data_6739 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of SelM from Mus musculus ; _BMRB_accession_number 6739 _BMRB_flat_file_name bmr6739.str _Entry_type original _Submission_date 2005-07-21 _Accession_date 2005-08-11 _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 Ferguson A. D. . 2 Labunskyy V. M. . 3 Fomenko D. E. . 4 Arac D. . . 5 Chelliah Y. . . 6 Amezcua C. A. . 7 Rizo J. . . 8 Gladyshev V. N. . 9 Deisenhofer J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 534 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-28 original author . stop_ _Original_release_date 2005-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structures of the selenoproteins Sep15 and SelM reveal redox activity of new thioredoxin-like family. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16319061 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferguson A. D. . 2 Labunskyy V. M. . 3 Fomenko D. E. . 4 Arac D. . . 5 Chelliah Y. . . 6 Amezcua C. A. . 7 Rizo J. . . 8 Gladyshev V. N. . 9 Deisenhofer J. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2005 _Details . loop_ _Keyword Selenoprotein 'Redox enzyme' stop_ save_ ################################## # Molecular system description # ################################## save_system_Selenoprotein_M _Saveframe_category molecular_system _Mol_system_name 'Selenoprotein M' _Abbreviation_common 'Selenoprotein M' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Selenoprotein M' $Selenoprotein_M stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Selenoprotein_M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Selenoprotein M' _Abbreviation_common 'Selenoprotein M' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; MTNYRPDWNRLRGLARGRVE TCGGCQLNRLKEVKAFVTED IQLYHNLVMKHLPGADPELV LLSRNYQELERIPLSQMTRD EINALVQELGFYRKSAPEAQ VPPEYLWAPAKPPEEASEHD DLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ASN 4 TYR 5 ARG 6 PRO 7 ASP 8 TRP 9 ASN 10 ARG 11 LEU 12 ARG 13 GLY 14 LEU 15 ALA 16 ARG 17 GLY 18 ARG 19 VAL 20 GLU 21 THR 22 CYS 23 GLY 24 GLY 25 CYS 26 GLN 27 LEU 28 ASN 29 ARG 30 LEU 31 LYS 32 GLU 33 VAL 34 LYS 35 ALA 36 PHE 37 VAL 38 THR 39 GLU 40 ASP 41 ILE 42 GLN 43 LEU 44 TYR 45 HIS 46 ASN 47 LEU 48 VAL 49 MET 50 LYS 51 HIS 52 LEU 53 PRO 54 GLY 55 ALA 56 ASP 57 PRO 58 GLU 59 LEU 60 VAL 61 LEU 62 LEU 63 SER 64 ARG 65 ASN 66 TYR 67 GLN 68 GLU 69 LEU 70 GLU 71 ARG 72 ILE 73 PRO 74 LEU 75 SER 76 GLN 77 MET 78 THR 79 ARG 80 ASP 81 GLU 82 ILE 83 ASN 84 ALA 85 LEU 86 VAL 87 GLN 88 GLU 89 LEU 90 GLY 91 PHE 92 TYR 93 ARG 94 LYS 95 SER 96 ALA 97 PRO 98 GLU 99 ALA 100 GLN 101 VAL 102 PRO 103 PRO 104 GLU 105 TYR 106 LEU 107 TRP 108 ALA 109 PRO 110 ALA 111 LYS 112 PRO 113 PRO 114 GLU 115 GLU 116 ALA 117 SER 118 GLU 119 HIS 120 ASP 121 ASP 122 LEU 123 GLU 124 HIS 125 HIS 126 HIS 127 HIS 128 HIS 129 HIS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 REF NP_444497 'selenoprotein M precursor [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 SWISS-PROT Q8VHC3 'Selenoprotein M precursor (SelM)' 93.80 145 99.17 99.17 4.39e-65 GenBank AAI47334 'Selenoprotein M [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 GenBank AAK95398 'selenoprotein SelM [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 GenBank AAH19742 'Selm protein [Mus musculus]' 57.36 74 100.00 100.00 2.39e-35 GenBank AAI47333 'Selenoprotein M [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 DBJ BAE43252 'unnamed protein product [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 DBJ BAE43327 'unnamed protein product [Mus musculus]' 93.80 145 98.35 98.35 2.73e-64 PDB 2A2P 'Solution Structure Of Selm From Mus Musculus' 100.00 129 100.00 100.00 9.44e-71 DBJ BAC29028 'unnamed protein product [Mus musculus]' 93.80 145 99.17 99.17 4.39e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Selenoprotein_M 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $Selenoprotein_M '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 $Selenoprotein_M 1 mM '[U-15N; U-13C]' 'phosphate buffer' 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1 loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Nilges, M.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 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 '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _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 . pH temperature 298 . K 'ionic strength' 50 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Selenoprotein M' _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 MET HE H 2.080 . 1 2 . 1 MET CE C 17.130 . 1 3 . 2 THR HA H 4.470 . 1 4 . 2 THR HB H 4.180 . 1 5 . 2 THR HG2 H 1.250 . 1 6 . 2 THR C C 172.670 . 1 7 . 2 THR CA C 61.280 . 1 8 . 2 THR CB C 69.833 . 1 9 . 2 THR CG2 C 20.570 . 1 10 . 3 ASN H H 8.612 . 1 11 . 3 ASN HA H 4.820 . 1 12 . 3 ASN HB2 H 2.810 . 2 13 . 3 ASN HB3 H 2.730 . 2 14 . 3 ASN HD21 H 6.800 . 2 15 . 3 ASN HD22 H 7.580 . 2 16 . 3 ASN C C 174.460 . 1 17 . 3 ASN CA C 52.863 . 1 18 . 3 ASN CB C 39.469 . 1 19 . 3 ASN N N 123.550 . 1 20 . 3 ASN ND2 N 112.480 . 1 21 . 4 TYR H H 8.100 . 1 22 . 4 TYR HA H 4.230 . 1 23 . 4 TYR HB2 H 2.980 . 2 24 . 4 TYR HB3 H 2.550 . 2 25 . 4 TYR HD1 H 6.860 . 1 26 . 4 TYR HD2 H 6.860 . 1 27 . 4 TYR HE1 H 6.440 . 1 28 . 4 TYR HE2 H 6.440 . 1 29 . 4 TYR C C 174.580 . 1 30 . 4 TYR CA C 59.673 . 1 31 . 4 TYR CB C 39.330 . 1 32 . 4 TYR CD1 C 132.510 . 1 33 . 4 TYR CD2 C 132.510 . 1 34 . 4 TYR CE1 C 117.940 . 1 35 . 4 TYR CE2 C 117.940 . 1 36 . 4 TYR N N 122.300 . 1 37 . 5 ARG H H 7.332 . 1 38 . 5 ARG HA H 4.450 . 1 39 . 5 ARG HB2 H 1.560 . 2 40 . 5 ARG HB3 H 1.440 . 2 41 . 5 ARG HG2 H 1.540 . 2 42 . 5 ARG HG3 H 1.450 . 2 43 . 5 ARG HD2 H 3.150 . 1 44 . 5 ARG HD3 H 3.150 . 1 45 . 5 ARG CA C 51.623 . 1 46 . 5 ARG CB C 31.515 . 1 47 . 5 ARG CG C 26.370 . 1 48 . 5 ARG CD C 43.090 . 1 49 . 5 ARG N N 128.180 . 1 50 . 6 PRO HA H 3.740 . 1 51 . 6 PRO HB2 H 1.240 . 2 52 . 6 PRO HB3 H 0.620 . 2 53 . 6 PRO HG2 H 1.840 . 2 54 . 6 PRO HG3 H 1.590 . 2 55 . 6 PRO HD2 H 3.510 . 2 56 . 6 PRO HD3 H 3.380 . 2 57 . 6 PRO C C 175.180 . 1 58 . 6 PRO CA C 62.648 . 1 59 . 6 PRO CB C 31.342 . 1 60 . 6 PRO CG C 27.400 . 1 61 . 6 PRO CD C 50.550 . 1 62 . 7 ASP H H 7.592 . 1 63 . 7 ASP HA H 4.640 . 1 64 . 7 ASP HB2 H 2.850 . 2 65 . 7 ASP HB3 H 2.470 . 2 66 . 7 ASP C C 176.820 . 1 67 . 7 ASP CA C 51.726 . 1 68 . 7 ASP CB C 40.722 . 1 69 . 7 ASP N N 122.340 . 1 70 . 8 TRP H H 8.359 . 1 71 . 8 TRP HA H 4.300 . 1 72 . 8 TRP HB2 H 3.500 . 2 73 . 8 TRP HB3 H 3.020 . 2 74 . 8 TRP HD1 H 7.310 . 1 75 . 8 TRP HE1 H 10.230 . 3 76 . 8 TRP HE3 H 7.590 . 3 77 . 8 TRP HZ2 H 7.520 . 3 78 . 8 TRP HZ3 H 7.110 . 3 79 . 8 TRP HH2 H 7.420 . 1 80 . 8 TRP C C 177.990 . 1 81 . 8 TRP CA C 60.080 . 1 82 . 8 TRP CB C 28.750 . 1 83 . 8 TRP CD1 C 127.060 . 3 84 . 8 TRP CE3 C 120.710 . 3 85 . 8 TRP CZ2 C 114.220 . 3 86 . 8 TRP CZ3 C 122.070 . 3 87 . 8 TRP CH2 C 124.870 . 1 88 . 8 TRP N N 124.210 . 1 89 . 8 TRP NE1 N 128.600 . 1 90 . 9 ASN H H 8.422 . 1 91 . 9 ASN HA H 4.670 . 1 92 . 9 ASN HB2 H 3.010 . 2 93 . 9 ASN HB3 H 2.880 . 2 94 . 9 ASN HD21 H 7.040 . 2 95 . 9 ASN HD22 H 7.991 . 2 96 . 9 ASN C C 177.520 . 1 97 . 9 ASN CA C 55.570 . 1 98 . 9 ASN CB C 38.500 . 1 99 . 9 ASN N N 117.710 . 1 100 . 9 ASN ND2 N 115.090 . 1 101 . 10 ARG H H 7.613 . 1 102 . 10 ARG HA H 4.230 . 1 103 . 10 ARG HB2 H 2.020 . 2 104 . 10 ARG HB3 H 1.830 . 2 105 . 10 ARG HG2 H 1.680 . 2 106 . 10 ARG HG3 H 1.640 . 2 107 . 10 ARG HD2 H 3.340 . 2 108 . 10 ARG HD3 H 3.270 . 2 109 . 10 ARG C C 177.700 . 1 110 . 10 ARG CA C 57.900 . 1 111 . 10 ARG CB C 30.830 . 1 112 . 10 ARG CG C 27.910 . 1 113 . 10 ARG CD C 43.600 . 1 114 . 10 ARG N N 120.210 . 1 115 . 11 LEU H H 7.547 . 1 116 . 11 LEU HA H 4.340 . 1 117 . 11 LEU HB2 H 1.770 . 2 118 . 11 LEU HB3 H 1.560 . 2 119 . 11 LEU HG H 1.590 . 1 120 . 11 LEU HD1 H 0.250 . 2 121 . 11 LEU HD2 H 0.680 . 2 122 . 11 LEU C C 176.240 . 1 123 . 11 LEU CA C 53.900 . 1 124 . 11 LEU CB C 42.500 . 1 125 . 11 LEU CG C 26.200 . 1 126 . 11 LEU CD1 C 25.840 . 1 127 . 11 LEU CD2 C 23.800 . 1 128 . 11 LEU N N 115.390 . 1 129 . 12 ARG H H 7.186 . 1 130 . 12 ARG HA H 4.220 . 1 131 . 12 ARG HB2 H 1.990 . 2 132 . 12 ARG HB3 H 1.890 . 2 133 . 12 ARG HG2 H 1.880 . 2 134 . 12 ARG HG3 H 1.760 . 2 135 . 12 ARG HD2 H 3.310 . 1 136 . 12 ARG HD3 H 3.310 . 1 137 . 12 ARG C C 177.360 . 1 138 . 12 ARG CA C 58.842 . 1 139 . 12 ARG CB C 29.871 . 1 140 . 12 ARG CG C 27.400 . 1 141 . 12 ARG CD C 43.530 . 1 142 . 12 ARG N N 122.630 . 1 143 . 13 GLY H H 9.061 . 1 144 . 13 GLY HA2 H 4.080 . 2 145 . 13 GLY HA3 H 3.930 . 2 146 . 13 GLY C C 174.830 . 1 147 . 13 GLY CA C 44.705 . 1 148 . 13 GLY N N 110.360 . 1 149 . 14 LEU H H 7.774 . 1 150 . 14 LEU HA H 3.710 . 1 151 . 14 LEU HB2 H 2.000 . 2 152 . 14 LEU HB3 H 1.710 . 2 153 . 14 LEU HG H 1.310 . 1 154 . 14 LEU HD1 H 1.180 . 2 155 . 14 LEU HD2 H 1.150 . 2 156 . 14 LEU C C 175.900 . 1 157 . 14 LEU CA C 57.485 . 1 158 . 14 LEU CB C 42.346 . 1 159 . 14 LEU CG C 27.500 . 1 160 . 14 LEU CD1 C 26.700 . 1 161 . 14 LEU CD2 C 27.800 . 1 162 . 14 LEU N N 122.500 . 1 163 . 15 ALA H H 8.913 . 1 164 . 15 ALA HA H 4.670 . 1 165 . 15 ALA HB H 1.300 . 1 166 . 15 ALA C C 175.430 . 1 167 . 15 ALA CA C 52.665 . 1 168 . 15 ALA CB C 22.900 . 1 169 . 15 ALA N N 125.650 . 1 170 . 16 ARG H H 8.022 . 1 171 . 16 ARG HA H 4.860 . 1 172 . 16 ARG HB2 H 2.290 . 2 173 . 16 ARG HB3 H 1.870 . 2 174 . 16 ARG HG2 H 1.270 . 1 175 . 16 ARG HG3 H 1.270 . 1 176 . 16 ARG HD2 H 3.020 . 2 177 . 16 ARG HD3 H 2.650 . 2 178 . 16 ARG C C 173.920 . 1 179 . 16 ARG CA C 55.273 . 1 180 . 16 ARG CB C 32.327 . 1 181 . 16 ARG CG C 27.110 . 1 182 . 16 ARG CD C 43.310 . 1 183 . 16 ARG N N 112.030 . 1 184 . 17 GLY H H 8.734 . 1 185 . 17 GLY HA2 H 5.500 . 2 186 . 17 GLY HA3 H 3.620 . 2 187 . 17 GLY C C 172.270 . 1 188 . 17 GLY CA C 45.285 . 1 189 . 17 GLY N N 131.230 . 1 190 . 18 ARG H H 9.434 . 1 191 . 18 ARG HA H 5.430 . 1 192 . 18 ARG HB2 H 1.720 . 2 193 . 18 ARG HB3 H 1.570 . 2 194 . 18 ARG HG2 H 1.420 . 2 195 . 18 ARG HG3 H 1.370 . 2 196 . 18 ARG HD2 H 3.270 . 2 197 . 18 ARG HD3 H 3.070 . 2 198 . 18 ARG C C 174.420 . 1 199 . 18 ARG CA C 54.154 . 1 200 . 18 ARG CB C 35.341 . 1 201 . 18 ARG CG C 27.770 . 1 202 . 18 ARG CD C 44.330 . 1 203 . 18 ARG N N 121.470 . 1 204 . 19 VAL H H 9.212 . 1 205 . 19 VAL HA H 4.830 . 1 206 . 19 VAL HB H 1.880 . 1 207 . 19 VAL HG1 H 0.660 . 2 208 . 19 VAL HG2 H 0.820 . 2 209 . 19 VAL C C 174.760 . 1 210 . 19 VAL CA C 61.408 . 1 211 . 19 VAL CB C 32.390 . 1 212 . 19 VAL CG1 C 20.620 . 1 213 . 19 VAL CG2 C 22.660 . 1 214 . 19 VAL N N 125.900 . 1 215 . 20 GLU H H 8.838 . 1 216 . 20 GLU HA H 5.280 . 1 217 . 20 GLU HB2 H 1.880 . 2 218 . 20 GLU HB3 H 1.840 . 2 219 . 20 GLU HG2 H 2.250 . 2 220 . 20 GLU HG3 H 1.990 . 2 221 . 20 GLU C C 175.220 . 1 222 . 20 GLU CA C 54.623 . 1 223 . 20 GLU CB C 31.034 . 1 224 . 20 GLU CG C 37.980 . 1 225 . 20 GLU N N 128.510 . 1 226 . 21 THR H H 8.164 . 1 227 . 21 THR HA H 4.410 . 1 228 . 21 THR HB H 3.980 . 1 229 . 21 THR HG2 H 1.010 . 1 230 . 21 THR C C 171.630 . 1 231 . 21 THR CA C 60.308 . 1 232 . 21 THR CB C 69.519 . 1 233 . 21 THR CG2 C 19.810 . 1 234 . 21 THR N N 113.220 . 1 235 . 22 CYS H H 8.292 . 1 236 . 22 CYS HA H 5.040 . 1 237 . 22 CYS HB2 H 3.770 . 2 238 . 22 CYS HB3 H 3.440 . 2 239 . 22 CYS CA C 55.090 . 1 240 . 22 CYS CB C 40.557 . 1 241 . 22 CYS N N 124.040 . 1 242 . 26 GLN HA H 4.260 . 1 243 . 26 GLN HB2 H 2.170 . 2 244 . 26 GLN HB3 H 2.050 . 2 245 . 26 GLN HG2 H 2.450 . 2 246 . 26 GLN HG3 H 2.340 . 2 247 . 26 GLN HE21 H 6.770 . 2 248 . 26 GLN HE22 H 7.570 . 2 249 . 26 GLN CB C 28.400 . 1 250 . 26 GLN CG C 33.900 . 1 251 . 26 GLN NE2 N 111.900 . 1 252 . 27 LEU HA H 4.140 . 1 253 . 27 LEU HB2 H 2.000 . 2 254 . 27 LEU HB3 H 1.870 . 2 255 . 27 LEU HG H 1.640 . 1 256 . 27 LEU HD1 H 0.940 . 2 257 . 27 LEU HD2 H 0.910 . 2 258 . 27 LEU CA C 56.600 . 1 259 . 27 LEU CD1 C 25.100 . 1 260 . 27 LEU CD2 C 24.100 . 1 261 . 28 ASN HA H 4.440 . 1 262 . 28 ASN HB2 H 2.820 . 2 263 . 28 ASN HD21 H 6.990 . 2 264 . 28 ASN HD22 H 7.670 . 2 265 . 28 ASN CB C 38.200 . 1 266 . 28 ASN ND2 N 113.100 . 1 267 . 29 ARG HA H 4.430 . 1 268 . 29 ARG HB2 H 1.970 . 2 269 . 29 ARG HB3 H 1.910 . 2 270 . 29 ARG HG2 H 1.650 . 1 271 . 29 ARG HG3 H 1.650 . 1 272 . 29 ARG HD2 H 3.250 . 1 273 . 29 ARG HD3 H 3.250 . 1 274 . 29 ARG C C 176.560 . 1 275 . 29 ARG CA C 56.950 . 1 276 . 29 ARG CB C 30.800 . 1 277 . 29 ARG CG C 27.630 . 1 278 . 29 ARG CD C 43.500 . 1 279 . 30 LEU H H 7.839 . 1 280 . 30 LEU HA H 4.850 . 1 281 . 30 LEU HB2 H 1.830 . 2 282 . 30 LEU HB3 H 1.620 . 2 283 . 30 LEU HG H 1.640 . 1 284 . 30 LEU HD1 H 0.970 . 2 285 . 30 LEU HD2 H 0.990 . 2 286 . 30 LEU C C 177.000 . 1 287 . 30 LEU CA C 53.293 . 1 288 . 30 LEU CB C 41.550 . 1 289 . 30 LEU CG C 26.670 . 1 290 . 30 LEU CD1 C 26.800 . 1 291 . 30 LEU CD2 C 23.600 . 1 292 . 30 LEU N N 121.799 . 1 293 . 31 LYS H H 7.907 . 1 294 . 31 LYS HA H 3.970 . 1 295 . 31 LYS HB2 H 1.950 . 2 296 . 31 LYS HB3 H 1.920 . 2 297 . 31 LYS HG2 H 1.530 . 2 298 . 31 LYS HG3 H 1.520 . 2 299 . 31 LYS HD2 H 1.750 . 1 300 . 31 LYS HD3 H 1.750 . 1 301 . 31 LYS HE2 H 3.070 . 1 302 . 31 LYS HE3 H 3.070 . 1 303 . 31 LYS C C 179.420 . 1 304 . 31 LYS CA C 60.281 . 1 305 . 31 LYS CB C 32.678 . 1 306 . 31 LYS CG C 25.140 . 1 307 . 31 LYS CD C 29.590 . 1 308 . 31 LYS CE C 42.290 . 1 309 . 31 LYS N N 120.430 . 1 310 . 32 GLU H H 9.004 . 1 311 . 32 GLU HA H 4.170 . 1 312 . 32 GLU HB2 H 2.300 . 2 313 . 32 GLU HB3 H 2.140 . 2 314 . 32 GLU HG2 H 2.500 . 2 315 . 32 GLU HG3 H 2.440 . 2 316 . 32 GLU C C 178.450 . 1 317 . 32 GLU CA C 59.208 . 1 318 . 32 GLU CB C 29.488 . 1 319 . 32 GLU CG C 36.230 . 1 320 . 32 GLU N N 119.300 . 1 321 . 33 VAL H H 6.962 . 1 322 . 33 VAL HA H 3.560 . 1 323 . 33 VAL HB H 2.150 . 1 324 . 33 VAL HG1 H 0.930 . 2 325 . 33 VAL HG2 H 0.960 . 2 326 . 33 VAL C C 178.000 . 1 327 . 33 VAL CA C 65.561 . 1 328 . 33 VAL CB C 31.615 . 1 329 . 33 VAL CG1 C 22.100 . 1 330 . 33 VAL CG2 C 23.750 . 1 331 . 33 VAL N N 117.740 . 1 332 . 34 LYS H H 8.691 . 1 333 . 34 LYS HA H 3.960 . 1 334 . 34 LYS HB2 H 1.990 . 2 335 . 34 LYS HB3 H 1.900 . 2 336 . 34 LYS HG2 H 1.390 . 1 337 . 34 LYS HG3 H 1.390 . 1 338 . 34 LYS HD2 H 1.660 . 2 339 . 34 LYS HD3 H 1.600 . 2 340 . 34 LYS HE2 H 2.950 . 1 341 . 34 LYS HE3 H 2.950 . 1 342 . 34 LYS C C 179.270 . 1 343 . 34 LYS CA C 59.639 . 1 344 . 34 LYS CB C 32.100 . 1 345 . 34 LYS CG C 25.213 . 1 346 . 34 LYS CD C 29.450 . 1 347 . 34 LYS CE C 42.360 . 1 348 . 34 LYS N N 120.190 . 1 349 . 35 ALA H H 7.867 . 1 350 . 35 ALA HA H 4.180 . 1 351 . 35 ALA HB H 1.500 . 1 352 . 35 ALA C C 178.950 . 1 353 . 35 ALA CA C 55.641 . 1 354 . 35 ALA CB C 18.643 . 1 355 . 35 ALA N N 122.290 . 1 356 . 36 PHE H H 7.656 . 1 357 . 36 PHE HA H 4.690 . 1 358 . 36 PHE HB2 H 3.380 . 2 359 . 36 PHE HB3 H 3.180 . 2 360 . 36 PHE HD1 H 6.970 . 1 361 . 36 PHE HD2 H 6.970 . 1 362 . 36 PHE HE1 H 6.960 . 1 363 . 36 PHE HE2 H 6.960 . 1 364 . 36 PHE HZ H 6.560 . 1 365 . 36 PHE C C 177.960 . 1 366 . 36 PHE CA C 61.433 . 1 367 . 36 PHE CB C 39.890 . 1 368 . 36 PHE CD1 C 133.400 . 1 369 . 36 PHE CD2 C 133.400 . 1 370 . 36 PHE CE1 C 132.600 . 1 371 . 36 PHE CE2 C 132.600 . 1 372 . 36 PHE CZ C 128.700 . 1 373 . 36 PHE N N 118.030 . 1 374 . 37 VAL H H 8.815 . 1 375 . 37 VAL HA H 3.650 . 1 376 . 37 VAL HB H 2.480 . 1 377 . 37 VAL HG1 H 1.030 . 2 378 . 37 VAL HG2 H 1.150 . 2 379 . 37 VAL C C 176.360 . 1 380 . 37 VAL CA C 64.817 . 1 381 . 37 VAL CB C 31.714 . 1 382 . 37 VAL CG1 C 22.500 . 1 383 . 37 VAL CG2 C 21.530 . 1 384 . 37 VAL N N 114.650 . 1 385 . 38 THR H H 8.223 . 1 386 . 38 THR HA H 4.190 . 1 387 . 38 THR HB H 4.220 . 1 388 . 38 THR HG2 H 1.290 . 1 389 . 38 THR C C 175.870 . 1 390 . 38 THR CA C 64.758 . 1 391 . 38 THR CB C 69.899 . 1 392 . 38 THR CG2 C 21.930 . 1 393 . 38 THR N N 112.150 . 1 394 . 39 GLU H H 8.064 . 1 395 . 39 GLU HA H 4.480 . 1 396 . 39 GLU HB2 H 1.940 . 1 397 . 39 GLU HB3 H 1.940 . 1 398 . 39 GLU HG2 H 2.280 . 2 399 . 39 GLU HG3 H 2.190 . 2 400 . 39 GLU C C 176.890 . 1 401 . 39 GLU CA C 57.516 . 1 402 . 39 GLU CB C 32.247 . 1 403 . 39 GLU CG C 36.380 . 1 404 . 39 GLU N N 118.130 . 1 405 . 40 ASP H H 7.415 . 1 406 . 40 ASP HA H 4.780 . 1 407 . 40 ASP HB2 H 2.680 . 2 408 . 40 ASP HB3 H 2.640 . 2 409 . 40 ASP C C 178.540 . 1 410 . 40 ASP CA C 56.065 . 1 411 . 40 ASP CB C 43.435 . 1 412 . 40 ASP N N 116.250 . 1 413 . 41 ILE H H 7.266 . 1 414 . 41 ILE HA H 3.440 . 1 415 . 41 ILE HB H 1.400 . 1 416 . 41 ILE HG12 H 1.340 . 1 417 . 41 ILE HG13 H 1.030 . 1 418 . 41 ILE HG2 H 0.850 . 1 419 . 41 ILE HD1 H 0.750 . 1 420 . 41 ILE C C 177.040 . 1 421 . 41 ILE CA C 66.614 . 1 422 . 41 ILE CB C 37.754 . 1 423 . 41 ILE CG1 C 30.100 . 2 424 . 41 ILE CG2 C 16.900 . 1 425 . 41 ILE CD1 C 15.580 . 1 426 . 41 ILE N N 119.820 . 1 427 . 42 GLN H H 8.846 . 1 428 . 42 GLN HA H 4.260 . 1 429 . 42 GLN HB2 H 2.090 . 2 430 . 42 GLN HB3 H 2.050 . 2 431 . 42 GLN HG2 H 2.220 . 1 432 . 42 GLN HG3 H 2.220 . 1 433 . 42 GLN HE21 H 6.860 . 2 434 . 42 GLN HE22 H 7.380 . 2 435 . 42 GLN C C 175.910 . 1 436 . 42 GLN CA C 57.164 . 1 437 . 42 GLN CB C 27.841 . 1 438 . 42 GLN CG C 33.390 . 1 439 . 42 GLN N N 117.340 . 1 440 . 42 GLN NE2 N 111.000 . 1 441 . 43 LEU H H 7.894 . 1 442 . 43 LEU HA H 3.970 . 1 443 . 43 LEU HB2 H 1.470 . 2 444 . 43 LEU HB3 H 1.360 . 2 445 . 43 LEU HG H 1.450 . 1 446 . 43 LEU HD1 H 0.780 . 2 447 . 43 LEU HD2 H 0.440 . 2 448 . 43 LEU C C 176.230 . 1 449 . 43 LEU CA C 54.620 . 1 450 . 43 LEU CB C 41.057 . 1 451 . 43 LEU CG C 27.040 . 1 452 . 43 LEU CD1 C 25.210 . 1 453 . 43 LEU CD2 C 21.490 . 1 454 . 43 LEU N N 117.990 . 1 455 . 44 TYR H H 7.748 . 1 456 . 44 TYR HA H 5.250 . 1 457 . 44 TYR HB2 H 2.850 . 2 458 . 44 TYR HB3 H 2.630 . 2 459 . 44 TYR HD1 H 6.890 . 1 460 . 44 TYR HD2 H 6.890 . 1 461 . 44 TYR HE1 H 6.680 . 1 462 . 44 TYR HE2 H 6.680 . 1 463 . 44 TYR C C 176.030 . 1 464 . 44 TYR CA C 58.368 . 1 465 . 44 TYR CB C 40.478 . 1 466 . 44 TYR CD1 C 133.400 . 1 467 . 44 TYR CD2 C 133.400 . 1 468 . 44 TYR CE1 C 117.400 . 1 469 . 44 TYR CE2 C 117.400 . 1 470 . 44 TYR N N 116.880 . 1 471 . 45 HIS H H 8.779 . 1 472 . 45 HIS HA H 4.930 . 1 473 . 45 HIS HB2 H 3.870 . 2 474 . 45 HIS HB3 H 2.980 . 2 475 . 45 HIS HD2 H 7.330 . 3 476 . 45 HIS HE1 H 7.830 . 3 477 . 45 HIS C C 177.080 . 1 478 . 45 HIS CA C 55.896 . 1 479 . 45 HIS CB C 32.956 . 1 480 . 45 HIS CD2 C 119.400 . 1 481 . 45 HIS CE1 C 138.980 . 1 482 . 45 HIS N N 124.600 . 1 483 . 46 ASN H H 8.611 . 1 484 . 46 ASN HA H 4.430 . 1 485 . 46 ASN HB2 H 3.390 . 2 486 . 46 ASN HB3 H 3.080 . 2 487 . 46 ASN HD21 H 6.420 . 2 488 . 46 ASN HD22 H 7.730 . 2 489 . 46 ASN C C 171.700 . 1 490 . 46 ASN CA C 54.833 . 1 491 . 46 ASN CB C 36.124 . 1 492 . 46 ASN N N 122.080 . 1 493 . 46 ASN ND2 N 112.430 . 1 494 . 47 LEU H H 7.331 . 1 495 . 47 LEU HA H 5.050 . 1 496 . 47 LEU HB2 H 1.800 . 2 497 . 47 LEU HB3 H 0.890 . 2 498 . 47 LEU HG H 1.180 . 1 499 . 47 LEU HD1 H 0.210 . 2 500 . 47 LEU HD2 H 0.360 . 2 501 . 47 LEU C C 174.720 . 1 502 . 47 LEU CA C 54.006 . 1 503 . 47 LEU CB C 45.068 . 1 504 . 47 LEU CG C 26.670 . 1 505 . 47 LEU CD1 C 23.200 . 1 506 . 47 LEU CD2 C 26.670 . 1 507 . 47 LEU N N 117.700 . 1 508 . 48 VAL H H 7.477 . 1 509 . 48 VAL HA H 4.760 . 1 510 . 48 VAL HB H 2.270 . 1 511 . 48 VAL HG1 H 0.990 . 2 512 . 48 VAL HG2 H 0.960 . 2 513 . 48 VAL C C 174.040 . 1 514 . 48 VAL CA C 59.276 . 1 515 . 48 VAL CB C 35.752 . 1 516 . 48 VAL CG1 C 21.270 . 1 517 . 48 VAL CG2 C 19.590 . 1 518 . 48 VAL N N 118.300 . 1 519 . 49 MET H H 8.742 . 1 520 . 49 MET HA H 5.100 . 1 521 . 49 MET HB2 H 2.020 . 2 522 . 49 MET HB3 H 1.870 . 2 523 . 49 MET HG2 H 2.360 . 2 524 . 49 MET HG3 H 2.300 . 2 525 . 49 MET HE H 1.890 . 1 526 . 49 MET C C 174.870 . 1 527 . 49 MET CA C 54.425 . 1 528 . 49 MET CB C 34.947 . 1 529 . 49 MET CG C 31.990 . 1 530 . 49 MET CE C 17.270 . 1 531 . 49 MET N N 122.710 . 1 532 . 50 LYS H H 9.081 . 1 533 . 50 LYS HA H 4.560 . 1 534 . 50 LYS HB2 H 1.690 . 2 535 . 50 LYS HB3 H 1.540 . 2 536 . 50 LYS HG2 H 1.390 . 2 537 . 50 LYS HG3 H 1.250 . 2 538 . 50 LYS HD2 H 1.700 . 2 539 . 50 LYS HD3 H 1.610 . 2 540 . 50 LYS HE2 H 2.930 . 1 541 . 50 LYS HE3 H 2.930 . 1 542 . 50 LYS C C 173.610 . 1 543 . 50 LYS CA C 55.160 . 1 544 . 50 LYS CB C 37.009 . 1 545 . 50 LYS CG C 25.290 . 1 546 . 50 LYS CD C 29.590 . 1 547 . 50 LYS CE C 42.510 . 1 548 . 50 LYS N N 127.700 . 1 549 . 51 HIS H H 8.641 . 1 550 . 51 HIS HA H 5.440 . 1 551 . 51 HIS HB2 H 2.990 . 2 552 . 51 HIS HB3 H 2.930 . 2 553 . 51 HIS HD2 H 6.880 . 3 554 . 51 HIS HE1 H 7.810 . 3 555 . 51 HIS C C 175.330 . 1 556 . 51 HIS CA C 55.111 . 1 557 . 51 HIS CB C 31.193 . 1 558 . 51 HIS CD2 C 119.200 . 1 559 . 51 HIS CE1 C 138.100 . 1 560 . 51 HIS N N 125.780 . 1 561 . 52 LEU H H 8.062 . 1 562 . 52 LEU HA H 4.720 . 1 563 . 52 LEU HB2 H 1.500 . 2 564 . 52 LEU HB3 H 1.230 . 2 565 . 52 LEU HG H 1.250 . 1 566 . 52 LEU HD1 H 0.820 . 2 567 . 52 LEU HD2 H 0.880 . 2 568 . 52 LEU CA C 51.711 . 1 569 . 52 LEU CB C 44.990 . 1 570 . 52 LEU CG C 25.260 . 1 571 . 52 LEU CD1 C 25.620 . 1 572 . 52 LEU CD2 C 24.700 . 1 573 . 52 LEU N N 128.580 . 1 574 . 53 PRO HA H 4.380 . 1 575 . 53 PRO HB2 H 2.310 . 2 576 . 53 PRO HB3 H 1.910 . 2 577 . 53 PRO HG2 H 2.100 . 2 578 . 53 PRO HG3 H 1.970 . 2 579 . 53 PRO HD2 H 3.600 . 2 580 . 53 PRO HD3 H 3.570 . 2 581 . 53 PRO C C 178.480 . 1 582 . 53 PRO CA C 63.658 . 1 583 . 53 PRO CB C 31.670 . 1 584 . 53 PRO CG C 27.690 . 1 585 . 53 PRO CD C 50.740 . 1 586 . 54 GLY H H 8.510 . 1 587 . 54 GLY HA2 H 4.040 . 2 588 . 54 GLY HA3 H 3.830 . 2 589 . 54 GLY C C 173.800 . 1 590 . 54 GLY CA C 46.144 . 1 591 . 54 GLY N N 111.000 . 1 592 . 55 ALA H H 7.232 . 1 593 . 55 ALA HA H 4.240 . 1 594 . 55 ALA HB H 1.200 . 1 595 . 55 ALA C C 177.760 . 1 596 . 55 ALA CA C 52.829 . 1 597 . 55 ALA CB C 19.902 . 1 598 . 55 ALA N N 123.920 . 1 599 . 56 ASP H H 8.392 . 1 600 . 56 ASP HA H 4.830 . 1 601 . 56 ASP HB2 H 2.620 . 2 602 . 56 ASP HB3 H 2.470 . 2 603 . 56 ASP CA C 52.603 . 1 604 . 56 ASP CB C 40.401 . 1 605 . 56 ASP N N 123.580 . 1 606 . 57 PRO HA H 5.300 . 1 607 . 57 PRO HB2 H 2.180 . 2 608 . 57 PRO HB3 H 1.710 . 2 609 . 57 PRO HG2 H 2.130 . 2 610 . 57 PRO HG3 H 2.110 . 2 611 . 57 PRO HD2 H 3.850 . 2 612 . 57 PRO HD3 H 3.670 . 2 613 . 57 PRO C C 178.200 . 1 614 . 57 PRO CA C 62.400 . 1 615 . 57 PRO CB C 31.330 . 1 616 . 57 PRO CG C 28.640 . 1 617 . 57 PRO CD C 49.330 . 1 618 . 58 GLU H H 9.063 . 1 619 . 58 GLU HA H 4.930 . 1 620 . 58 GLU HB2 H 1.820 . 2 621 . 58 GLU HB3 H 1.540 . 2 622 . 58 GLU HG2 H 2.250 . 2 623 . 58 GLU HG3 H 1.830 . 2 624 . 58 GLU C C 176.300 . 1 625 . 58 GLU CA C 55.586 . 1 626 . 58 GLU CB C 35.124 . 1 627 . 58 GLU CG C 37.980 . 1 628 . 58 GLU N N 126.280 . 1 629 . 59 LEU H H 8.908 . 1 630 . 59 LEU HA H 4.660 . 1 631 . 59 LEU HB2 H 1.770 . 2 632 . 59 LEU HB3 H 1.010 . 2 633 . 59 LEU HG H 1.180 . 1 634 . 59 LEU HD1 H 0.440 . 2 635 . 59 LEU HD2 H 0.460 . 2 636 . 59 LEU C C 173.300 . 1 637 . 59 LEU CA C 53.752 . 1 638 . 59 LEU CB C 43.981 . 1 639 . 59 LEU CG C 26.750 . 1 640 . 59 LEU CD1 C 23.580 . 1 641 . 59 LEU CD2 C 26.560 . 1 642 . 59 LEU N N 124.150 . 1 643 . 60 VAL H H 9.673 . 1 644 . 60 VAL HA H 4.490 . 1 645 . 60 VAL HB H 2.130 . 1 646 . 60 VAL HG1 H 0.860 . 2 647 . 60 VAL HG2 H 0.780 . 2 648 . 60 VAL C C 174.960 . 1 649 . 60 VAL CA C 61.554 . 1 650 . 60 VAL CB C 32.763 . 1 651 . 60 VAL CG1 C 21.330 . 1 652 . 60 VAL CG2 C 20.590 . 1 653 . 60 VAL N N 129.630 . 1 654 . 61 LEU H H 8.739 . 1 655 . 61 LEU HA H 4.900 . 1 656 . 61 LEU HB2 H 1.830 . 2 657 . 61 LEU HB3 H 1.550 . 2 658 . 61 LEU HD1 H 0.930 . 2 659 . 61 LEU HD2 H 0.920 . 2 660 . 61 LEU C C 175.890 . 1 661 . 61 LEU CA C 53.686 . 1 662 . 61 LEU CB C 41.210 . 1 663 . 61 LEU CG C 27.110 . 1 664 . 61 LEU CD1 C 27.100 . 1 665 . 61 LEU CD2 C 22.660 . 1 666 . 61 LEU N N 126.720 . 1 667 . 62 LEU H H 8.536 . 1 668 . 62 LEU HA H 5.540 . 1 669 . 62 LEU HB2 H 1.530 . 2 670 . 62 LEU HB3 H 1.320 . 2 671 . 62 LEU HG H 1.500 . 1 672 . 62 LEU HD1 H 0.790 . 2 673 . 62 LEU HD2 H 0.740 . 2 674 . 62 LEU C C 176.740 . 1 675 . 62 LEU CA C 53.760 . 1 676 . 62 LEU CB C 47.350 . 1 677 . 62 LEU CG C 27.120 . 1 678 . 62 LEU CD1 C 26.940 . 1 679 . 62 LEU CD2 C 25.070 . 1 680 . 62 LEU N N 122.730 . 1 681 . 63 SER H H 8.888 . 1 682 . 63 SER HA H 5.090 . 1 683 . 63 SER HB2 H 4.530 . 2 684 . 63 SER HB3 H 3.880 . 2 685 . 63 SER C C 176.150 . 1 686 . 63 SER CA C 56.790 . 1 687 . 63 SER CB C 65.660 . 1 688 . 63 SER N N 116.860 . 1 689 . 64 ARG H H 9.051 . 1 690 . 64 ARG HA H 3.680 . 1 691 . 64 ARG HB2 H 1.890 . 2 692 . 64 ARG HB3 H 1.840 . 2 693 . 64 ARG HG2 H 1.690 . 1 694 . 64 ARG HG3 H 1.690 . 1 695 . 64 ARG HD2 H 3.200 . 1 696 . 64 ARG HD3 H 3.200 . 1 697 . 64 ARG CA C 59.226 . 1 698 . 64 ARG CB C 29.789 . 1 699 . 64 ARG CG C 26.900 . 1 700 . 64 ARG CD C 43.500 . 1 701 . 64 ARG N N 121.250 . 1 702 . 65 ASN HA H 4.970 . 1 703 . 65 ASN HB2 H 2.910 . 2 704 . 65 ASN HB3 H 2.890 . 2 705 . 65 ASN HD21 H 6.920 . 2 706 . 65 ASN HD22 H 7.630 . 2 707 . 65 ASN C C 174.230 . 1 708 . 65 ASN CA C 52.500 . 1 709 . 65 ASN CB C 37.670 . 1 710 . 65 ASN ND2 N 111.970 . 1 711 . 66 TYR H H 7.634 . 1 712 . 66 TYR HA H 3.490 . 1 713 . 66 TYR HB2 H 3.260 . 1 714 . 66 TYR HB3 H 3.260 . 1 715 . 66 TYR HD1 H 6.970 . 1 716 . 66 TYR HD2 H 6.970 . 1 717 . 66 TYR HE1 H 6.840 . 1 718 . 66 TYR HE2 H 6.840 . 1 719 . 66 TYR C C 174.070 . 1 720 . 66 TYR CA C 61.588 . 1 721 . 66 TYR CB C 33.672 . 1 722 . 66 TYR CD1 C 133.060 . 1 723 . 66 TYR CD2 C 133.060 . 1 724 . 66 TYR CE1 C 118.110 . 1 725 . 66 TYR CE2 C 118.110 . 1 726 . 66 TYR N N 110.990 . 1 727 . 67 GLN H H 7.732 . 1 728 . 67 GLN HA H 4.410 . 1 729 . 67 GLN HB2 H 1.980 . 1 730 . 67 GLN HB3 H 1.980 . 1 731 . 67 GLN HG2 H 2.280 . 1 732 . 67 GLN HG3 H 2.280 . 1 733 . 67 GLN HE21 H 6.920 . 2 734 . 67 GLN HE22 H 7.470 . 2 735 . 67 GLN C C 173.730 . 1 736 . 67 GLN CA C 55.300 . 1 737 . 67 GLN CB C 29.019 . 1 738 . 67 GLN CG C 34.130 . 1 739 . 67 GLN N N 117.500 . 1 740 . 67 GLN NE2 N 113.200 . 1 741 . 68 GLU H H 8.913 . 1 742 . 68 GLU HA H 4.230 . 1 743 . 68 GLU HB2 H 1.980 . 2 744 . 68 GLU HB3 H 1.870 . 2 745 . 68 GLU HG2 H 2.240 . 2 746 . 68 GLU HG3 H 1.890 . 2 747 . 68 GLU C C 176.170 . 1 748 . 68 GLU CA C 57.610 . 1 749 . 68 GLU CB C 29.700 . 1 750 . 68 GLU CG C 36.800 . 1 751 . 68 GLU N N 124.600 . 1 752 . 69 LEU H H 9.354 . 1 753 . 69 LEU HA H 4.440 . 1 754 . 69 LEU HB2 H 1.550 . 2 755 . 69 LEU HB3 H 1.370 . 2 756 . 69 LEU HG H 1.730 . 1 757 . 69 LEU HD1 H 0.620 . 2 758 . 69 LEU HD2 H 0.870 . 2 759 . 69 LEU C C 176.810 . 1 760 . 69 LEU CA C 55.530 . 1 761 . 69 LEU CB C 43.790 . 1 762 . 69 LEU CG C 26.940 . 1 763 . 69 LEU CD1 C 26.000 . 1 764 . 69 LEU CD2 C 22.080 . 1 765 . 69 LEU N N 126.530 . 1 766 . 70 GLU H H 7.319 . 1 767 . 70 GLU HA H 4.630 . 1 768 . 70 GLU HB2 H 2.060 . 2 769 . 70 GLU HB3 H 1.520 . 2 770 . 70 GLU HG2 H 2.170 . 1 771 . 70 GLU HG3 H 2.170 . 1 772 . 70 GLU C C 173.380 . 1 773 . 70 GLU CA C 55.659 . 1 774 . 70 GLU CB C 34.130 . 1 775 . 70 GLU CG C 36.180 . 1 776 . 70 GLU N N 115.360 . 1 777 . 71 ARG H H 8.703 . 1 778 . 71 ARG HA H 5.040 . 1 779 . 71 ARG HB2 H 1.680 . 2 780 . 71 ARG HB3 H 1.590 . 2 781 . 71 ARG HG2 H 1.350 . 2 782 . 71 ARG HG3 H 1.220 . 2 783 . 71 ARG HD2 H 3.290 . 2 784 . 71 ARG HD3 H 3.100 . 2 785 . 71 ARG HE H 7.940 . 1 786 . 71 ARG C C 175.170 . 1 787 . 71 ARG CA C 55.610 . 1 788 . 71 ARG CB C 33.520 . 1 789 . 71 ARG CG C 29.540 . 1 790 . 71 ARG CD C 42.980 . 1 791 . 71 ARG N N 124.810 . 1 792 . 71 ARG NE N 111.440 . 1 793 . 72 ILE H H 9.297 . 1 794 . 72 ILE HA H 4.390 . 1 795 . 72 ILE HB H 1.480 . 1 796 . 72 ILE HG12 H 1.000 . 1 797 . 72 ILE HG13 H 0.240 . 1 798 . 72 ILE HG2 H 0.380 . 1 799 . 72 ILE HD1 H 0.230 . 1 800 . 72 ILE CA C 58.339 . 1 801 . 72 ILE CB C 41.960 . 1 802 . 72 ILE CG1 C 27.600 . 2 803 . 72 ILE CG2 C 17.050 . 1 804 . 72 ILE CD1 C 15.180 . 1 805 . 72 ILE N N 125.960 . 1 806 . 73 PRO HA H 4.560 . 1 807 . 73 PRO HB2 H 2.520 . 2 808 . 73 PRO HB3 H 2.090 . 2 809 . 73 PRO HG2 H 2.220 . 2 810 . 73 PRO HG3 H 2.100 . 2 811 . 73 PRO HD2 H 3.880 . 2 812 . 73 PRO HD3 H 3.780 . 2 813 . 73 PRO C C 178.270 . 1 814 . 73 PRO CA C 63.660 . 1 815 . 73 PRO CB C 32.640 . 1 816 . 73 PRO CG C 27.620 . 1 817 . 73 PRO CD C 51.470 . 1 818 . 74 LEU H H 8.039 . 1 819 . 74 LEU HA H 4.540 . 1 820 . 74 LEU HB2 H 1.530 . 2 821 . 74 LEU HB3 H 1.290 . 2 822 . 74 LEU HG H 1.670 . 1 823 . 74 LEU HD1 H 0.560 . 2 824 . 74 LEU HD2 H 0.590 . 2 825 . 74 LEU C C 178.360 . 1 826 . 74 LEU CA C 54.608 . 1 827 . 74 LEU CB C 44.056 . 1 828 . 74 LEU CG C 26.560 . 1 829 . 74 LEU CD1 C 26.020 . 1 830 . 74 LEU CD2 C 22.640 . 1 831 . 74 LEU N N 121.010 . 1 832 . 75 SER H H 8.036 . 1 833 . 75 SER HA H 4.730 . 1 834 . 75 SER HB2 H 3.980 . 2 835 . 75 SER HB3 H 3.910 . 2 836 . 75 SER C C 175.140 . 1 837 . 75 SER CA C 63.660 . 1 838 . 75 SER CB C 63.660 . 1 839 . 75 SER N N 111.420 . 1 840 . 76 GLN H H 8.706 . 1 841 . 76 GLN HA H 4.530 . 1 842 . 76 GLN HB2 H 2.380 . 2 843 . 76 GLN HB3 H 1.900 . 2 844 . 76 GLN HG2 H 2.350 . 2 845 . 76 GLN HG3 H 2.300 . 2 846 . 76 GLN HE21 H 6.810 . 2 847 . 76 GLN HE22 H 7.510 . 2 848 . 76 GLN C C 175.990 . 1 849 . 76 GLN CA C 55.470 . 1 850 . 76 GLN CB C 29.170 . 1 851 . 76 GLN CG C 34.690 . 1 852 . 76 GLN N N 118.310 . 1 853 . 76 GLN NE2 N 112.260 . 1 854 . 77 MET H H 7.617 . 1 855 . 77 MET HA H 4.520 . 1 856 . 77 MET HB2 H 2.070 . 2 857 . 77 MET HB3 H 1.890 . 2 858 . 77 MET HG2 H 2.510 . 2 859 . 77 MET HG3 H 2.490 . 2 860 . 77 MET HE H 1.880 . 1 861 . 77 MET C C 176.040 . 1 862 . 77 MET CA C 56.197 . 1 863 . 77 MET CB C 35.740 . 1 864 . 77 MET CG C 33.570 . 1 865 . 77 MET CE C 17.800 . 1 866 . 77 MET N N 120.000 . 1 867 . 78 THR H H 8.914 . 1 868 . 78 THR HA H 4.300 . 1 869 . 78 THR HB H 4.720 . 1 870 . 78 THR HG2 H 1.220 . 1 871 . 78 THR C C 174.910 . 1 872 . 78 THR CA C 60.259 . 1 873 . 78 THR CB C 70.524 . 1 874 . 78 THR CG2 C 22.150 . 1 875 . 78 THR N N 111.640 . 1 876 . 79 ARG H H 10.112 . 1 877 . 79 ARG HA H 3.830 . 1 878 . 79 ARG HB2 H 2.400 . 2 879 . 79 ARG HB3 H 1.980 . 2 880 . 79 ARG HG2 H 1.730 . 1 881 . 79 ARG HG3 H 1.730 . 1 882 . 79 ARG HD2 H 3.260 . 2 883 . 79 ARG HD3 H 3.040 . 2 884 . 79 ARG HE H 9.250 . 1 885 . 79 ARG C C 179.750 . 1 886 . 79 ARG CA C 60.850 . 1 887 . 79 ARG CB C 30.790 . 1 888 . 79 ARG CG C 26.560 . 1 889 . 79 ARG CD C 44.820 . 1 890 . 79 ARG N N 123.970 . 1 891 . 79 ARG NE N 112.060 . 1 892 . 80 ASP H H 8.734 . 1 893 . 80 ASP HA H 4.520 . 1 894 . 80 ASP HB2 H 2.660 . 2 895 . 80 ASP HB3 H 2.560 . 2 896 . 80 ASP C C 179.250 . 1 897 . 80 ASP CA C 57.596 . 1 898 . 80 ASP CB C 40.296 . 1 899 . 80 ASP N N 119.410 . 1 900 . 81 GLU H H 7.792 . 1 901 . 81 GLU HA H 3.930 . 1 902 . 81 GLU HB2 H 2.390 . 2 903 . 81 GLU HB3 H 1.790 . 2 904 . 81 GLU HG2 H 2.370 . 2 905 . 81 GLU HG3 H 2.260 . 2 906 . 81 GLU C C 179.610 . 1 907 . 81 GLU CA C 58.967 . 1 908 . 81 GLU CB C 29.980 . 1 909 . 81 GLU CG C 37.300 . 1 910 . 81 GLU N N 121.340 . 1 911 . 82 ILE H H 8.576 . 1 912 . 82 ILE HA H 3.280 . 1 913 . 82 ILE HB H 1.190 . 1 914 . 82 ILE HG12 H 1.910 . 1 915 . 82 ILE HG13 H 0.590 . 1 916 . 82 ILE HG2 H -0.480 . 1 917 . 82 ILE HD1 H 0.530 . 1 918 . 82 ILE C C 177.590 . 1 919 . 82 ILE CA C 66.390 . 1 920 . 82 ILE CB C 38.550 . 1 921 . 82 ILE CG1 C 29.550 . 2 922 . 82 ILE CG2 C 15.740 . 1 923 . 82 ILE CD1 C 13.870 . 1 924 . 82 ILE N N 121.240 . 1 925 . 83 ASN H H 7.852 . 1 926 . 83 ASN HA H 4.220 . 1 927 . 83 ASN HB2 H 2.890 . 2 928 . 83 ASN HB3 H 2.560 . 2 929 . 83 ASN HD21 H 7.520 . 2 930 . 83 ASN HD22 H 8.610 . 2 931 . 83 ASN C C 176.350 . 1 932 . 83 ASN CA C 57.971 . 1 933 . 83 ASN CB C 40.268 . 1 934 . 83 ASN N N 116.160 . 1 935 . 83 ASN ND2 N 120.500 . 1 936 . 84 ALA H H 8.136 . 1 937 . 84 ALA HA H 4.060 . 1 938 . 84 ALA HB H 1.480 . 1 939 . 84 ALA C C 180.100 . 1 940 . 84 ALA CA C 55.366 . 1 941 . 84 ALA CB C 18.120 . 1 942 . 84 ALA N N 120.280 . 1 943 . 85 LEU H H 7.986 . 1 944 . 85 LEU HA H 4.300 . 1 945 . 85 LEU HB2 H 1.900 . 2 946 . 85 LEU HB3 H 1.590 . 2 947 . 85 LEU HG H 1.290 . 1 948 . 85 LEU HD1 H 0.910 . 2 949 . 85 LEU HD2 H 0.620 . 2 950 . 85 LEU C C 177.380 . 1 951 . 85 LEU CA C 58.170 . 1 952 . 85 LEU CB C 41.570 . 1 953 . 85 LEU CG C 27.700 . 1 954 . 85 LEU CD1 C 23.020 . 1 955 . 85 LEU CD2 C 26.750 . 1 956 . 85 LEU N N 121.070 . 1 957 . 86 VAL H H 8.162 . 1 958 . 86 VAL HA H 3.590 . 1 959 . 86 VAL HB H 1.700 . 1 960 . 86 VAL HG1 H 0.080 . 2 961 . 86 VAL HG2 H 0.420 . 2 962 . 86 VAL C C 178.540 . 1 963 . 86 VAL CA C 66.796 . 1 964 . 86 VAL CB C 31.289 . 1 965 . 86 VAL CG1 C 22.100 . 1 966 . 86 VAL CG2 C 21.530 . 1 967 . 86 VAL N N 114.950 . 1 968 . 87 GLN H H 8.036 . 1 969 . 87 GLN HA H 4.470 . 1 970 . 87 GLN HB2 H 2.310 . 2 971 . 87 GLN HB3 H 2.200 . 2 972 . 87 GLN HG2 H 3.030 . 2 973 . 87 GLN HG3 H 2.590 . 2 974 . 87 GLN HE21 H 6.980 . 2 975 . 87 GLN HE22 H 7.320 . 2 976 . 87 GLN C C 180.600 . 1 977 . 87 GLN CA C 59.816 . 1 978 . 87 GLN CB C 28.697 . 1 979 . 87 GLN CG C 36.180 . 1 980 . 87 GLN N N 118.280 . 1 981 . 87 GLN NE2 N 110.320 . 1 982 . 88 GLU H H 8.720 . 1 983 . 88 GLU HA H 4.190 . 1 984 . 88 GLU HB2 H 2.380 . 1 985 . 88 GLU HB3 H 2.380 . 1 986 . 88 GLU HG2 H 2.500 . 2 987 . 88 GLU HG3 H 2.440 . 2 988 . 88 GLU C C 178.660 . 1 989 . 88 GLU CA C 59.742 . 1 990 . 88 GLU CB C 29.240 . 1 991 . 88 GLU CG C 36.370 . 1 992 . 88 GLU N N 125.820 . 1 993 . 89 LEU H H 8.191 . 1 994 . 89 LEU HA H 4.500 . 1 995 . 89 LEU HB2 H 2.300 . 2 996 . 89 LEU HB3 H 1.750 . 2 997 . 89 LEU HG H 2.000 . 1 998 . 89 LEU HD1 H 0.820 . 2 999 . 89 LEU HD2 H 0.740 . 2 1000 . 89 LEU C C 176.040 . 1 1001 . 89 LEU CA C 56.271 . 1 1002 . 89 LEU CB C 43.347 . 1 1003 . 89 LEU CG C 27.500 . 1 1004 . 89 LEU CD1 C 27.870 . 1 1005 . 89 LEU CD2 C 23.750 . 1 1006 . 89 LEU N N 117.040 . 1 1007 . 90 GLY H H 7.793 . 1 1008 . 90 GLY HA2 H 4.410 . 2 1009 . 90 GLY HA3 H 3.770 . 2 1010 . 90 GLY C C 176.060 . 1 1011 . 90 GLY CA C 45.110 . 1 1012 . 90 GLY N N 129.420 . 1 1013 . 91 PHE H H 7.952 . 1 1014 . 91 PHE HA H 4.510 . 1 1015 . 91 PHE HB2 H 2.940 . 2 1016 . 91 PHE HB3 H 2.820 . 2 1017 . 91 PHE HD1 H 7.850 . 1 1018 . 91 PHE HD2 H 7.850 . 1 1019 . 91 PHE HE1 H 7.200 . 1 1020 . 91 PHE HE2 H 7.200 . 1 1021 . 91 PHE HZ H 6.800 . 1 1022 . 91 PHE C C 175.410 . 1 1023 . 91 PHE CA C 59.225 . 1 1024 . 91 PHE CB C 39.211 . 1 1025 . 91 PHE CD1 C 133.300 . 1 1026 . 91 PHE CD2 C 133.300 . 1 1027 . 91 PHE CE1 C 130.300 . 1 1028 . 91 PHE CE2 C 130.300 . 1 1029 . 91 PHE CZ C 127.600 . 1 1030 . 91 PHE N N 118.990 . 1 1031 . 92 TYR H H 9.939 . 1 1032 . 92 TYR HA H 4.270 . 1 1033 . 92 TYR HB2 H 2.970 . 1 1034 . 92 TYR HB3 H 2.970 . 1 1035 . 92 TYR HD1 H 6.470 . 1 1036 . 92 TYR HD2 H 6.470 . 1 1037 . 92 TYR HE1 H 6.340 . 1 1038 . 92 TYR HE2 H 6.340 . 1 1039 . 92 TYR C C 173.050 . 1 1040 . 92 TYR CA C 58.710 . 1 1041 . 92 TYR CB C 39.910 . 1 1042 . 92 TYR CD1 C 132.730 . 1 1043 . 92 TYR CD2 C 132.730 . 1 1044 . 92 TYR CE1 C 117.260 . 1 1045 . 92 TYR CE2 C 117.260 . 1 1046 . 92 TYR N N 126.710 . 1 1047 . 93 ARG H H 7.484 . 1 1048 . 93 ARG HA H 3.910 . 1 1049 . 93 ARG HB2 H 1.440 . 2 1050 . 93 ARG HB3 H 1.150 . 2 1051 . 93 ARG HG2 H 1.170 . 2 1052 . 93 ARG HG3 H 0.480 . 2 1053 . 93 ARG HD2 H 2.780 . 1 1054 . 93 ARG HD3 H 2.780 . 1 1055 . 93 ARG C C 174.200 . 1 1056 . 93 ARG CA C 54.280 . 1 1057 . 93 ARG CB C 31.530 . 1 1058 . 93 ARG CG C 27.860 . 1 1059 . 93 ARG CD C 43.830 . 1 1060 . 93 ARG N N 130.120 . 1 1061 . 94 LYS H H 9.063 . 1 1062 . 94 LYS HA H 4.080 . 1 1063 . 94 LYS HB2 H 2.020 . 2 1064 . 94 LYS HB3 H 1.590 . 2 1065 . 94 LYS HG2 H 1.590 . 2 1066 . 94 LYS HG3 H 1.560 . 2 1067 . 94 LYS HD2 H 1.810 . 2 1068 . 94 LYS HD3 H 1.720 . 2 1069 . 94 LYS HE2 H 3.020 . 2 1070 . 94 LYS HE3 H 2.790 . 2 1071 . 94 LYS C C 176.450 . 1 1072 . 94 LYS CA C 55.902 . 1 1073 . 94 LYS CB C 35.250 . 1 1074 . 94 LYS CG C 25.990 . 1 1075 . 94 LYS CD C 30.030 . 1 1076 . 94 LYS CE C 42.310 . 1 1077 . 94 LYS N N 126.280 . 1 1078 . 95 SER H H 8.185 . 1 1079 . 95 SER HA H 4.020 . 1 1080 . 95 SER HB2 H 3.890 . 2 1081 . 95 SER HB3 H 3.870 . 2 1082 . 95 SER C C 173.910 . 1 1083 . 95 SER CA C 59.963 . 1 1084 . 95 SER CB C 63.139 . 1 1085 . 95 SER N N 112.210 . 1 1086 . 96 ALA H H 7.429 . 1 1087 . 96 ALA HA H 4.460 . 1 1088 . 96 ALA HB H 1.400 . 1 1089 . 96 ALA CA C 50.534 . 1 1090 . 96 ALA CB C 19.911 . 1 1091 . 96 ALA N N 121.050 . 1 1092 . 97 PRO HA H 4.090 . 1 1093 . 97 PRO HB2 H 2.290 . 2 1094 . 97 PRO HB3 H 1.940 . 2 1095 . 97 PRO HG2 H 2.190 . 2 1096 . 97 PRO HG3 H 1.690 . 2 1097 . 97 PRO HD2 H 3.770 . 2 1098 . 97 PRO HD3 H 3.680 . 2 1099 . 97 PRO C C 177.440 . 1 1100 . 97 PRO CA C 66.140 . 1 1101 . 97 PRO CB C 32.340 . 1 1102 . 97 PRO CG C 28.280 . 1 1103 . 97 PRO CD C 50.220 . 1 1104 . 98 GLU H H 8.813 . 1 1105 . 98 GLU HA H 4.460 . 1 1106 . 98 GLU HB2 H 2.170 . 2 1107 . 98 GLU HB3 H 1.980 . 2 1108 . 98 GLU HG2 H 2.260 . 2 1109 . 98 GLU HG3 H 2.180 . 2 1110 . 98 GLU C C 176.430 . 1 1111 . 98 GLU CA C 55.833 . 1 1112 . 98 GLU CB C 28.549 . 1 1113 . 98 GLU CG C 36.180 . 1 1114 . 98 GLU N N 113.090 . 1 1115 . 99 ALA H H 7.361 . 1 1116 . 99 ALA HA H 4.230 . 1 1117 . 99 ALA HB H 1.520 . 1 1118 . 99 ALA C C 176.850 . 1 1119 . 99 ALA CA C 52.458 . 1 1120 . 99 ALA CB C 20.750 . 1 1121 . 99 ALA N N 123.460 . 1 1122 . 100 GLN H H 8.408 . 1 1123 . 100 GLN HA H 4.260 . 1 1124 . 100 GLN HB2 H 1.970 . 2 1125 . 100 GLN HB3 H 1.930 . 2 1126 . 100 GLN HG2 H 2.350 . 1 1127 . 100 GLN HG3 H 2.350 . 1 1128 . 100 GLN HE21 H 6.870 . 2 1129 . 100 GLN HE22 H 7.570 . 2 1130 . 100 GLN C C 176.340 . 1 1131 . 100 GLN CA C 55.311 . 1 1132 . 100 GLN CB C 29.462 . 1 1133 . 100 GLN CG C 33.940 . 1 1134 . 100 GLN N N 119.020 . 1 1135 . 100 GLN NE2 N 112.910 . 1 1136 . 101 VAL H H 8.507 . 1 1137 . 101 VAL HA H 4.050 . 1 1138 . 101 VAL HB H 1.550 . 1 1139 . 101 VAL HG1 H 0.260 . 2 1140 . 101 VAL HG2 H 0.610 . 2 1141 . 101 VAL CA C 60.281 . 1 1142 . 101 VAL CB C 32.830 . 1 1143 . 101 VAL CG1 C 20.020 . 1 1144 . 101 VAL CG2 C 21.710 . 1 1145 . 101 VAL N N 127.760 . 1 1146 . 103 PRO HA H 4.080 . 1 1147 . 103 PRO HB2 H 2.380 . 2 1148 . 103 PRO HB3 H 1.950 . 2 1149 . 103 PRO HG2 H 2.160 . 2 1150 . 103 PRO HG3 H 2.060 . 2 1151 . 103 PRO HD2 H 3.790 . 1 1152 . 103 PRO HD3 H 3.790 . 1 1153 . 103 PRO C C 178.730 . 1 1154 . 103 PRO CA C 65.429 . 1 1155 . 103 PRO CB C 31.973 . 1 1156 . 103 PRO CG C 27.770 . 1 1157 . 103 PRO CD C 50.440 . 1 1158 . 104 GLU H H 9.544 . 1 1159 . 104 GLU HA H 4.040 . 1 1160 . 104 GLU HB2 H 1.680 . 2 1161 . 104 GLU HB3 H 1.640 . 2 1162 . 104 GLU HG2 H 1.890 . 2 1163 . 104 GLU HG3 H 1.740 . 2 1164 . 104 GLU C C 176.910 . 1 1165 . 104 GLU CA C 58.930 . 1 1166 . 104 GLU CB C 28.280 . 1 1167 . 104 GLU CG C 36.050 . 1 1168 . 104 GLU N N 116.220 . 1 1169 . 105 TYR H H 8.005 . 1 1170 . 105 TYR HA H 4.790 . 1 1171 . 105 TYR HB2 H 2.940 . 2 1172 . 105 TYR HB3 H 1.610 . 2 1173 . 105 TYR HD1 H 6.720 . 1 1174 . 105 TYR HD2 H 6.720 . 1 1175 . 105 TYR HE1 H 6.880 . 1 1176 . 105 TYR HE2 H 6.880 . 1 1177 . 105 TYR C C 175.600 . 1 1178 . 105 TYR CA C 57.708 . 1 1179 . 105 TYR CB C 39.730 . 1 1180 . 105 TYR CD1 C 132.760 . 1 1181 . 105 TYR CD2 C 132.760 . 1 1182 . 105 TYR CE1 C 118.110 . 1 1183 . 105 TYR CE2 C 118.110 . 1 1184 . 105 TYR N N 117.550 . 1 1185 . 106 LEU H H 7.068 . 1 1186 . 106 LEU HA H 3.650 . 1 1187 . 106 LEU HB2 H 1.400 . 2 1188 . 106 LEU HB3 H 1.100 . 2 1189 . 106 LEU HG H 1.240 . 1 1190 . 106 LEU HD1 H 0.760 . 2 1191 . 106 LEU HD2 H 0.600 . 2 1192 . 106 LEU C C 178.920 . 1 1193 . 106 LEU CA C 58.117 . 1 1194 . 106 LEU CB C 42.618 . 1 1195 . 106 LEU CG C 26.890 . 1 1196 . 106 LEU CD1 C 24.510 . 1 1197 . 106 LEU CD2 C 24.130 . 1 1198 . 106 LEU N N 119.700 . 1 1199 . 107 TRP H H 8.691 . 1 1200 . 107 TRP HA H 4.480 . 1 1201 . 107 TRP HB2 H 3.220 . 2 1202 . 107 TRP HB3 H 2.870 . 2 1203 . 107 TRP HD1 H 7.340 . 1 1204 . 107 TRP HE1 H 10.310 . 3 1205 . 107 TRP HE3 H 7.640 . 3 1206 . 107 TRP HZ2 H 7.500 . 3 1207 . 107 TRP HZ3 H 7.170 . 3 1208 . 107 TRP HH2 H 7.230 . 1 1209 . 107 TRP C C 176.360 . 1 1210 . 107 TRP CA C 57.231 . 1 1211 . 107 TRP CB C 29.090 . 1 1212 . 107 TRP CD1 C 127.000 . 3 1213 . 107 TRP CE3 C 120.400 . 3 1214 . 107 TRP CZ2 C 114.728 . 3 1215 . 107 TRP CZ3 C 122.000 . 3 1216 . 107 TRP CH2 C 124.600 . 1 1217 . 107 TRP N N 116.530 . 1 1218 . 107 TRP NE1 N 129.900 . 1 1219 . 108 ALA H H 7.684 . 1 1220 . 108 ALA HA H 4.530 . 1 1221 . 108 ALA HB H 1.880 . 1 1222 . 108 ALA CA C 52.509 . 1 1223 . 108 ALA CB C 17.616 . 1 1224 . 108 ALA N N 125.910 . 1 1225 . 109 PRO HA H 4.380 . 1 1226 . 109 PRO HB2 H 2.020 . 2 1227 . 109 PRO HB3 H 1.160 . 2 1228 . 109 PRO HG2 H 0.790 . 2 1229 . 109 PRO HG3 H 0.450 . 2 1230 . 109 PRO HD2 H 3.490 . 2 1231 . 109 PRO HD3 H 2.740 . 2 1232 . 109 PRO C C 175.430 . 1 1233 . 109 PRO CA C 63.856 . 1 1234 . 109 PRO CB C 34.880 . 1 1235 . 109 PRO CG C 24.400 . 1 1236 . 109 PRO CD C 50.550 . 1 1237 . 110 ALA H H 8.782 . 1 1238 . 110 ALA HA H 4.700 . 1 1239 . 110 ALA HB H 1.730 . 1 1240 . 110 ALA C C 176.630 . 1 1241 . 110 ALA CA C 52.253 . 1 1242 . 110 ALA CB C 20.139 . 1 1243 . 110 ALA N N 129.470 . 1 1244 . 111 LYS H H 8.088 . 1 1245 . 111 LYS HA H 4.580 . 1 1246 . 111 LYS HB2 H 1.770 . 2 1247 . 111 LYS HB3 H 1.580 . 2 1248 . 111 LYS HG2 H 1.490 . 1 1249 . 111 LYS HG3 H 1.490 . 1 1250 . 111 LYS HD2 H 1.640 . 1 1251 . 111 LYS HD3 H 1.640 . 1 1252 . 111 LYS HE2 H 2.930 . 1 1253 . 111 LYS HE3 H 2.930 . 1 1254 . 111 LYS CA C 53.756 . 1 1255 . 111 LYS CB C 32.270 . 1 1256 . 111 LYS CG C 25.050 . 1 1257 . 111 LYS CD C 28.990 . 1 1258 . 111 LYS CE C 42.340 . 1 1259 . 111 LYS N N 119.570 . 1 1260 . 112 PRO HA H 3.710 . 1 1261 . 112 PRO HB2 H 1.960 . 2 1262 . 112 PRO HB3 H 1.580 . 2 1263 . 112 PRO HG2 H 1.980 . 1 1264 . 112 PRO HG3 H 1.980 . 1 1265 . 112 PRO HD2 H 3.790 . 2 1266 . 112 PRO HD3 H 3.490 . 2 1267 . 112 PRO CA C 61.300 . 1 1268 . 112 PRO CB C 30.600 . 1 1269 . 112 PRO CG C 28.800 . 1 1270 . 112 PRO CD C 50.400 . 1 1271 . 113 PRO HA H 4.130 . 1 1272 . 113 PRO HB2 H 2.000 . 2 1273 . 113 PRO HB3 H 1.710 . 2 1274 . 113 PRO HG2 H 1.620 . 2 1275 . 113 PRO HG3 H 1.470 . 2 1276 . 113 PRO HD2 H 2.630 . 2 1277 . 113 PRO HD3 H 2.310 . 2 1278 . 113 PRO C C 176.990 . 1 1279 . 113 PRO CA C 62.945 . 1 1280 . 113 PRO CB C 31.814 . 1 1281 . 113 PRO CG C 27.260 . 1 1282 . 113 PRO CD C 49.610 . 1 1283 . 114 GLU H H 8.452 . 1 1284 . 114 GLU HA H 4.140 . 1 1285 . 114 GLU HB2 H 1.980 . 2 1286 . 114 GLU HB3 H 1.880 . 2 1287 . 114 GLU HG2 H 2.210 . 1 1288 . 114 GLU HG3 H 2.210 . 1 1289 . 114 GLU C C 176.670 . 1 1290 . 114 GLU CA C 56.934 . 1 1291 . 114 GLU CB C 30.177 . 1 1292 . 114 GLU CG C 36.520 . 1 1293 . 114 GLU N N 120.440 . 1 1294 . 115 GLU H H 8.243 . 1 1295 . 115 GLU HA H 4.240 . 1 1296 . 115 GLU HB2 H 2.020 . 2 1297 . 115 GLU HB3 H 1.870 . 2 1298 . 115 GLU HG2 H 2.200 . 1 1299 . 115 GLU HG3 H 2.200 . 1 1300 . 115 GLU C C 176.150 . 1 1301 . 115 GLU CA C 56.561 . 1 1302 . 115 GLU CB C 30.463 . 1 1303 . 115 GLU CG C 36.380 . 1 1304 . 115 GLU N N 121.010 . 1 1305 . 116 ALA H H 8.212 . 1 1306 . 116 ALA HA H 4.290 . 1 1307 . 116 ALA HB H 1.360 . 1 1308 . 116 ALA C C 177.630 . 1 1309 . 116 ALA CA C 52.726 . 1 1310 . 116 ALA CB C 19.418 . 1 1311 . 116 ALA N N 124.810 . 1 1312 . 117 SER H H 8.234 . 1 1313 . 117 SER HA H 4.430 . 1 1314 . 117 SER HB2 H 3.860 . 2 1315 . 117 SER HB3 H 3.820 . 2 1316 . 117 SER C C 174.730 . 1 1317 . 117 SER CA C 58.339 . 1 1318 . 117 SER CB C 64.025 . 1 1319 . 117 SER N N 115.010 . 1 1320 . 118 GLU H H 8.392 . 1 1321 . 118 GLU HA H 4.250 . 1 1322 . 118 GLU HB2 H 1.980 . 2 1323 . 118 GLU HB3 H 1.880 . 2 1324 . 118 GLU HG2 H 2.180 . 1 1325 . 118 GLU HG3 H 2.180 . 1 1326 . 118 GLU C C 176.280 . 1 1327 . 118 GLU CA C 57.000 . 1 1328 . 118 GLU CB C 30.127 . 1 1329 . 118 GLU CG C 36.330 . 1 1330 . 118 GLU N N 122.740 . 1 1331 . 119 HIS H H 8.204 . 1 1332 . 119 HIS HA H 4.670 . 1 1333 . 119 HIS HB2 H 3.170 . 2 1334 . 119 HIS HB3 H 3.060 . 2 1335 . 119 HIS C C 174.760 . 1 1336 . 119 HIS CA C 55.960 . 1 1337 . 119 HIS CB C 30.280 . 1 1338 . 119 HIS N N 119.360 . 1 1339 . 120 ASP H H 8.245 . 1 1340 . 120 ASP HA H 4.610 . 1 1341 . 120 ASP HB2 H 2.670 . 2 1342 . 120 ASP HB3 H 2.630 . 2 1343 . 120 ASP C C 175.900 . 1 1344 . 120 ASP CA C 54.570 . 1 1345 . 120 ASP CB C 41.500 . 1 1346 . 120 ASP N N 121.630 . 1 1347 . 121 ASP H H 8.370 . 1 1348 . 121 ASP HA H 4.610 . 1 1349 . 121 ASP HB2 H 2.730 . 2 1350 . 121 ASP HB3 H 2.660 . 2 1351 . 121 ASP C C 176.480 . 1 1352 . 121 ASP CA C 54.467 . 1 1353 . 121 ASP CB C 41.200 . 1 1354 . 121 ASP N N 120.830 . 1 1355 . 122 LEU H H 8.165 . 1 1356 . 122 LEU HA H 4.200 . 1 1357 . 122 LEU HB2 H 1.640 . 1 1358 . 122 LEU HB3 H 1.640 . 1 1359 . 122 LEU HG H 1.610 . 1 1360 . 122 LEU HD1 H 0.910 . 2 1361 . 122 LEU C C 177.820 . 1 1362 . 122 LEU CA C 55.823 . 1 1363 . 122 LEU CB C 42.340 . 1 1364 . 122 LEU CG C 27.310 . 1 1365 . 122 LEU CD1 C 23.200 . 1 1366 . 122 LEU CD2 C 26.750 . 1 1367 . 122 LEU N N 121.700 . 1 1368 . 123 GLU H H 8.370 . 1 1369 . 123 GLU HA H 4.140 . 1 1370 . 123 GLU HB2 H 1.880 . 1 1371 . 123 GLU HB3 H 1.880 . 1 1372 . 123 GLU HG2 H 2.180 . 2 1373 . 123 GLU HG3 H 2.110 . 2 1374 . 123 GLU C C 176.510 . 1 1375 . 123 GLU CA C 56.999 . 1 1376 . 123 GLU CB C 30.088 . 1 1377 . 123 GLU CG C 36.370 . 1 1378 . 123 GLU N N 120.830 . 1 1379 . 124 HIS H H 8.165 . 1 1380 . 124 HIS HA H 4.590 . 1 1381 . 124 HIS HB2 H 3.030 . 2 1382 . 124 HIS HB3 H 3.000 . 2 1383 . 124 HIS C C 174.030 . 1 1384 . 124 HIS CA C 56.148 . 1 1385 . 124 HIS CB C 30.400 . 1 1386 . 124 HIS N N 121.370 . 1 1387 . 125 HIS H H 8.202 . 1 1388 . 125 HIS HA H 4.440 . 1 1389 . 125 HIS HB2 H 3.180 . 2 1390 . 125 HIS HB3 H 3.040 . 2 1391 . 125 HIS CA C 57.370 . 1 1392 . 125 HIS CB C 30.977 . 1 1393 . 125 HIS N N 119.710 . 1 1394 . 126 HIS H H 8.089 . 1 1395 . 126 HIS N N 118.580 . 1 1396 . 127 HIS H H 8.031 . 1 1397 . 127 HIS N N 125.430 . 1 stop_ save_