data_5499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area ; _BMRB_accession_number 5499 _BMRB_flat_file_name bmr5499.str _Entry_type original _Submission_date 2002-08-13 _Accession_date 2002-08-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Wei . . 2 Fan Jing-Song . . 3 Jiang Ming . . 4 Shi Ya-Wei . . 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" 472 "13C chemical shifts" 369 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-20 original author . stop_ _Original_release_date 2003-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22287446 _PubMed_ID 12196542 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Wei . . 2 Fan Jing-Song . . 3 Jiang Ming . . 4 Shi Ya-Wei . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 277 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41140 _Page_last 41146 _Year 2002 _Details . loop_ _Keyword 'PDZ domain' 'Glutamate receptor interacting protein 1' 'protein structure' 'protein interaction' stop_ save_ ################################## # Molecular system description # ################################## save_GRIP1 _Saveframe_category molecular_system _Mol_system_name 'AMPA receptor interacting protein' _Abbreviation_common GRIP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AMPA receptor interacting protein' $PDZ7_of_GRIP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PDZ7_of_GRIP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' _Abbreviation_common 'PDZ7 of GRIP1' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; SPTPVELHKVTLYKDSGMED FGFSVADGLLEKGVYVKNIR PAGPGDLGGLKPYDRLLQVN HVRTRDFDCCLVVPLIAESG NKLDLVISRNP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 SER 2 17 PRO 3 18 THR 4 19 PRO 5 20 VAL 6 21 GLU 7 22 LEU 8 23 HIS 9 24 LYS 10 25 VAL 11 26 THR 12 27 LEU 13 28 TYR 14 29 LYS 15 30 ASP 16 31 SER 17 32 GLY 18 33 MET 19 34 GLU 20 35 ASP 21 36 PHE 22 37 GLY 23 38 PHE 24 39 SER 25 40 VAL 26 41 ALA 27 42 ASP 28 43 GLY 29 44 LEU 30 45 LEU 31 46 GLU 32 47 LYS 33 48 GLY 34 49 VAL 35 50 TYR 36 51 VAL 37 52 LYS 38 53 ASN 39 54 ILE 40 55 ARG 41 56 PRO 42 57 ALA 43 58 GLY 44 59 PRO 45 60 GLY 46 61 ASP 47 62 LEU 48 63 GLY 49 64 GLY 50 65 LEU 51 66 LYS 52 67 PRO 53 68 TYR 54 69 ASP 55 70 ARG 56 71 LEU 57 72 LEU 58 73 GLN 59 74 VAL 60 75 ASN 61 76 HIS 62 77 VAL 63 78 ARG 64 79 THR 65 80 ARG 66 81 ASP 67 82 PHE 68 83 ASP 69 84 CYS 70 85 CYS 71 86 LEU 72 87 VAL 73 88 VAL 74 89 PRO 75 90 LEU 76 91 ILE 77 92 ALA 78 93 GLU 79 94 SER 80 95 GLY 81 96 ASN 82 97 LYS 83 98 LEU 84 99 ASP 85 100 LEU 86 101 VAL 87 102 ILE 88 103 SER 89 104 ARG 90 105 ASN 91 106 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1M5Z "The Pdz7 Of Glutamate Receptor Interacting Protein Binds To Its Target Via A Novel Hydrophobic Surface Area" 100.00 91 100.00 100.00 3.49e-58 DBJ BAC26668 "unnamed protein product [Mus musculus]" 100.00 632 97.80 98.90 1.36e-54 EMBL CAB39895 "GRIP1 protein [Homo sapiens]" 100.00 849 98.90 98.90 1.17e-54 GB AAP81257 "glutamate receptor-interacting protein 1 [Mus musculus]" 100.00 631 98.90 100.00 9.01e-56 GB AAQ56581 "glutamate receptor-interacting protein 1 [Mus musculus]" 100.00 631 98.90 100.00 9.01e-56 GB AAR08916 "glutamate receptor interacting protein isoform c4-7 [Rattus norvegicus]" 100.00 696 100.00 100.00 2.07e-55 GB ABB46288 "glutamate receptor interacting protein isoform e4-7 [Rattus norvegicus]" 100.00 711 100.00 100.00 2.56e-55 GB EDL24394 "glutamate receptor interacting protein 1, isoform CRA_b [Mus musculus]" 100.00 684 98.90 100.00 9.50e-56 REF NP_001264224 "glutamate receptor-interacting protein 1 isoform 7 [Mus musculus]" 100.00 632 98.90 100.00 9.11e-56 REF XP_002687693 "PREDICTED: glutamate receptor-interacting protein 1 isoform X3, partial [Bos taurus]" 100.00 597 97.80 97.80 1.53e-53 REF XP_004007495 "PREDICTED: glutamate receptor-interacting protein 1 [Ovis aries]" 100.00 1165 97.80 97.80 1.59e-52 REF XP_004330097 "PREDICTED: glutamate receptor-interacting protein 1-like [Tursiops truncatus]" 81.32 116 100.00 100.00 9.99e-46 REF XP_005962414 "PREDICTED: glutamate receptor-interacting protein 1-like, partial [Pantholops hodgsonii]" 100.00 601 97.80 97.80 1.46e-53 TPG DAA29720 "TPA: glutamate receptor interacting protein 1-like [Bos taurus]" 100.00 597 97.80 97.80 1.53e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ7_of_GRIP1 '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 $PDZ7_of_GRIP1 '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 $PDZ7_of_GRIP1 1.0 mM . D2O 99.9 % . 'potassium phosphate buffer' 100 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ7_of_GRIP1 1 mM '[U-100% 15N]' H2O 90 % . D20 10 % . 'potassium phosphate buffer' 100 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ7_of_GRIP1 1.0 mM '[U-100% 15N;U-100% 13C]' D2O 99.9 % . 'potassium phosphate buffer' 100 mM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ7_of_GRIP1 1.0 mM '[U-100% 15N; U-100% 13C]' H2O 90 % . D2O 10 % . 'potassium phosphate buffer' 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 na temperature 298 1 K 'ionic strength' 100 . mM pressure 1 . atm 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '3D 15N-separated_NOESY' '3D 13C-separated_NOESY' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AMPA receptor interacting protein' _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 SER H H 8.1660 . . 2 . 1 SER N N 117.500 . . 3 . 1 SER CA C 56.9800 . . 4 . 1 SER CB C 64.1800 . . 5 . 1 SER HA H 4.754 . . 6 . 1 SER HB2 H 3.811 . . 7 . 1 SER HB3 H 3.147 . . 8 . 2 PRO CA C 64.0600 . . 9 . 2 PRO CB C 32.9400 . . 10 . 2 PRO C C 177.200 . . 11 . 3 THR H H 8.2700 . . 12 . 3 THR N N 118.300 . . 13 . 3 THR CA C 60.5200 . . 14 . 3 THR CB C 70.3400 . . 15 . 3 THR CG2 C 22.4100 . . 16 . 3 THR HA H 4.5620 . . 17 . 3 THR HB H 4.1300 . . 18 . 3 THR HG2 H 1.2690 . . 19 . 4 PRO CA C 63.8700 . . 20 . 4 PRO CB C 32.7500 . . 21 . 4 PRO C C 176.600 . . 22 . 4 PRO CG C 28.0900 . . 23 . 4 PRO CD C 51.7600 . . 24 . 4 PRO HA H 4.4850 . . 25 . 4 PRO HB2 H 1.9220 . . 26 . 4 PRO HB3 H 2.2830 . . 27 . 4 PRO HG2 H 2.0030 . . 28 . 4 PRO HG3 H 2.0420 . . 29 . 4 PRO HD2 H 3.7080 . . 30 . 4 PRO HD3 H 3.8570 . . 31 . 5 VAL H H 7.9480 . . 32 . 5 VAL N N 117.800 . . 33 . 5 VAL C C 175.800 . . 34 . 5 VAL CA C 62.0100 . . 35 . 5 VAL CB C 34.6100 . . 36 . 5 VAL CG1 C 20.6400 . . 37 . 5 VAL CG2 C 22.1300 . . 38 . 5 VAL HA H 4.4200 . . 39 . 5 VAL HB H 2.0400 . . 40 . 5 VAL HG1 H 0.8940 . . 41 . 5 VAL HG2 H 0.9270 . . 42 . 6 GLU H H 8.8240 . . 43 . 6 GLU N N 123.900 . . 44 . 6 GLU C C 175.400 . . 45 . 6 GLU CA C 55.4900 . . 46 . 6 GLU CB C 33.4100 . . 47 . 6 GLU CG C 36.5100 . . 48 . 6 GLU HA H 4.50 . . 49 . 6 GLU HB2 H 1.9320 . . 50 . 6 GLU HG2 H 2.1220 . . 51 . 6 GLU HG3 H 2.2180 . . 52 . 7 LEU H H 8.2640 . . 53 . 7 LEU N N 124.600 . . 54 . 7 LEU C C 177.400 . . 55 . 7 LEU CA C 54.3700 . . 56 . 7 LEU CB C 44.4900 . . 57 . 7 LEU CG C 28.6200 . . 58 . 7 LEU CD1 C 25.1100 . . 59 . 7 LEU CD2 C 25.6700 . . 60 . 7 LEU HA H 5.2700 . . 61 . 7 LEU HB2 H 1.2380 . . 62 . 7 LEU HB3 H 1.5300 . . 63 . 7 LEU HG H 1.5300 . . 64 . 7 LEU HD1 H 0.6820 . . 65 . 7 LEU HD2 H 0.7560 . . 66 . 8 HIS H H 8.9610 . . 67 . 8 HIS N N 119.300 . . 68 . 8 HIS C C 173.500 . . 69 . 8 HIS CA C 55.4900 . . 70 . 8 HIS CB C 33.6800 . . 71 . 8 HIS HA H 4.7390 . . 72 . 8 HIS HB2 H 2.5850 . . 73 . 8 HIS HB3 H 2.8810 . . 74 . 9 LYS H H 8.8280 . . 75 . 9 LYS N N 125.000 . . 76 . 9 LYS C C 176.200 . . 77 . 9 LYS CA C 56.1600 . . 78 . 9 LYS CB C 33.5000 . . 79 . 9 LYS CG C 25.8800 . . 80 . 9 LYS CD C 29.9200 . . 81 . 9 LYS CE C 42.33 . . 82 . 9 LYS HA H 5.0240 . . 83 . 9 LYS HB2 H 1.7130 . . 84 . 9 LYS HB3 H 1.8310 . . 85 . 9 LYS HD2 H 1.6100 . . 86 . 9 LYS HG2 H 1.2910 . . 87 . 9 LYS HG3 H 1.4300 . . 88 . 9 LYS HE2 H 2.8500 . . 89 . 10 VAL H H 8.7580 . . 90 . 10 VAL N N 124.800 . . 91 . 10 VAL C C 174.200 . . 92 . 10 VAL CA C 61.0800 . . 93 . 10 VAL CB C 36.6600 . . 94 . 10 VAL CG1 C 21.0100 . . 95 . 10 VAL CG2 C 21.9400 . . 96 . 10 VAL HA H 4.5200 . . 97 . 10 VAL HB H 1.7800 . . 98 . 10 VAL HG1 H 0.6440 . . 99 . 10 VAL HG2 H 0.6810 . . 100 . 11 THR H H 8.5920 . . 101 . 11 THR N N 123.800 . . 102 . 11 THR C C 173.300 . . 103 . 11 THR CA C 62.3800 . . 104 . 11 THR CB C 71.8400 . . 105 . 11 THR CG2 C 22.5000 . . 106 . 11 THR HA H 5.1320 . . 107 . 11 THR HB H 3.7040 . . 108 . 11 THR HG2 H 0.8260 . . 109 . 12 LEU H H 9.1220 . . 110 . 12 LEU N N 125.000 . . 111 . 12 LEU C C 175.300 . . 112 . 12 LEU CA C 52.6900 . . 113 . 12 LEU CB C 45.6100 . . 114 . 12 LEU CG C 27.9000 . . 115 . 12 LEU CD1 C 27.9000 . . 116 . 12 LEU CD2 C 24.7400 . . 117 . 12 LEU HA H 4.8560 . . 118 . 12 LEU HB2 H 1.3360 . . 119 . 12 LEU HB3 H 1.6290 . . 120 . 12 LEU HG H 1.4760 . . 121 . 12 LEU HD1 H 0.7690 . . 122 . 12 LEU HD2 H 0.7990 . . 123 . 13 TYR H H 8.2350 . . 124 . 13 TYR N N 118.400 . . 125 . 13 TYR C C 175.400 . . 126 . 13 TYR CA C 57.3500 . . 127 . 13 TYR CB C 42.6300 . . 128 . 13 TYR HA H 5.5420 . . 129 . 13 TYR HB2 H 2.6650 . . 130 . 13 TYR HB3 H 3.1070 . . 131 . 13 TYR HD2 H 7.2030 . . 132 . 13 TYR HE1 H 6.7530 . . 133 . 14 LYS H H 8.7170 . . 134 . 14 LYS N N 120.200 . . 135 . 14 LYS C C 175.100 . . 136 . 14 LYS CA C 55.1100 . . 137 . 14 LYS CB C 36.1000 . . 138 . 14 LYS CG C 23.0600 . . 139 . 14 LYS CD C 29.5800 . . 140 . 14 LYS CE C 42.6300 . . 141 . 14 LYS HA H 4.6310 . . 142 . 14 LYS HB2 H 1.2010 . . 143 . 14 LYS HB3 H 1.6060 . . 144 . 14 LYS HD2 H -0.2430 . . 145 . 14 LYS HD3 H 0.6980 . . 146 . 14 LYS HG2 H 0.7820 . . 147 . 14 LYS HG3 H 0.8470 . . 148 . 14 LYS HE2 H 2.5290 . . 149 . 14 LYS HE3 H 2.3080 . . 150 . 15 ASP H H 7.9720 . . 151 . 15 ASP N N 120.900 . . 152 . 15 ASP C C 177.400 . . 153 . 15 ASP CA C 54.5600 . . 154 . 15 ASP CB C 43.3700 . . 155 . 15 ASP HA H 4.7300 . . 156 . 15 ASP HB2 H 2.6700 . . 157 . 16 SER H H 8.3740 . . 158 . 16 SER N N 115.500 . . 159 . 16 SER C C 175.800 . . 160 . 16 SER CA C 60.3300 . . 161 . 16 SER CB C 64.4600 . . 162 . 16 SER HA H 4.3300 . . 163 . 16 SER HB2 H 3.8710 . . 164 . 16 SER HB3 H 3.9060 . . 165 . 17 GLY H H 8.7670 . . 166 . 17 GLY N N 110.900 . . 167 . 17 GLY C C 174.700 . . 168 . 17 GLY CA C 46.1700 . . 169 . 17 GLY HA2 H 3.8600 . . 170 . 18 MET H H 7.7720 . . 171 . 18 MET N N 119.700 . . 172 . 18 MET C C 176.700 . . 173 . 18 MET CA C 55.8600 . . 174 . 18 MET CB C 33.8700 . . 175 . 18 MET CG C 33.1700 . . 176 . 18 MET HA H 4.4620 . . 177 . 18 MET HB2 H 1.9890 . . 178 . 18 MET HB3 H 2.1220 . . 179 . 18 MET HG2 H 2.6150 . . 180 . 19 GLU H H 8.3840 . . 181 . 19 GLU N N 121.500 . . 182 . 19 GLU C C 175.900 . . 183 . 19 GLU CA C 57.5400 . . 184 . 19 GLU CB C 31.0700 . . 185 . 19 GLU CG C 36.8500 . . 186 . 19 GLU HA H 4.1590 . . 187 . 19 GLU HB2 H 1.9230 . . 188 . 19 GLU HB3 H 2.082 . . 189 . 19 GLU HG2 H 2.239 . . 190 . 20 ASP H H 7.6860 . . 191 . 20 ASP N N 116.600 . . 192 . 20 ASP C C 175.100 . . 193 . 20 ASP CA C 53.0600 . . 194 . 20 ASP CB C 43.3700 . . 195 . 20 ASP HA H 4.5450 . . 196 . 20 ASP HB2 H 2.6660 . . 197 . 20 ASP HB3 H 3.1820 . . 198 . 21 PHE H H 8.6070 . . 199 . 21 PHE N N 112.900 . . 200 . 21 PHE C C 177.500 . . 201 . 21 PHE CA C 59.9600 . . 202 . 21 PHE CB C 40.5800 . . 203 . 21 PHE HA H 4.4230 . . 204 . 21 PHE HB2 H 2.7070 . . 205 . 21 PHE HB3 H 3.5700 . . 206 . 21 PHE HD2 H 7.0510 . . 207 . 21 PHE HE1 H 7.1640 . . 208 . 22 GLY H H 9.2350 . . 209 . 22 GLY N N 109.100 . . 210 . 22 GLY C C 176.300 . . 211 . 22 GLY CA C 48.7800 . . 212 . 22 GLY HA2 H 3.7000 . . 213 . 23 PHE H H 7.4270 . . 214 . 23 PHE N N 115.400 . . 215 . 23 PHE C C 172.600 . . 216 . 23 PHE CA C 57.1600 . . 217 . 23 PHE CB C 41.7000 . . 218 . 23 PHE HA H 5.4100 . . 219 . 23 PHE HB2 H 3.0070 . . 220 . 23 PHE HB3 H 3.1590 . . 221 . 23 PHE HD2 H 6.9430 . . 222 . 23 PHE HE1 H 6.8120 . . 223 . 23 PHE HZ H 6.7570 . . 224 . 24 SER H H 8.8460 . . 225 . 24 SER N N 117.400 . . 226 . 24 SER C C 174.300 . . 227 . 24 SER CA C 56.2300 . . 228 . 24 SER CB C 66.8600 . . 229 . 24 SER HA H 4.9100 . . 230 . 24 SER HB2 H 3.8930 . . 231 . 24 SER HB3 H 3.9490 . . 232 . 25 VAL H H 8.4350 . . 233 . 25 VAL N N 113.800 . . 234 . 25 VAL C C 175.000 . . 235 . 25 VAL CA C 59.4000 . . 236 . 25 VAL CB C 36.4600 . . 237 . 25 VAL CG1 C 19.6200 . . 238 . 25 VAL CG2 C 24.0800 . . 239 . 25 VAL HA H 5.5070 . . 240 . 25 VAL HB H 2.1030 . . 241 . 25 VAL HG1 H 0.7660 . . 242 . 25 VAL HG2 H 0.8540 . . 243 . 26 ALA H H 9.1070 . . 244 . 26 ALA N N 123.900 . . 245 . 26 ALA C C 176.300 . . 246 . 26 ALA CA C 51.7600 . . 247 . 26 ALA CB C 23.9900 . . 248 . 26 ALA HA H 4.7700 . . 249 . 26 ALA HB H 1.3140 . . 250 . 27 ASP H H 8.4890 . . 251 . 27 ASP N N 121.000 . . 252 . 27 ASP C C 178.800 . . 253 . 27 ASP CA C 55.3000 . . 254 . 27 ASP CB C 43.3700 . . 255 . 27 ASP HA H 5.4600 . . 256 . 27 ASP HB2 H 2.6060 . . 257 . 27 ASP HB3 H 2.9700 . . 258 . 28 GLY H H 8.9370 . . 259 . 28 GLY N N 109.000 . . 260 . 28 GLY C C 174.500 . . 261 . 28 GLY CA C 46.7300 . . 262 . 28 GLY HA2 H 3.9530 . . 263 . 28 GLY HA3 H 4.2210 . . 264 . 29 LEU H H 8.2900 . . 265 . 29 LEU N N 123.300 . . 266 . 29 LEU C C 178.000 . . 267 . 29 LEU CA C 56.9800 . . 268 . 29 LEU CB C 43.0000 . . 269 . 29 LEU CD1 C 24.3600 . . 270 . 29 LEU CD2 C 25.2900 . . 271 . 29 LEU HA H 4.3750 . . 272 . 29 LEU HB2 H 1.5590 . . 273 . 29 LEU HB3 H 1.6200 . . 274 . 29 LEU HD1 H 0.8610 . . 275 . 29 LEU HD2 H 0.8910 . . 276 . 30 LEU H H 8.2340 . . 277 . 30 LEU N N 119.500 . . 278 . 30 LEU C C 177.100 . . 279 . 30 LEU CA C 56.4200 . . 280 . 30 LEU CB C 43.0000 . . 281 . 30 LEU CG C 27.9600 . . 282 . 30 LEU CD1 C 23.8000 . . 283 . 30 LEU CD2 C 25.8500 . . 284 . 30 LEU HA H 4.3050 . . 285 . 30 LEU HB2 H 1.600 . . 286 . 30 LEU HB3 H 1.6940 . . 287 . 30 LEU HG H 1.5440 . . 288 . 30 LEU HD1 H 0.8460 . . 289 . 30 LEU HD2 H 0.8900 . . 290 . 31 GLU H H 7.6230 . . 291 . 31 GLU N N 118.200 . . 292 . 31 GLU C C 175.500 . . 293 . 31 GLU CA C 55.4900 . . 294 . 31 GLU CB C 32.3800 . . 295 . 31 GLU CG C 36.4800 . . 296 . 31 GLU HA H 4.4480 . . 297 . 31 GLU HB2 H 1.9140 . . 298 . 31 GLU HB3 H 2.0920 . . 299 . 31 GLU HG2 H 2.2470 . . 300 . 32 LYS H H 8.2710 . . 301 . 32 LYS N N 121.200 . . 302 . 32 LYS C C 176.900 . . 303 . 32 LYS CA C 57.1600 . . 304 . 32 LYS CB C 33.6800 . . 305 . 32 LYS CG C 25.7000 . . 306 . 32 LYS CD C 29.3900 . . 307 . 32 LYS CE C 42.6300 . . 308 . 32 LYS HA H 4.3940 . . 309 . 32 LYS HB2 H 1.8420 . . 310 . 32 LYS HG2 H 1.5020 . . 311 . 32 LYS HG3 H 1.5550 . . 312 . 32 LYS HD2 H 1.7310 . . 313 . 32 LYS HE2 H 3.0220 . . 314 . 33 GLY H H 8.4940 . . 315 . 33 GLY N N 111.200 . . 316 . 33 GLY C C 172.800 . . 317 . 33 GLY CA C 45.0500 . . 318 . 33 GLY HA2 H 4.0950 . . 319 . 33 GLY HA3 H 4.3530 . . 320 . 34 VAL H H 8.4120 . . 321 . 34 VAL N N 119.100 . . 322 . 34 VAL C C 174.600 . . 323 . 34 VAL CA C 62.0100 . . 324 . 34 VAL CB C 34.4300 . . 325 . 34 VAL CG1 C 22.1300 . . 326 . 34 VAL CG2 C 23.4300 . . 327 . 34 VAL HA H 4.7850 . . 328 . 34 VAL HB H 1.8340 . . 329 . 34 VAL HG1 H 0.9560 . . 330 . 34 VAL HG2 H 0.9430 . . 331 . 35 TYR H H 8.9790 . . 332 . 35 TYR N N 124.300 . . 333 . 35 TYR C C 176.000 . . 334 . 35 TYR CA C 56.2300 . . 335 . 35 TYR CB C 43.5000 . . 336 . 35 TYR HA H 5.4330 . . 337 . 35 TYR HB2 H 2.6000 . . 338 . 35 TYR HD2 H 7.0590 . . 339 . 35 TYR HE1 H 6.6440 . . 340 . 36 VAL H H 9.067 . . 341 . 36 VAL N N 121.200 . . 342 . 36 VAL C C 176.000 . . 343 . 36 VAL CA C 64.0600 . . 344 . 36 VAL CB C 32.9800 . . 345 . 36 VAL CG1 C 23.2400 . . 346 . 36 VAL CG2 C 23.4300 . . 347 . 36 VAL HA H 4.1780 . . 348 . 36 VAL HB H 2.1520 . . 349 . 36 VAL HG1 H 0.7140 . . 350 . 36 VAL HG2 H 0.7940 . . 351 . 37 LYS H H 9.0320 . . 352 . 37 LYS N N 131.000 . . 353 . 37 LYS C C 174.500 . . 354 . 37 LYS CA C 56.6100 . . 355 . 37 LYS CB C 34.6100 . . 356 . 37 LYS CG C 24.02 . . 357 . 37 LYS CD C 25.02 . . 358 . 37 LYS CE C 42.4270 . . 359 . 37 LYS HA H 4.3590 . . 360 . 37 LYS HB2 H 1.4080 . . 361 . 37 LYS HB3 H 1.6910 . . 362 . 37 LYS HG2 H 1.3060 . . 363 . 37 LYS HD2 H 1.2110 . . 364 . 37 LYS HE2 H 2.909 . . 365 . 38 ASN H H 7.7920 . . 366 . 38 ASN N N 115.400 . . 367 . 38 ASN C C 174.000 . . 368 . 38 ASN CA C 53.0600 . . 369 . 38 ASN CB C 40.7600 . . 370 . 38 ASN HA H 4.6710 . . 371 . 38 ASN HB2 H 2.6400 . . 372 . 38 ASN HB3 H 2.7440 . . 373 . 39 ILE H H 8.5290 . . 374 . 39 ILE N N 120.900 . . 375 . 39 ILE C C 176.100 . . 376 . 39 ILE CA C 60.3300 . . 377 . 39 ILE CB C 40.7600 . . 378 . 39 ILE CG1 C 28.4600 . . 379 . 39 ILE CG2 C 18.7700 . . 380 . 39 ILE CD1 C 13.9300 . . 381 . 39 ILE HA H 4.4660 . . 382 . 39 ILE HB H 1.6440 . . 383 . 39 ILE HG12 H 0.686 . . 384 . 39 ILE HG13 H 1.2780 . . 385 . 39 ILE HG2 H 0.7340 . . 386 . 39 ILE HD1 H 0.4630 . . 387 . 40 ARG H H 8.2250 . . 388 . 40 ARG N N 131.100 . . 389 . 40 ARG CA C 54.7400 . . 390 . 40 ARG CB C 31.6300 . . 391 . 40 ARG CG C 27.600 . . 392 . 40 ARG CD C 44.090 . . 393 . 40 ARG HA H 4.6310 . . 394 . 40 ARG HB2 H 1.7950 . . 395 . 40 ARG HG2 H 1.6250 . . 396 . 40 ARG HG3 H 1.6540 . . 397 . 40 ARG HD2 H 3.2760 . . 398 . 40 ARG HD3 H 3.3300 . . 399 . 41 PRO CA C 64.9900 . . 400 . 41 PRO CB C 32.1900 . . 401 . 41 PRO C C 177.700 . . 402 . 41 PRO CG C 28.4600 . . 403 . 41 PRO CD C 52.3200 . . 404 . 41 PRO HA H 4.3050 . . 405 . 41 PRO HB2 H 1.9310 . . 406 . 41 PRO HB3 H 2.3370 . . 407 . 41 PRO HG2 H 2.0080 . . 408 . 41 PRO HG3 H 2.1650 . . 409 . 41 PRO HD2 H 3.6720 . . 410 . 41 PRO HD3 H 4.2370 . . 411 . 42 ALA H H 10.8100 . . 412 . 42 ALA N N 125.700 . . 413 . 42 ALA C C 176.800 . . 414 . 42 ALA CA C 54.3400 . . 415 . 42 ALA CB C 18.0300 . . 416 . 42 ALA HA H 3.8900 . . 417 . 42 ALA HB H 1.6100 . . 418 . 43 GLY H H 7.9420 . . 419 . 43 GLY N N 106.100 . . 420 . 43 GLY CA C 45.9800 . . 421 . 43 GLY HA2 H 3.7740 . . 422 . 43 GLY HA3 H 4.6680 . . 423 . 44 PRO CA C 66.8600 . . 424 . 44 PRO CB C 32.7500 . . 425 . 44 PRO C C 180.100 . . 426 . 44 PRO CG C 29.8100 . . 427 . 44 PRO CD C 50.0800 . . 428 . 44 PRO HA H 4.4160 . . 429 . 44 PRO HB2 H 2.3610 . . 430 . 44 PRO HB3 H 2.9640 . . 431 . 44 PRO HG2 H 2.3030 . . 432 . 44 PRO HG3 H 2.3450 . . 433 . 44 PRO HD2 H 3.2400 . . 434 . 44 PRO HD3 H 3.9900 . . 435 . 45 GLY H H 8.2150 . . 436 . 45 GLY N N 106.000 . . 437 . 45 GLY C C 173.400 . . 438 . 45 GLY CA C 48.4000 . . 439 . 45 GLY HA2 H 3.3740 . . 440 . 45 GLY HA3 H 3.8270 . . 441 . 46 ASP H H 8.6250 . . 442 . 46 ASP N N 124.200 . . 443 . 46 ASP C C 180.600 . . 444 . 46 ASP CA C 57.3500 . . 445 . 46 ASP CB C 43.0000 . . 446 . 46 ASP HA H 4.3320 . . 447 . 46 ASP HB2 H 2.8470 . . 448 . 46 ASP HB3 H 2.8990 . . 449 . 47 LEU H H 8.5950 . . 450 . 47 LEU N N 119.000 . . 451 . 47 LEU C C 179.900 . . 452 . 47 LEU CA C 58.1000 . . 453 . 47 LEU CB C 41.8800 . . 454 . 47 LEU CG C 27.9000 . . 455 . 47 LEU CD1 C 23.0600 . . 456 . 47 LEU CD2 C 25.8500 . . 457 . 47 LEU HA H 4.0450 . . 458 . 47 LEU HB2 H 1.5790 . . 459 . 47 LEU HB3 H 1.7980 . . 460 . 47 LEU HG H 1.7100 . . 461 . 47 LEU HD1 H 0.8670 . . 462 . 47 LEU HD2 H 0.8670 . . 463 . 48 GLY H H 8.088 . . 464 . 48 GLY N N 104.900 . . 465 . 48 GLY C C 174.200 . . 466 . 48 GLY CA C 45.6100 . . 467 . 48 GLY HA2 H 3.5000 . . 468 . 48 GLY HA3 H 4.3500 . . 469 . 49 GLY H H 7.5870 . . 470 . 49 GLY N N 105.900 . . 471 . 49 GLY C C 175.600 . . 472 . 49 GLY CA C 45.9800 . . 473 . 49 GLY HA2 H 3.8300 . . 474 . 49 GLY HA3 H 4.2200 . . 475 . 50 LEU H H 7.8070 . . 476 . 50 LEU N N 119.700 . . 477 . 50 LEU C C 175.500 . . 478 . 50 LEU CA C 55.4900 . . 479 . 50 LEU CB C 44.4900 . . 480 . 50 LEU CG C 26.9700 . . 481 . 50 LEU CD1 C 25.8500 . . 482 . 50 LEU CD2 C 24.1800 . . 483 . 50 LEU HA H 3.9700 . . 484 . 50 LEU HB2 H 1.0170 . . 485 . 50 LEU HB3 H 1.1560 . . 486 . 50 LEU HG H 1.3500 . . 487 . 50 LEU HD1 H 0.0670 . . 488 . 50 LEU HD2 H 0.2890 . . 489 . 51 LYS H H 8.6830 . . 490 . 51 LYS N N 122.300 . . 491 . 51 LYS CA C 53.4400 . . 492 . 51 LYS CB C 34.4300 . . 493 . 51 LYS CG C 25.3200 . . 494 . 51 LYS CD C 29.2100 . . 495 . 51 LYS CE C 42.8100 . . 496 . 51 LYS HA H 4.6040 . . 497 . 51 LYS HB2 H 1.6200 . . 498 . 51 LYS HG2 H 1.2400 . . 499 . 51 LYS HG3 H 1.2850 . . 500 . 51 LYS HD2 H 1.4800 . . 501 . 51 LYS HD3 H 1.6140 . . 502 . 51 LYS HE2 H 2.8000 . . 503 . 51 LYS HE3 H 2.9100 . . 504 . 52 PRO CA C 64.4300 . . 505 . 52 PRO CB C 32.0000 . . 506 . 52 PRO C C 178.200 . . 507 . 52 PRO CD C 51.3900 . . 508 . 52 PRO CG C 29.0200 . . 509 . 52 PRO HA H 3.7230 . . 510 . 52 PRO HB2 H 1.7110 . . 511 . 52 PRO HB3 H 2.1250 . . 512 . 52 PRO HG2 H 1.8170 . . 513 . 52 PRO HG3 H 2.1500 . . 514 . 52 PRO HD2 H 3.4930 . . 515 . 52 PRO HD3 H 3.6910 . . 516 . 53 TYR H H 9.2410 . . 517 . 53 TYR N N 118.900 . . 518 . 53 TYR C C 175.100 . . 519 . 53 TYR CA C 62.2000 . . 520 . 53 TYR CB C 36.3200 . . 521 . 53 TYR HA H 3.9550 . . 522 . 53 TYR HB2 H 3.3880 . . 523 . 53 TYR HD2 H 6.9640 . . 524 . 53 TYR HE1 H 6.7460 . . 525 . 54 ASP H H 7.8290 . . 526 . 54 ASP N N 122.900 . . 527 . 54 ASP C C 176.100 . . 528 . 54 ASP CA C 56.6100 . . 529 . 54 ASP CB C 41.8800 . . 530 . 54 ASP HA H 4.8020 . . 531 . 54 ASP HB2 H 2.2350 . . 532 . 54 ASP HB3 H 2.5780 . . 533 . 55 ARG H H 9.2400 . . 534 . 55 ARG N N 124.400 . . 535 . 55 ARG C C 177.200 . . 536 . 55 ARG CA C 55.3000 . . 537 . 55 ARG CB C 32.4600 . . 538 . 55 ARG CG C 27.9000 . . 539 . 55 ARG CD C 44.6800 . . 540 . 55 ARG HA H 4.5260 . . 541 . 55 ARG HB2 H 1.6530 . . 542 . 55 ARG HB3 H 2.1300 . . 543 . 55 ARG HG2 H 0.9220 . . 544 . 55 ARG HG3 H 1.0780 . . 545 . 55 ARG HD2 H 2.8590 . . 546 . 55 ARG HD3 H 3.1320 . . 547 . 56 LEU H H 8.5380 . . 548 . 56 LEU N N 125.000 . . 549 . 56 LEU C C 176.800 . . 550 . 56 LEU CA C 56.4200 . . 551 . 56 LEU CB C 41.5900 . . 552 . 56 LEU CG C 29.2100 . . 553 . 56 LEU CD1 C 26.2300 . . 554 . 56 LEU CD2 C 26.4100 . . 555 . 56 LEU HA H 4.2460 . . 556 . 56 LEU HB2 H 1.0710 . . 557 . 56 LEU HB3 H 1.5050 . . 558 . 56 LEU HG H 1.4550 . . 559 . 56 LEU HD1 H 0.6220 . . 560 . 56 LEU HD2 H 0.7260 . . 561 . 57 LEU H H 9.0330 . . 562 . 57 LEU N N 128.900 . . 563 . 57 LEU C C 178.400 . . 564 . 57 LEU CA C 56.0500 . . 565 . 57 LEU CB C 43.5600 . . 566 . 57 LEU CG C 27.5300 . . 567 . 57 LEU CD1 C 22.6100 . . 568 . 57 LEU CD2 C 26.7900 . . 569 . 57 LEU HA H 4.1130 . . 570 . 57 LEU HB2 H 1.4030 . . 571 . 57 LEU HG H 1.5280 . . 572 . 57 LEU HD1 H 0.6720 . . 573 . 57 LEU HD2 H 0.7620 . . 574 . 58 GLN H H 7.8700 . . 575 . 58 GLN N N 121.300 . . 576 . 58 GLN C C 174.500 . . 577 . 58 GLN CA C 56.4200 . . 578 . 58 GLN CB C 34.8000 . . 579 . 58 GLN CG C 33.8700 . . 580 . 58 GLN HA H 4.965 . . 581 . 58 GLN HB2 H 1.850 . . 582 . 58 GLN HB3 H 2.078 . . 583 . 58 GLN HG2 H 1.754 . . 584 . 59 VAL H H 8.4800 . . 585 . 59 VAL N N 124.300 . . 586 . 59 VAL C C 175.200 . . 587 . 59 VAL CA C 61.8200 . . 588 . 59 VAL CB C 34.2000 . . 589 . 59 VAL CG1 C 22.3100 . . 590 . 59 VAL CG2 C 21.7500 . . 591 . 59 VAL HA H 4.2520 . . 592 . 59 VAL HB H 1.8160 . . 593 . 59 VAL HG1 H 0.6860 . . 594 . 59 VAL HG2 H 0.7530 . . 595 . 60 ASN H H 9.6930 . . 596 . 60 ASN N N 126.600 . . 597 . 60 ASN C C 176.600 . . 598 . 60 ASN CA C 55.8600 . . 599 . 60 ASN CB C 37.2200 . . 600 . 60 ASN HA H 4.276 . . 601 . 60 ASN HB2 H 2.9550 . . 602 . 61 HIS H H 7.8220 . . 603 . 61 HIS N N 119.800 . . 604 . 61 HIS C C 174.600 . . 605 . 61 HIS CA C 57.9100 . . 606 . 61 HIS CB C 29.0200 . . 607 . 61 HIS HA H 4.3220 . . 608 . 61 HIS HB2 H 3.3230 . . 609 . 61 HIS HB3 H 3.3890 . . 610 . 62 VAL H H 8.2440 . . 611 . 62 VAL N N 124.200 . . 612 . 62 VAL C C 175.900 . . 613 . 62 VAL CA C 62.9400 . . 614 . 62 VAL CB C 33.5000 . . 615 . 62 VAL CG1 C 22.3100 . . 616 . 62 VAL CG2 C 22.1300 . . 617 . 62 VAL HA H 3.9810 . . 618 . 62 VAL HB H 2.1210 . . 619 . 62 VAL HG1 H 0.8150 . . 620 . 62 VAL HG2 H 0.8980 . . 621 . 63 ARG H H 8.6800 . . 622 . 63 ARG N N 128.300 . . 623 . 63 ARG C C 177.300 . . 624 . 63 ARG CA C 57.9100 . . 625 . 63 ARG CB C 30.3300 . . 626 . 63 ARG CG C 28.6500 . . 627 . 63 ARG CD C 43.7500 . . 628 . 63 ARG HA H 4.2770 . . 629 . 63 ARG HB2 H 1.7730 . . 630 . 63 ARG HB3 H 1.9410 . . 631 . 63 ARG HG2 H 1.5780 . . 632 . 63 ARG HG3 H 1.7640 . . 633 . 63 ARG HD2 H 3.1770 . . 634 . 64 THR H H 7.9840 . . 635 . 64 THR N N 115.200 . . 636 . 64 THR C C 176.300 . . 637 . 64 THR CA C 62.0100 . . 638 . 64 THR CB C 69.2800 . . 639 . 64 THR CG2 C 21.3300 . . 640 . 64 THR HA H 3.3800 . . 641 . 64 THR HB H 4.1700 . . 642 . 64 THR HG2 H 0.6270 . . 643 . 65 ARG H H 7.3070 . . 644 . 65 ARG N N 125.000 . . 645 . 65 ARG C C 176.600 . . 646 . 65 ARG CA C 61.0800 . . 647 . 65 ARG CB C 31.4400 . . 648 . 65 ARG CG C 27.5100 . . 649 . 65 ARG CD C 43.5300 . . 650 . 65 ARG HA H 3.8440 . . 651 . 65 ARG HB2 H 1.6660 . . 652 . 65 ARG HB3 H 1.9060 . . 653 . 65 ARG HG2 H 1.4480 . . 654 . 65 ARG HG3 H 1.5250 . . 655 . 65 ARG HD2 H 3.1440 . . 656 . 66 ASP H H 8.4180 . . 657 . 66 ASP N N 115.200 . . 658 . 66 ASP C C 175.900 . . 659 . 66 ASP CA C 54.0000 . . 660 . 66 ASP CB C 41.5100 . . 661 . 66 ASP HA H 4.9610 . . 662 . 66 ASP HB2 H 2.5000 . . 663 . 66 ASP HB3 H 2.9720 . . 664 . 67 PHE H H 7.3560 . . 665 . 67 PHE N N 121.500 . . 666 . 67 PHE C C 174.200 . . 667 . 67 PHE CA C 56.0500 . . 668 . 67 PHE CB C 40.0200 . . 669 . 67 PHE HA H 4.7400 . . 670 . 67 PHE HB2 H 3.2020 . . 671 . 67 PHE HB3 H 3.3600 . . 672 . 67 PHE HD2 H 6.9490 . . 673 . 67 PHE HE1 H 7.2810 . . 674 . 67 PHE HZ H 7.2580 . . 675 . 68 ASP H H 7.0790 . . 676 . 68 ASP N N 115.600 . . 677 . 68 ASP C C 178.600 . . 678 . 68 ASP CA C 52.6900 . . 679 . 68 ASP CB C 44.1200 . . 680 . 68 ASP HA H 4.9930 . . 681 . 68 ASP HB2 H 2.8490 . . 682 . 68 ASP HB3 H 3.1750 . . 683 . 69 CYS H H 10.5200 . . 684 . 69 CYS N N 122.300 . . 685 . 69 CYS C C 176.900 . . 686 . 69 CYS CA C 65.7400 . . 687 . 69 CYS CB C 27.5300 . . 688 . 69 CYS HA H 3.9450 . . 689 . 69 CYS HB2 H 2.8010 . . 690 . 69 CYS HB3 H 3.0330 . . 691 . 70 CYS H H 8.3480 . . 692 . 70 CYS N N 117.400 . . 693 . 70 CYS C C 176.600 . . 694 . 70 CYS CA C 62.0100 . . 695 . 70 CYS CB C 26.7900 . . 696 . 70 CYS HA H 4.1720 . . 697 . 70 CYS HB2 H 2.9600 . . 698 . 70 CYS HB3 H 3.0630 . . 699 . 71 LEU H H 7.4590 . . 700 . 71 LEU N N 118.200 . . 701 . 71 LEU C C 179.000 . . 702 . 71 LEU CA C 56.4200 . . 703 . 71 LEU CB C 44.3000 . . 704 . 71 LEU CG C 27.3400 . . 705 . 71 LEU CD1 C 25.8500 . . 706 . 71 LEU CD2 C 22.8700 . . 707 . 71 LEU HA H 4.3360 . . 708 . 71 LEU HB2 H 1.1420 . . 709 . 71 LEU HB3 H 1.5600 . . 710 . 71 LEU HG H 1.5910 . . 711 . 71 LEU HD1 H 0.3300 . . 712 . 71 LEU HD2 H 0.5620 . . 713 . 72 VAL H H 7.9580 . . 714 . 72 VAL N N 119.100 . . 715 . 72 VAL C C 176.900 . . 716 . 72 VAL CA C 66.1100 . . 717 . 72 VAL CB C 33.5000 . . 718 . 72 VAL CG1 C 23.2400 . . 719 . 72 VAL CG2 C 25.8500 . . 720 . 72 VAL HA H 4.0550 . . 721 . 72 VAL HB H 2.0960 . . 722 . 72 VAL HG1 H 1.0300 . . 723 . 72 VAL HG2 H 1.2230 . . 724 . 73 VAL H H 8.3240 . . 725 . 73 VAL N N 121.100 . . 726 . 73 VAL CA C 70.0200 . . 727 . 73 VAL CB C 30.7000 . . 728 . 73 VAL CG1 C 21.3800 . . 729 . 73 VAL CG2 C 24.5500 . . 730 . 73 VAL HA H 3.7350 . . 731 . 73 VAL HB H 2.2530 . . 732 . 73 VAL HG1 H 0.9640 . . 733 . 73 VAL HG2 H 1.0680 . . 734 . 74 PRO CA C 66.4800 . . 735 . 74 PRO CB C 31.8200 . . 736 . 74 PRO C C 179.000 . . 737 . 74 PRO CG C 28.8400 . . 738 . 74 PRO CD C 51.2500 . . 739 . 74 PRO HA H 4.4510 . . 740 . 74 PRO HB2 H 1.8100 . . 741 . 74 PRO HB3 H 2.3530 . . 742 . 74 PRO HG2 H 1.9730 . . 743 . 74 PRO HG3 H 2.0880 . . 744 . 74 PRO HD2 H 3.5050 . . 745 . 74 PRO HD3 H 3.5580 . . 746 . 75 LEU H H 6.8700 . . 747 . 75 LEU N N 116.100 . . 748 . 75 LEU C C 180.600 . . 749 . 75 LEU CA C 57.9100 . . 750 . 75 LEU CB C 43.0000 . . 751 . 75 LEU CG C 27.1600 . . 752 . 75 LEU CD1 C 23.6200 . . 753 . 75 LEU CD2 C 26.6000 . . 754 . 75 LEU HA H 4.1300 . . 755 . 75 LEU HB2 H 1.5290 . . 756 . 75 LEU HB3 H 2.0880 . . 757 . 75 LEU HG H 1.9610 . . 758 . 75 LEU HD1 H 0.9520 . . 759 . 75 LEU HD2 H 1.0000 . . 760 . 76 ILE H H 7.7320 . . 761 . 76 ILE N N 119.500 . . 762 . 76 ILE C C 179.000 . . 763 . 76 ILE CA C 65.9200 . . 764 . 76 ILE CB C 38.9000 . . 765 . 76 ILE CG1 C 30.1400 . . 766 . 76 ILE CG2 C 18.0300 . . 767 . 76 ILE CD1 C 14.4900 . . 768 . 76 ILE HA H 3.5100 . . 769 . 76 ILE HB H 1.9580 . . 770 . 76 ILE HG12 H 0.8240 . . 771 . 76 ILE HG13 H 1.8140 . . 772 . 76 ILE HG2 H 0.9360 . . 773 . 76 ILE HD1 H 0.7490 . . 774 . 77 ALA H H 8.0740 . . 775 . 77 ALA N N 122.300 . . 776 . 77 ALA C C 179.800 . . 777 . 77 ALA CA C 55.3000 . . 778 . 77 ALA CB C 19.1400 . . 779 . 77 ALA HA H 4.2140 . . 780 . 77 ALA HB H 1.5350 . . 781 . 78 GLU H H 7.6030 . . 782 . 78 GLU N N 115.200 . . 783 . 78 GLU C C 177.300 . . 784 . 78 GLU CA C 56.6100 . . 785 . 78 GLU CB C 30.1400 . . 786 . 78 GLU CG C 36.7000 . . 787 . 78 GLU HA H 4.4640 . . 788 . 78 GLU HB2 H 2.0520 . . 789 . 78 GLU HB3 H 2.2630 . . 790 . 78 GLU HG2 H 2.4330 . . 791 . 79 SER H H 7.4010 . . 792 . 79 SER N N 114.700 . . 793 . 79 SER C C 175.900 . . 794 . 79 SER CA C 60.1500 . . 795 . 79 SER CB C 64.8100 . . 796 . 79 SER HA H 4.2440 . . 797 . 79 SER HB2 H 4.0050 . . 798 . 79 SER HB3 H 4.0760 . . 799 . 80 GLY H H 8.222 . . 800 . 80 GLY N N 109.200 . . 801 . 80 GLY C C 174.900 . . 802 . 80 GLY CA C 45.9800 . . 803 . 80 GLY HA2 H 3.8700 . . 804 . 80 GLY HA3 H 4.1010 . . 805 . 81 ASN H H 8.6820 . . 806 . 81 ASN N N 119.700 . . 807 . 81 ASN C C 174.000 . . 808 . 81 ASN CA C 54.5600 . . 809 . 81 ASN CB C 39.2700 . . 810 . 81 ASN HA H 4.688 . . 811 . 81 ASN HB2 H 2.75 . . 812 . 81 ASN HB3 H 3.51 . . 813 . 82 LYS H H 7.6640 . . 814 . 82 LYS N N 120.800 . . 815 . 82 LYS C C 174.100 . . 816 . 82 LYS CA C 55.6700 . . 817 . 82 LYS CB C 36.2900 . . 818 . 82 LYS CG C 25.1100 . . 819 . 82 LYS CD C 30.3300 . . 820 . 82 LYS CE C 42.2500 . . 821 . 82 LYS HA H 5.2310 . . 822 . 82 LYS HB2 H 1.6510 . . 823 . 82 LYS HB3 H 1.7340 . . 824 . 82 LYS HG2 H 1.0050 . . 825 . 82 LYS HD2 H 0.8300 . . 826 . 82 LYS HE2 H 2.9670 . . 827 . 83 LEU H H 8.6210 . . 828 . 83 LEU N N 128.500 . . 829 . 83 LEU C C 174.000 . . 830 . 83 LEU CA C 54.1800 . . 831 . 83 LEU CB C 46.3500 . . 832 . 83 LEU CG C 27.3400 . . 833 . 83 LEU CD1 C 27.7200 . . 834 . 83 LEU CD2 C 24.7400 . . 835 . 83 LEU HA H 4.5560 . . 836 . 83 LEU HB2 H 0.4800 . . 837 . 83 LEU HB3 H 0.8110 . . 838 . 83 LEU HG H 0.9190 . . 839 . 83 LEU HD1 H 0.3830 . . 840 . 83 LEU HD2 H 0.7400 . . 841 . 84 ASP H H 8.3730 . . 842 . 84 ASP N N 127.400 . . 843 . 84 ASP C C 175.700 . . 844 . 84 ASP CA C 54.1800 . . 845 . 84 ASP CB C 43.3700 . . 846 . 84 ASP HA H 5.1890 . . 847 . 84 ASP HB2 H 2.5190 . . 848 . 85 LEU H H 9.2560 . . 849 . 85 LEU N N 123.600 . . 850 . 85 LEU C C 177.700 . . 851 . 85 LEU CA C 53.6200 . . 852 . 85 LEU CB C 47.2900 . . 853 . 85 LEU CG C 27.3400 . . 854 . 85 LEU CD1 C 27.1400 . . 855 . 85 LEU CD2 C 26.0400 . . 856 . 85 LEU HA H 5.2660 . . 857 . 85 LEU HB2 H 1.0620 . . 858 . 85 LEU HB3 H 1.6740 . . 859 . 85 LEU HG H 1.3140 . . 860 . 85 LEU HD1 H 0.4020 . . 861 . 85 LEU HD2 H 0.8580 . . 862 . 86 VAL H H 8.1240 . . 863 . 86 VAL N N 122.100 . . 864 . 86 VAL C C 176.400 . . 865 . 86 VAL CA C 63.5000 . . 866 . 86 VAL CB C 33.8700 . . 867 . 86 VAL CG1 C 21.750 . . 868 . 86 VAL CG2 C 21.750 . . 869 . 86 VAL HA H 4.7500 . . 870 . 86 VAL HB H 1.6680 . . 871 . 86 VAL HG1 H 0.8010 . . 872 . 86 VAL HG2 H 0.8380 . . 873 . 87 ILE H H 9.1480 . . 874 . 87 ILE N N 121.800 . . 875 . 87 ILE C C 175.400 . . 876 . 87 ILE CA C 56.9600 . . 877 . 87 ILE CB C 43.8000 . . 878 . 87 ILE CG1 C 27.6600 . . 879 . 87 ILE CG2 C 22.1300 . . 880 . 87 ILE CD1 C 16.7300 . . 881 . 87 ILE HA H 5.7490 . . 882 . 87 ILE HB H 1.9380 . . 883 . 87 ILE HG12 H 0.9880 . . 884 . 87 ILE HG13 H 1.3790 . . 885 . 87 ILE HG2 H 0.6350 . . 886 . 87 ILE HD1 H 0.6480 . . 887 . 88 SER H H 8.8990 . . 888 . 88 SER N N 114.700 . . 889 . 88 SER C C 173.300 . . 890 . 88 SER CA C 56.6100 . . 891 . 88 SER CB C 67.2300 . . 892 . 88 SER HA H 5.6510 . . 893 . 88 SER HB2 H 3.6340 . . 894 . 88 SER HB3 H 3.8460 . . 895 . 89 ARG H H 8.7830 . . 896 . 89 ARG N N 121.300 . . 897 . 89 ARG C C 174.900 . . 898 . 89 ARG CA C 55.11000 . . 899 . 89 ARG CB C 35.3600 . . 900 . 89 ARG CG C 26.7700 . . 901 . 89 ARG CD C 43.9900 . . 902 . 89 ARG HA H 4.9800 . . 903 . 89 ARG HB2 H 1.700 . . 904 . 89 ARG HB3 H 2.1600 . . 905 . 89 ARG HG2 H 1.3900 . . 906 . 89 ARG HG3 H 1.4790 . . 907 . 89 ARG HD2 H 3.045 . . 908 . 90 ASN H H 8.9970 . . 909 . 90 ASN N N 123.800 . . 910 . 90 ASN CA C 51.7600 . . 911 . 90 ASN CB C 39.0900 . . 912 . 90 ASN HA H 5.2000 . . 913 . 90 ASN HB2 H 2.6900 . . 914 . 90 ASN HB3 H 2.9000 . . 915 . 91 PRO CA C 65.5500 . . 916 . 91 PRO CB C 32.9700 . . 917 . 91 PRO CG C 27.9000 . . 918 . 91 PRO CD C 51.3900 . . 919 . 91 PRO HA H 4.1890 . . 920 . 91 PRO HB2 H 1.9100 . . 921 . 91 PRO HB3 H 2.1980 . . 922 . 91 PRO HG2 H 1.9250 . . 923 . 91 PRO HG3 H 2.0180 . . 924 . 91 PRO HD2 H 3.7230 . . 925 . 91 PRO HD3 H 3.8150 . . stop_ save_