31 ALA N N 122.520 . 1 271 . 32 LEU CA C 57.820 . 1 272 . 32 LEU CB C 42.610 . 1 273 . 32 LEU CD1 C 26.540 . 1 274 . 32 LEU CD2 C 25.580 . 1 275 . 32 LEU HA H 4.230 . 1 276 . 32 LEU HB2 H 1.850 . 2 277 . 32 LEU HB3 H 1.640 . 2 278 . 32 LEU HD1 H 0.910 . 1 279 . 32 LEU HD2 H 0.950 . 1 280 . 32 LEU HG H 1.640 . 1 281 . 32 LEU H H 8.260 . 1 282 . 32 LEU N N 117.620 . 1 283 . 33 GLU CA C 58.040 . 1 284 . 33 GLU CB C 30.460 . 1 285 . 33 GLU CG C 36.660 . 1 286 . 33 GLU HA H 4.110 . 1 287 . 33 GLU HB2 H 2.020 . 2 288 . 33 GLU HB3 H 2.080 . 2 289 . 33 GLU HG2 H 2.240 . 2 290 . 33 GLU HG3 H 2.450 . 2 291 . 33 GLU H H 7.330 . 1 292 . 33 GLU N N 116.580 . 1 293 . 34 LYS CA C 58.000 . 1 294 . 34 LYS CB C 35.540 . 1 295 . 34 LYS CD C 29.630 . 1 296 . 34 LYS CG C 25.300 . 1 297 . 34 LYS HA H 3.940 . 1 298 . 34 LYS HB2 H 1.150 . 2 299 . 34 LYS HB3 H 0.880 . 2 300 . 34 LYS HD2 H 1.250 . 1 301 . 34 LYS HD3 H 1.250 . 1 302 . 34 LYS HE2 H 2.800 . 1 303 . 34 LYS HE3 H 2.800 . 1 304 . 34 LYS HG2 H 1.050 . 2 305 . 34 LYS HG3 H 0.730 . 2 306 . 34 LYS H H 7.200 . 1 307 . 34 LYS N N 118.110 . 1 308 . 35 TYR CA C 57.210 . 1 309 . 35 TYR CB C 42.450 . 1 310 . 35 TYR HA H 4.900 . 1 311 . 35 TYR HB2 H 2.660 . 2 312 . 35 TYR HB3 H 3.230 . 2 313 . 35 TYR HD2 H 7.170 . 1 314 . 35 TYR HD1 H 7.170 . 1 315 . 35 TYR HE2 H 6.690 . 1 316 . 35 TYR HE1 H 6.690 . 1 317 . 35 TYR H H 8.050 . 1 318 . 35 TYR N N 117.430 . 1 319 . 36 ASN CA C 53.370 . 1 320 . 36 ASN CB C 40.950 . 1 321 . 36 ASN HA H 4.910 . 1 322 . 36 ASN HB2 H 2.850 . 2 323 . 36 ASN HB3 H 2.780 . 2 324 . 36 ASN H H 8.410 . 1 325 . 36 ASN N N 114.640 . 1 326 . 36 ASN ND2 N 113.040 . 1 327 . 36 ASN HD21 H 6.830 . 2 328 . 36 ASN HD22 H 7.540 . 2 329 . 37 ILE CA C 60.730 . 1 330 . 37 ILE CB C 39.050 . 1 331 . 37 ILE CD1 C 12.560 . 1 332 . 37 ILE CG1 C 27.900 . 1 333 . 37 ILE CG2 C 19.080 . 1 334 . 37 ILE HA H 4.280 . 1 335 . 37 ILE HB H 2.140 . 1 336 . 37 ILE HD1 H 0.960 . 1 337 . 37 ILE HG12 H 1.650 . 2 338 . 37 ILE HG13 H 1.390 . 2 339 . 37 ILE HG2 H 1.100 . 1 340 . 37 ILE H H 7.820 . 1 341 . 37 ILE N N 121.580 . 1 342 . 38 GLU CA C 62.960 . 1 343 . 38 GLU CB C 29.110 . 1 344 . 38 GLU HA H 3.710 . 1 345 . 38 GLU HB2 H 2.080 . 2 346 . 38 GLU HB3 H 2.140 . 2 347 . 38 GLU HG2 H 2.570 . 2 348 . 38 GLU HG3 H 2.360 . 2 349 . 38 GLU H H 10.310 . 1 350 . 38 GLU N N 130.380 . 1 351 . 39 LYS CA C 60.260 . 1 352 . 39 LYS CB C 32.170 . 1 353 . 39 LYS CG C 24.610 . 1 354 . 39 LYS HA H 3.870 . 1 355 . 39 LYS HB2 H 2.150 . 2 356 . 39 LYS HB3 H 1.760 . 2 357 . 39 LYS HD2 H 1.710 . 1 358 . 39 LYS HD3 H 1.710 . 1 359 . 39 LYS HE2 H 3.080 . 1 360 . 39 LYS HE3 H 3.080 . 1 361 . 39 LYS HG2 H 1.600 . 2 362 . 39 LYS HG3 H 1.490 . 2 363 . 39 LYS H H 8.720 . 1 364 . 39 LYS N N 117.140 . 1 365 . 40 ASP CA C 56.950 . 1 366 . 40 ASP CB C 40.350 . 1 367 . 40 ASP HA H 4.200 . 1 368 . 40 ASP HB2 H 2.660 . 2 369 . 40 ASP HB3 H 1.960 . 2 370 . 40 ASP H H 6.910 . 1 371 . 40 ASP N N 120.640 . 1 372 . 41 ILE CA C 66.000 . 1 373 . 41 ILE CB C 38.920 . 1 374 . 41 ILE CD1 C 14.630 . 1 375 . 41 ILE CG1 C 30.690 . 1 376 . 41 ILE CG2 C 18.800 . 1 377 . 41 ILE HA H 3.450 . 1 378 . 41 ILE HB H 1.860 . 1 379 . 41 ILE HD1 H 0.740 . 1 380 . 41 ILE HG12 H 1.650 . 1 381 . 41 ILE HG13 H 1.650 . 1 382 . 41 ILE HG2 H 0.880 . 1 383 . 41 ILE H H 7.590 . 1 384 . 41 ILE N N 123.220 . 1 385 . 42 ALA CA C 55.140 . 1 386 . 42 ALA CB C 18.210 . 1 387 . 42 ALA HA H 3.960 . 1 388 . 42 ALA HB H 1.270 . 1 389 . 42 ALA H H 8.120 . 1 390 . 42 ALA N N 119.710 . 1 391 . 43 ALA CA C 55.360 . 1 392 . 43 ALA CB C 18.620 . 1 393 . 43 ALA HA H 3.370 . 1 394 . 43 ALA HB H 0.830 . 1 395 . 43 ALA H H 7.860 . 1 396 . 43 ALA N N 119.380 . 1 397 . 44 HIS CA C 60.850 . 1 398 . 44 HIS CB C 31.920 . 1 399 . 44 HIS HA H 3.950 . 1 400 . 44 HIS HB2 H 3.280 . 2 401 . 44 HIS HB3 H 3.120 . 2 402 . 44 HIS HD2 H 6.790 . 1 403 . 44 HIS HE1 H 7.880 . 1 404 . 44 HIS H H 7.400 . 1 405 . 44 HIS N N 116.660 . 1 406 . 45 ILE CA C 65.360 . 1 407 . 45 ILE CB C 38.930 . 1 408 . 45 ILE CD1 C 15.670 . 1 409 . 45 ILE CG1 C 29.200 . 1 410 . 45 ILE CG2 C 19.700 . 1 411 . 45 ILE HA H 3.680 . 1 412 . 45 ILE HB H 1.960 . 1 413 . 45 ILE HD1 H 0.790 . 1 414 . 45 ILE HG12 H 2.070 . 1 415 . 45 ILE HG13 H 2.070 . 1 416 . 45 ILE HG2 H 0.690 . 1 417 . 45 ILE H H 7.480 . 1 418 . 45 ILE N N 117.260 . 1 419 . 46 LYS CA C 61.520 . 1 420 . 46 LYS CB C 36.400 . 1 421 . 46 LYS CG C 27.610 . 1 422 . 46 LYS HA H 3.440 . 1 423 . 46 LYS HB2 H 1.860 . 2 424 . 46 LYS HB3 H 2.140 . 2 425 . 46 LYS HG2 H 1.420 . 2 426 . 46 LYS HG3 H 1.580 . 2 427 . 46 LYS H H 8.160 . 1 428 . 46 LYS N N 118.880 . 1 429 . 47 LYS CA C 60.460 . 1 430 . 47 LYS CB C 32.930 . 1 431 . 47 LYS CG C 26.960 . 1 432 . 47 LYS HA H 3.890 . 1 433 . 47 LYS HB2 H 1.790 . 2 434 . 47 LYS HB3 H 1.710 . 2 435 . 47 LYS HE2 H 2.840 . 1 436 . 47 LYS HE3 H 2.840 . 1 437 . 47 LYS HG2 H 1.400 . 1 438 . 47 LYS HG3 H 1.400 . 1 439 . 47 LYS H H 8.360 . 1 440 . 47 LYS N N 117.750 . 1 441 . 48 GLU CA C 59.200 . 1 442 . 48 GLU CB C 29.950 . 1 443 . 48 GLU CG C 36.660 . 1 444 . 48 GLU HA H 3.900 . 1 445 . 48 GLU HB2 H 1.820 . 2 446 . 48 GLU HB3 H 2.030 . 2 447 . 48 GLU HG2 H 2.380 . 2 448 . 48 GLU HG3 H 2.420 . 2 449 . 48 GLU H H 7.810 . 1 450 . 48 GLU N N 120.140 . 1 451 . 49 PHE CA C 63.930 . 1 452 . 49 PHE CB C 36.050 . 1 453 . 49 PHE HA H 3.660 . 1 454 . 49 PHE HB2 H 2.610 . 2 455 . 49 PHE HB3 H 0.730 . 2 456 . 49 PHE HD2 H 5.840 . 1 457 . 49 PHE HD1 H 5.840 . 1 458 . 49 PHE HE2 H 6.630 . 1 459 . 49 PHE HE1 H 6.630 . 1 460 . 49 PHE H H 8.420 . 1 461 . 49 PHE HZ H 6.980 . 1 462 . 49 PHE N N 123.610 . 1 463 . 50 ASP CA C 57.790 . 1 464 . 50 ASP CB C 40.570 . 1 465 . 50 ASP HA H 4.320 . 1 466 . 50 ASP HB2 H 2.790 . 2 467 . 50 ASP HB3 H 2.540 . 2 468 . 50 ASP H H 8.500 . 1 469 . 50 ASP N N 120.650 . 1 470 . 51 LYS CA C 59.380 . 1 471 . 51 LYS CB C 33.170 . 1 472 . 51 LYS CD C 29.600 . 1 473 . 51 LYS CG C 25.000 . 1 474 . 51 LYS HA H 3.970 . 1 475 . 51 LYS HB2 H 1.800 . 1 476 . 51 LYS HB3 H 1.800 . 1 477 . 51 LYS HD2 H 1.630 . 1 478 . 51 LYS HD3 H 1.630 . 1 479 . 51 LYS HE2 H 2.840 . 1 480 . 51 LYS HE3 H 2.840 . 1 481 . 51 LYS HG2 H 1.460 . 2 482 . 51 LYS HG3 H 1.250 . 2 483 . 51 LYS H H 7.210 . 1 484 . 51 LYS N N 117.850 . 1 485 . 52 LYS CA C 59.400 . 1 486 . 52 LYS CB C 34.460 . 1 487 . 52 LYS CD C 29.570 . 1 488 . 52 LYS CG C 25.300 . 1 489 . 52 LYS HA H 3.760 . 1 490 . 52 LYS HB2 H 1.110 . 2 491 . 52 LYS HB3 H 0.700 . 2 492 . 52 LYS HD2 H 1.190 . 2 493 . 52 LYS HD3 H 1.600 . 2 494 . 52 LYS HE2 H 2.600 . 2 495 . 52 LYS HE3 H 2.540 . 2 496 . 52 LYS HG2 H 0.910 . 2 497 . 52 LYS HG3 H 0.270 . 2 498 . 52 LYS H H 7.990 . 1 499 . 52 LYS N N 118.200 . 1 500 . 53 TYR CA C 58.390 . 1 501 . 53 TYR CB C 40.700 . 1 502 . 53 TYR HA H 4.880 . 1 503 . 53 TYR HB2 H 3.910 . 2 504 . 53 TYR HB3 H 2.780 . 2 505 . 53 TYR HD2 H 6.510 . 1 506 . 53 TYR HD1 H 6.510 . 1 507 . 53 TYR HE2 H 6.220 . 1 508 . 53 TYR HE1 H 6.220 . 1 509 . 53 TYR H H 8.410 . 1 510 . 53 TYR N N 115.610 . 1 511 . 54 ASN CA C 55.770 . 1 512 . 54 ASN CB C 37.000 . 1 513 . 54 ASN HA H 4.910 . 1 514 . 54 ASN HB2 H 3.700 . 2 515 . 54 ASN HB3 H 2.900 . 2 516 . 54 ASN H H 6.930 . 1 517 . 54 ASN N N 113.560 . 1 518 . 54 ASN ND2 N 113.550 . 1 519 . 54 ASN HD21 H 6.970 . 2 520 . 54 ASN HD22 H 7.580 . 2 521 . 55 PRO CA C 60.920 . 1 522 . 55 PRO CB C 32.730 . 1 523 . 55 PRO CD C 50.800 . 1 524 . 55 PRO CG C 28.450 . 1 525 . 55 PRO HA H 5.180 . 1 526 . 55 PRO HB2 H 2.210 . 2 527 . 55 PRO HB3 H 2.030 . 2 528 . 55 PRO HD2 H 3.570 . 2 529 . 55 PRO HD3 H 3.870 . 2 530 . 55 PRO HG2 H 1.890 . 2 531 . 55 PRO HG3 H 2.020 . 2 532 . 56 THR CA C 65.270 . 1 533 . 56 THR CB C 69.950 . 1 534 . 56 THR CG2 C 23.120 . 1 535 . 56 THR HA H 3.750 . 1 536 . 56 THR HB H 3.790 . 1 537 . 56 THR HG2 H 0.930 . 1 538 . 56 THR H H 7.970 . 1 539 . 56 THR N N 121.500 . 1 540 . 57 TRP CA C 56.360 . 1 541 . 57 TRP CB C 30.260 . 1 542 . 57 TRP HA H 4.720 . 1 543 . 57 TRP HB2 H 3.050 . 2 544 . 57 TRP HB3 H 2.340 . 2 545 . 57 TRP HD1 H 8.090 . 2 546 . 57 TRP HE1 H 9.100 . 2 547 . 57 TRP HE3 H 7.240 . 1 548 . 57 TRP HH2 H 7.310 . 1 549 . 57 TRP H H 9.520 . 1 550 . 57 TRP HZ2 H 7.430 . 1 551 . 57 TRP HZ3 H 6.610 . 1 552 . 57 TRP N N 128.290 . 1 553 . 57 TRP NE1 N 130.996 . 1 554 . 58 HIS CA C 55.400 . 1 555 . 58 HIS CB C 34.620 . 1 556 . 58 HIS HA H 4.830 . 1 557 . 58 HIS HB2 H 2.550 . 2 558 . 58 HIS HB3 H 1.740 . 2 559 . 58 HIS HD2 H 7.280 . 2 560 . 58 HIS HE1 H 8.470 . 2 561 . 58 HIS H H 8.530 . 1 562 . 58 HIS N N 118.970 . 1 563 . 59 CYS CA C 57.050 . 1 564 . 59 CYS CB C 31.430 . 1 565 . 59 CYS HA H 5.840 . 1 566 . 59 CYS HB2 H 2.520 . 2 567 . 59 CYS HB3 H 2.860 . 2 568 . 59 CYS H H 8.240 . 1 569 . 59 CYS N N 121.300 . 1 570 . 60 ILE CA C 60.270 . 1 571 . 60 ILE CB C 40.090 . 1 572 . 60 ILE CD1 C 13.740 . 1 573 . 60 ILE CG1 C 29.950 . 1 574 . 60 ILE CG2 C 19.280 . 1 575 . 60 ILE HA H 4.540 . 1 576 . 60 ILE HB H 1.610 . 1 577 . 60 ILE HD1 H 0.740 . 1 578 . 60 ILE HG12 H 1.130 . 2 579 . 60 ILE HG13 H 1.320 . 2 580 . 60 ILE HG2 H -0.210 . 1 581 . 60 ILE H H 9.330 . 1 582 . 60 ILE N N 132.850 . 1 583 . 61 VAL CA C 59.980 . 1 584 . 61 VAL CB C 36.900 . 1 585 . 61 VAL CG1 C 22.540 . 1 586 . 61 VAL CG2 C 21.470 . 1 587 . 61 VAL HA H 5.370 . 1 588 . 61 VAL HB H 1.720 . 1 589 . 61 VAL HG1 H 0.850 . 1 590 . 61 VAL HG2 H 0.780 . 1 591 . 61 VAL H H 8.290 . 1 592 . 61 VAL N N 125.030 . 1 593 . 62 GLY CA C 47.080 . 1 594 . 62 GLY HA2 H 4.900 . 2 595 . 62 GLY HA3 H 4.510 . 2 596 . 62 GLY H H 9.610 . 1 597 . 62 GLY N N 112.860 . 1 598 . 63 ARG CA C 57.520 . 1 599 . 63 ARG CB C 32.380 . 1 600 . 63 ARG HA H 4.830 . 1 601 . 63 ARG HB2 H 2.120 . 2 602 . 63 ARG HB3 H 1.790 . 2 603 . 63 ARG HD2 H 3.230 . 1 604 . 63 ARG HD3 H 3.230 . 1 605 . 63 ARG HG2 H 1.480 . 2 606 . 63 ARG HG3 H 1.590 . 2 607 . 63 ARG H H 8.790 . 1 608 . 63 ARG N N 119.330 . 1 609 . 64 ASN CA C 55.120 . 1 610 . 64 ASN CB C 41.880 . 1 611 . 64 ASN HA H 5.090 . 1 612 . 64 ASN HB2 H 2.940 . 2 613 . 64 ASN HB3 H 2.860 . 2 614 . 64 ASN H H 8.920 . 1 615 . 64 ASN N N 117.080 . 1 616 . 64 ASN ND2 N 113.390 . 1 617 . 64 ASN HD21 H 7.110 . 2 618 . 64 ASN HD22 H 7.860 . 2 619 . 65 PHE CA C 57.930 . 1 620 . 65 PHE CB C 40.420 . 1 621 . 65 PHE HA H 5.290 . 1 622 . 65 PHE HB2 H 3.170 . 2 623 . 65 PHE HB3 H 2.390 . 2 624 . 65 PHE HD2 H 6.650 . 1 625 . 65 PHE HD1 H 6.650 . 1 626 . 65 PHE HE2 H 7.100 . 1 627 . 65 PHE HE1 H 7.100 . 1 628 . 65 PHE H H 7.980 . 1 629 . 65 PHE HZ H 6.890 . 1 630 . 65 PHE N N 119.750 . 1 631 . 66 GLY CA C 44.020 . 1 632 . 66 GLY HA2 H 4.590 . 2 633 . 66 GLY HA3 H 3.380 . 2 634 . 66 GLY H H 9.530 . 1 635 . 66 GLY N N 108.450 . 1 636 . 67 SER CA C 57.610 . 1 637 . 67 SER CB C 68.590 . 1 638 . 67 SER HA H 5.250 . 1 639 . 67 SER HB2 H 3.580 . 1 640 . 67 SER HB3 H 3.580 . 1 641 . 67 SER H H 8.200 . 1 642 . 67 SER N N 112.230 . 1 643 . 68 TYR CA C 61.000 . 1 644 . 68 TYR CB C 39.800 . 1 645 . 68 TYR HA H 5.090 . 1 646 . 68 TYR HB2 H 2.790 . 2 647 . 68 TYR HB3 H 2.950 . 2 648 . 68 TYR H H 8.810 . 1 649 . 68 TYR N N 122.850 . 1 650 . 69 VAL CA C 57.700 . 1 651 . 69 VAL CB C 34.050 . 1 652 . 69 VAL CG1 C 21.250 . 1 653 . 69 VAL CG2 C 17.220 . 1 654 . 69 VAL HA H 5.050 . 1 655 . 69 VAL HB H 2.270 . 1 656 . 69 VAL HG1 H 0.560 . 1 657 . 69 VAL HG2 H -0.110 . 1 658 . 69 VAL H H 7.970 . 1 659 . 69 VAL N N 120.180 . 1 660 . 70 THR CA C 64.800 . 1 661 . 70 THR CB C 70.640 . 1 662 . 70 THR CG2 C 22.440 . 1 663 . 70 THR HA H 4.460 . 1 664 . 70 THR HB H 3.590 . 1 665 . 70 THR HG2 H 1.130 . 1 666 . 70 THR H H 9.170 . 1 667 . 70 THR N N 122.480 . 1 668 . 71 HIS CA C 59.700 . 1 669 . 71 HIS CB C 30.500 . 1 670 . 71 HIS HA H 3.690 . 1 671 . 71 HIS HD2 H 7.280 . 2 672 . 71 HIS HE1 H 8.470 . 2 673 . 71 HIS H H 9.220 . 1 674 . 71 HIS N N 124.290 . 1 675 . 72 GLU CA C 55.500 . 1 676 . 72 GLU CB C 30.000 . 1 677 . 72 GLU HA H 5.140 . 1 678 . 72 GLU HB2 H 2.970 . 1 679 . 72 GLU HB3 H 2.970 . 1 680 . 72 GLU H H 8.200 . 1 681 . 72 GLU N N 116.480 . 1 682 . 73 THR CA C 60.000 . 1 683 . 73 THR CB C 64.050 . 1 684 . 73 THR CG2 C 22.140 . 1 685 . 73 THR HA H 4.710 . 1 686 . 73 THR HB H 4.290 . 1 687 . 73 THR HG2 H 1.330 . 1 688 . 73 THR H H 8.150 . 1 689 . 73 THR N N 121.500 . 1 690 . 74 LYS CA C 61.500 . 1 691 . 74 LYS CB C 39.500 . 1 692 . 74 LYS HA H 4.710 . 1 693 . 74 LYS H H 8.480 . 1 694 . 74 LYS N N 123.800 . 1 695 . 75 HIS CA C 59.600 . 1 696 . 75 HIS CB C 30.500 . 1 697 . 75 HIS HA H 4.400 . 1 698 . 75 HIS HB2 H 2.160 . 2 699 . 75 HIS HB3 H 1.510 . 2 700 . 76 PHE CA C 58.610 . 1 701 . 76 PHE HA H 5.300 . 1 702 . 76 PHE HB2 H 2.980 . 1 703 . 76 PHE HB3 H 2.980 . 1 704 . 76 PHE HD2 H 6.980 . 1 705 . 76 PHE HD1 H 6.980 . 1 706 . 76 PHE HE2 H 6.510 . 1 707 . 76 PHE HE1 H 6.510 . 1 708 . 76 PHE H H 8.140 . 1 709 . 76 PHE HZ H 6.700 . 1 710 . 76 PHE N N 121.800 . 1 711 . 77 ILE CA C 62.400 . 1 712 . 77 ILE CB C 41.100 . 1 713 . 77 ILE CD1 C 14.200 . 1 714 . 77 ILE CG1 C 22.860 . 1 715 . 77 ILE CG2 C 15.900 . 1 716 . 77 ILE HA H 4.420 . 1 717 . 77 ILE HB H 2.280 . 1 718 . 77 ILE HD1 H 0.670 . 1 719 . 77 ILE HG12 H 1.340 . 2 720 . 77 ILE HG13 H 1.680 . 2 721 . 77 ILE HG2 H 1.050 . 1 722 . 77 ILE H H 8.770 . 1 723 . 77 ILE N N 129.600 . 1 724 . 78 TYR CA C 54.820 . 1 725 . 78 TYR CB C 41.440 . 1 726 . 78 TYR HA H 5.980 . 1 727 . 78 TYR HB2 H 3.050 . 2 728 . 78 TYR HB3 H 2.890 . 2 729 . 78 TYR HD2 H 7.170 . 1 730 . 78 TYR HD1 H 7.170 . 1 731 . 78 TYR HE2 H 6.550 . 1 732 . 78 TYR HE1 H 6.550 . 1 733 . 78 TYR H H 8.300 . 1 734 . 78 TYR N N 127.050 . 1 735 . 79 PHE CA C 55.350 . 1 736 . 79 PHE CB C 43.570 . 1 737 . 79 PHE HA H 5.220 . 1 738 . 79 PHE HB2 H 3.030 . 2 739 . 79 PHE HB3 H 2.930 . 2 740 . 79 PHE HD2 H 6.960 . 1 741 . 79 PHE HD1 H 6.960 . 1 742 . 79 PHE HE2 H 6.900 . 1 743 . 79 PHE HE1 H 6.900 . 1 744 . 79 PHE H H 9.300 . 1 745 . 79 PHE HZ H 7.090 . 1 746 . 79 PHE N N 125.330 . 1 747 . 80 TYR CA C 56.350 . 1 748 . 80 TYR CB C 42.040 . 1 749 . 80 TYR HA H 5.320 . 1 750 . 80 TYR HB2 H 3.020 . 2 751 . 80 TYR HB3 H 2.800 . 2 752 . 80 TYR HD2 H 6.790 . 1 753 . 80 TYR HD1 H 6.790 . 1 754 . 80 TYR HE2 H 6.610 . 1 755 . 80 TYR HE1 H 6.610 . 1 756 . 80 TYR H H 9.180 . 1 757 . 80 TYR N N 118.630 . 1 758 . 81 LEU CA C 54.240 . 1 759 . 81 LEU CB C 43.630 . 1 760 . 81 LEU CD1 C 27.080 . 1 761 . 81 LEU CD2 C 25.300 . 1 762 . 81 LEU CG C 27.770 . 1 763 . 81 LEU HA H 4.680 . 1 764 . 81 LEU HB2 H 1.420 . 2 765 . 81 LEU HB3 H 1.530 . 2 766 . 81 LEU HD1 H 0.950 . 1 767 . 81 LEU HD2 H 1.010 . 1 768 . 81 LEU HG H 1.620 . 1 769 . 81 LEU H H 8.810 . 1 770 . 81 LEU N N 122.850 . 1 771 . 82 GLY CA C 47.440 . 1 772 . 82 GLY HA2 H 4.050 . 2 773 . 82 GLY HA3 H 3.690 . 2 774 . 82 GLY H H 8.870 . 1 775 . 82 GLY N N 115.020 . 1 776 . 83 GLN CA C 56.570 . 1 777 . 83 GLN CB C 30.100 . 1 778 . 83 GLN HA H 4.440 . 1 779 . 83 GLN HB2 H 2.460 . 2 780 . 83 GLN HB3 H 1.970 . 2 781 . 83 GLN HG2 H 2.410 . 1 782 . 83 GLN HG3 H 2.410 . 1 783 . 83 GLN H H 8.970 . 1 784 . 83 GLN N N 125.240 . 1 785 . 83 GLN NE2 N 112.280 . 1 786 . 83 GLN HE21 H 6.700 . 1 787 . 83 GLN HE22 H 7.630 . 1 788 . 84 VAL CA C 62.880 . 1 789 . 84 VAL CB C 33.730 . 1 790 . 84 VAL CG1 C 22.010 . 1 791 . 84 VAL CG2 C 21.490 . 1 792 . 84 VAL HA H 3.880 . 1 793 . 84 VAL HB H 2.150 . 1 794 . 84 VAL HG1 H 0.820 . 1 795 . 84 VAL HG2 H 0.940 . 1 796 . 84 VAL H H 7.730 . 1 797 . 84 VAL N N 119.030 . 1 798 . 85 ALA CA C 50.920 . 1 799 . 85 ALA CB C 21.180 . 1 800 . 85 ALA HA H 4.310 . 1 801 . 85 ALA HB H 0.750 . 1 802 . 85 ALA H H 8.380 . 1 803 . 85 ALA N N 129.260 . 1 804 . 86 ILE CA C 61.000 . 1 805 . 86 ILE CB C 40.040 . 1 806 . 86 ILE CD1 C 15.420 . 1 807 . 86 ILE CG1 C 29.340 . 1 808 . 86 ILE CG2 C 20.000 . 1 809 . 86 ILE HA H 4.740 . 1 810 . 86 ILE HB H 0.220 . 1 811 . 86 ILE HD1 H 0.400 . 1 812 . 86 ILE HG12 H 0.730 . 2 813 . 86 ILE HG13 H 1.130 . 2 814 . 86 ILE HG2 H 0.380 . 1 815 . 86 ILE H H 8.860 . 1 816 . 86 ILE N N 120.630 . 1 817 . 87 LEU CA C 53.810 . 1 818 . 87 LEU CB C 46.510 . 1 819 . 87 LEU CD1 C 24.980 . 1 820 . 87 LEU CD2 C 27.200 . 1 821 . 87 LEU HA H 5.340 . 1 822 . 87 LEU HB2 H 1.440 . 2 823 . 87 LEU HB3 H 2.060 . 2 824 . 87 LEU HD1 H 0.800 . 2 825 . 87 LEU HD2 H 0.850 . 2 826 . 87 LEU HG H 1.620 . 1 827 . 87 LEU H H 9.260 . 1 828 . 87 LEU N N 128.520 . 1 829 . 88 LEU CA C 54.350 . 1 830 . 88 LEU CB C 46.890 . 1 831 . 88 LEU CD1 C 23.080 . 1 832 . 88 LEU CD2 C 24.360 . 1 833 . 88 LEU CG C 27.800 . 1 834 . 88 LEU HA H 5.620 . 1 835 . 88 LEU HB2 H 1.070 . 2 836 . 88 LEU HB3 H 1.900 . 2 837 . 88 LEU HD1 H 0.700 . 1 838 . 88 LEU HD2 H -0.440 . 1 839 . 88 LEU HG H 1.400 . 1 840 . 88 LEU H H 8.840 . 1 841 . 88 LEU N N 130.810 . 1 842 . 89 PHE CA C 56.560 . 1 843 . 89 PHE CB C 42.600 . 1 844 . 89 PHE HA H 5.760 . 1 845 . 89 PHE HB2 H 3.440 . 2 846 . 89 PHE HB3 H 3.350 . 2 847 . 89 PHE HD2 H 6.610 . 1 848 . 89 PHE HD1 H 6.610 . 1 849 . 89 PHE HE2 H 6.990 . 1 850 . 89 PHE HE1 H 6.990 . 1 851 . 89 PHE H H 8.820 . 1 852 . 89 PHE N N 121.100 . 1 853 . 90 LYS CA C 54.560 . 1 854 . 90 LYS CB C 36.190 . 1 855 . 90 LYS CG C 24.400 . 1 856 . 90 LYS HA H 4.530 . 1 857 . 90 LYS HB2 H 1.160 . 2 858 . 90 LYS HB3 H -0.080 . 2 859 . 90 LYS HD2 H 0.690 . 1 860 . 90 LYS HD3 H 0.690 . 1 861 . 90 LYS HG2 H 0.280 . 2 862 . 90 LYS HG3 H -0.230 . 2 863 . 90 LYS H H 7.660 . 1 864 . 90 LYS N N 120.790 . 1 865 . 91 SER CA C 59.910 . 1 866 . 91 SER CB C 64.300 . 1 867 . 91 SER HA H 4.650 . 1 868 . 91 SER HB2 H 3.810 . 2 869 . 91 SER HB3 H 4.180 . 2 870 . 91 SER H H 8.960 . 1 871 . 91 SER N N 119.200 . 1 872 . 92 GLY CA C 46.450 . 1 873 . 92 GLY HA2 H 3.830 . 2 874 . 92 GLY HA3 H 3.560 . 2 875 . 92 GLY H H 8.460 . 1 876 . 92 GLY N N 123.430 . 1 stop_ save_