data_15736 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full length human frataxin ; _BMRB_accession_number 15736 _BMRB_flat_file_name bmr15736.str _Entry_type original _Submission_date 2008-04-17 _Accession_date 2008-04-17 _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 Kondapalli Kalyan C. . 2 Bencze Krisztina Z. . 3 Dizen Eric . . 4 Cowan James A. . 5 Stemmler Timothy L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 569 "13C chemical shifts" 584 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-12 original author . stop_ _Original_release_date 2009-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, C13, 15N Resonace assignments for full-length human frataxin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kondapalli Kalyan C. . 2 Bencze Krisztina Z. . 3 Dizen Eric A. . 4 Cowan James . . 5 Stemmler Timothy L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Full-length Human frataxin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Full-length human frataxin' $Full-length_Human_frataxin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Full-length_Human_frataxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Full-length_Human_frataxin _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MDIDATCTPRRASSNQRGLN QIWNVKKQSVYLMNLRKSGT LGHPGSLDETTYERLAEETL DSLAEFFEDLADKPYTFEDY DVSFGSGVLTVKLGGDLGTY VINKQTPNKQIWLSSPSSGP KRYDWTGKNWVYSHDGVSLH ELLAAELTKALKTKLDLSSL AYSGKDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 HIS 21 1 MET 22 2 ASP 23 3 ILE 24 4 ASP 25 5 ALA 26 6 THR 27 7 CYS 28 8 THR 29 9 PRO 30 10 ARG 31 11 ARG 32 12 ALA 33 13 SER 34 14 SER 35 15 ASN 36 16 GLN 37 17 ARG 38 18 GLY 39 19 LEU 40 20 ASN 41 21 GLN 42 22 ILE 43 23 TRP 44 24 ASN 45 25 VAL 46 26 LYS 47 27 LYS 48 28 GLN 49 29 SER 50 30 VAL 51 31 TYR 52 32 LEU 53 33 MET 54 34 ASN 55 35 LEU 56 36 ARG 57 37 LYS 58 38 SER 59 39 GLY 60 40 THR 61 41 LEU 62 42 GLY 63 43 HIS 64 44 PRO 65 45 GLY 66 46 SER 67 47 LEU 68 48 ASP 69 49 GLU 70 50 THR 71 51 THR 72 52 TYR 73 53 GLU 74 54 ARG 75 55 LEU 76 56 ALA 77 57 GLU 78 58 GLU 79 59 THR 80 60 LEU 81 61 ASP 82 62 SER 83 63 LEU 84 64 ALA 85 65 GLU 86 66 PHE 87 67 PHE 88 68 GLU 89 69 ASP 90 70 LEU 91 71 ALA 92 72 ASP 93 73 LYS 94 74 PRO 95 75 TYR 96 76 THR 97 77 PHE 98 78 GLU 99 79 ASP 100 80 TYR 101 81 ASP 102 82 VAL 103 83 SER 104 84 PHE 105 85 GLY 106 86 SER 107 87 GLY 108 88 VAL 109 89 LEU 110 90 THR 111 91 VAL 112 92 LYS 113 93 LEU 114 94 GLY 115 95 GLY 116 96 ASP 117 97 LEU 118 98 GLY 119 99 THR 120 100 TYR 121 101 VAL 122 102 ILE 123 103 ASN 124 104 LYS 125 105 GLN 126 106 THR 127 107 PRO 128 108 ASN 129 109 LYS 130 110 GLN 131 111 ILE 132 112 TRP 133 113 LEU 134 114 SER 135 115 SER 136 116 PRO 137 117 SER 138 118 SER 139 119 GLY 140 120 PRO 141 121 LYS 142 122 ARG 143 123 TYR 144 124 ASP 145 125 TRP 146 126 THR 147 127 GLY 148 128 LYS 149 129 ASN 150 130 TRP 151 131 VAL 152 132 TYR 153 133 SER 154 134 HIS 155 135 ASP 156 136 GLY 157 137 VAL 158 138 SER 159 139 LEU 160 140 HIS 161 141 GLU 162 142 LEU 163 143 LEU 164 144 ALA 165 145 ALA 166 146 GLU 167 147 LEU 168 148 THR 169 149 LYS 170 150 ALA 171 151 LEU 172 152 LYS 173 153 THR 174 154 LYS 175 155 LEU 176 156 ASP 177 157 LEU 178 158 SER 179 159 SER 180 160 LEU 181 161 ALA 182 162 TYR 183 163 SER 184 164 GLY 185 165 LYS 186 166 ASP 187 167 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15233 hfraG130V 65.78 123 97.56 99.19 1.03e-79 BMRB 15234 hfraD122Y 65.78 123 97.56 99.19 2.00e-79 BMRB 15235 hfraW155R 65.78 123 97.56 99.19 4.15e-79 BMRB 15906 Frataxin 64.71 121 99.17 100.00 1.01e-79 BMRB 16581 Frataxin 64.71 121 99.17 100.00 1.01e-79 BMRB 4342 Frataxin 64.71 122 99.17 100.00 1.57e-79 PDB 1EKG "Mature Human Frataxin" 66.84 127 99.20 99.20 5.37e-82 PDB 1LY7 "The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia" 64.17 121 100.00 100.00 2.68e-79 PDB 3S4M "Crystal Structure Of Wild-Type Human Frataxin" 68.98 129 100.00 100.00 3.94e-86 PDB 3S5D "Crystal Structure Of Human Frataxin Variant W155a" 68.98 129 99.22 99.22 1.04e-84 PDB 3S5E "Crystal Structure Of Human Frataxin Variant W155r, One Of The Friedreich's Ataxia Point Mutations" 68.98 129 99.22 99.22 1.36e-84 PDB 3S5F "Crystal Structure Of Human Frataxin Variant W155f" 68.98 129 99.22 100.00 3.06e-85 PDB 3T3J "1.70 A Structure Of Friedreich's Ataxia Frataxin Variant N146k" 68.98 129 99.22 99.22 2.52e-85 PDB 3T3K "1.24 A Structure Of Friedreich's Ataxia Frataxin Variant Q148r" 68.98 129 99.22 100.00 2.78e-85 PDB 3T3L "1.15 A Structure Of Human Frataxin Variant Q153a" 68.98 129 99.22 99.22 2.72e-85 PDB 3T3T "1.38 A Structure Of Human Frataxin Variant Q148g" 68.98 129 99.22 99.22 9.21e-85 PDB 3T3X "1.57 A Structure Of Friedreich's Ataxia Frataxin Variant R165c" 68.98 129 99.22 99.22 8.72e-85 GB AAA98508 "frataxin [Homo sapiens]" 91.44 210 97.08 97.66 2.20e-116 GB AAA98509 "frataxin [Homo sapiens]" 64.71 171 97.52 97.52 3.07e-79 GB AAA98510 "frataxin [Homo sapiens]" 91.44 210 97.08 97.66 2.20e-116 GB AAH23633 "Frataxin [Homo sapiens]" 91.44 210 98.25 98.25 4.75e-118 GB AAH48097 "Frataxin [Homo sapiens]" 91.44 210 98.25 98.25 4.75e-118 REF NP_000135 "frataxin, mitochondrial isoform 1 preproprotein [Homo sapiens]" 91.44 210 98.25 98.25 4.75e-118 REF NP_001155178 "frataxin, mitochondrial isoform 3 preproprotein [Homo sapiens]" 64.71 171 97.52 97.52 3.07e-79 REF NP_852090 "frataxin, mitochondrial isoform 2 preproprotein [Homo sapiens]" 64.71 196 97.52 97.52 9.17e-80 REF XP_010344443 "PREDICTED: frataxin, mitochondrial [Saimiri boliviensis boliviensis]" 82.89 173 97.42 98.06 2.72e-103 REF XP_011804278 "PREDICTED: frataxin, mitochondrial [Colobus angolensis palliatus]" 72.19 135 97.78 98.52 1.22e-88 SP Q16595 "RecName: Full=Frataxin, mitochondrial; AltName: Full=Friedreich ataxia protein; Short=Fxn; Contains: RecName: Full=Frataxin int" 91.44 210 98.25 98.25 4.75e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Full-length_Human_frataxin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Full-length_Human_frataxin 'recombinant technology' . Escherichia coli . 'pET 28b' 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 $Full-length_Human_frataxin 1 mM [U-15N] 'potassium phosphate' 100 mM [U-13C] D2O 30 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Full-length human frataxin' _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 21 MET CA C 55.371 . 1 2 1 21 MET CB C 32.986 . 1 3 1 21 MET CE C 17.560 . 1 4 1 21 MET CG C 31.905 . 1 5 2 22 ASP H H 8.279 . 1 6 2 22 ASP HA H 4.583 . 1 7 2 22 ASP HB2 H 2.679 . 2 8 2 22 ASP HB3 H 2.532 . 2 9 2 22 ASP C C 175.598 . 1 10 2 22 ASP CA C 54.486 . 1 11 2 22 ASP CB C 41.177 . 1 12 2 22 ASP N N 123.958 . 1 13 3 23 ILE H H 7.983 . 1 14 3 23 ILE HB H 1.810 . 1 15 3 23 ILE HD1 H 0.216 . 1 16 3 23 ILE HG12 H 1.127 . 2 17 3 23 ILE C C 176.222 . 1 18 3 23 ILE CA C 61.461 . 1 19 3 23 ILE CB C 39.030 . 1 20 3 23 ILE CD1 C 14.184 . 1 21 3 23 ILE CG1 C 27.232 . 1 22 3 23 ILE CG2 C 17.645 . 1 23 3 23 ILE N N 122.607 . 1 24 4 24 ASP H H 8.291 . 1 25 4 24 ASP HA H 4.571 . 1 26 4 24 ASP HB2 H 2.701 . 2 27 4 24 ASP HB3 H 2.588 . 2 28 4 24 ASP C C 175.946 . 1 29 4 24 ASP CA C 54.496 . 1 30 4 24 ASP CB C 41.191 . 1 31 4 24 ASP N N 125.725 . 1 32 5 25 ALA H H 8.213 . 1 33 5 25 ALA HA H 4.290 . 1 34 5 25 ALA HB H 1.378 . 1 35 5 25 ALA C C 176.251 . 1 36 5 25 ALA CA C 52.929 . 1 37 5 25 ALA CB C 19.309 . 1 38 5 25 ALA N N 127.078 . 1 39 6 26 THR H H 8.193 . 1 40 6 26 THR HA H 4.264 . 1 41 6 26 THR HG2 H 1.179 . 1 42 6 26 THR C C 178.199 . 1 43 6 26 THR CA C 62.445 . 1 44 6 26 THR CB C 69.724 . 1 45 6 26 THR N N 114.172 . 1 46 9 29 PRO CA C 63.154 . 1 47 9 29 PRO CB C 32.223 . 1 48 9 29 PRO CD C 51.270 . 1 49 9 29 PRO CG C 27.473 . 1 50 10 30 ARG H H 8.440 . 1 51 10 30 ARG HA H 4.251 . 1 52 10 30 ARG HB2 H 1.802 . 2 53 10 30 ARG HB3 H 1.723 . 2 54 10 30 ARG HG2 H 1.629 . 2 55 10 30 ARG C C 176.828 . 1 56 10 30 ARG CA C 56.090 . 1 57 10 30 ARG CB C 30.792 . 1 58 10 30 ARG CD C 43.412 . 1 59 10 30 ARG CG C 27.145 . 1 60 10 30 ARG N N 124.196 . 1 61 11 31 ARG H H 7.952 . 1 62 11 31 ARG HA H 4.120 . 1 63 11 31 ARG HB2 H 1.791 . 2 64 11 31 ARG HB3 H 1.658 . 2 65 11 31 ARG HD2 H 3.128 . 2 66 11 31 ARG HG2 H 1.532 . 2 67 11 31 ARG C C 175.435 . 1 68 11 31 ARG CA C 57.429 . 1 69 11 31 ARG CB C 31.564 . 1 70 11 31 ARG N N 129.938 . 1 71 14 34 SER CA C 58.285 . 1 72 14 34 SER CB C 64.074 . 1 73 15 35 ASN H H 8.100 . 1 74 15 35 ASN HA H 4.452 . 1 75 15 35 ASN HB2 H 2.723 . 2 76 15 35 ASN HB3 H 2.631 . 2 77 15 35 ASN C C 173.269 . 1 78 15 35 ASN CA C 55.036 . 1 79 15 35 ASN CB C 40.880 . 1 80 15 35 ASN N N 128.012 . 1 81 16 36 GLN CA C 56.019 . 1 82 16 36 GLN CB C 29.501 . 1 83 16 36 GLN CG C 33.864 . 1 84 17 37 ARG H H 7.973 . 1 85 17 37 ARG HA H 4.120 . 1 86 17 37 ARG HB2 H 1.791 . 2 87 17 37 ARG HB3 H 1.663 . 2 88 17 37 ARG HD2 H 3.123 . 2 89 17 37 ARG HG2 H 1.532 . 2 90 17 37 ARG C C 174.929 . 1 91 17 37 ARG CA C 56.087 . 1 92 17 37 ARG CB C 31.409 . 1 93 17 37 ARG N N 130.111 . 1 94 18 38 GLY H H 8.364 . 1 95 18 38 GLY C C 176.844 . 1 96 18 38 GLY N N 111.841 . 1 97 19 39 LEU H H 7.983 . 1 98 19 39 LEU HA H 4.070 . 1 99 19 39 LEU HB2 H 1.818 . 2 100 19 39 LEU HD1 H 0.844 . 2 101 19 39 LEU HG H 1.506 . 1 102 19 39 LEU C C 173.266 . 1 103 19 39 LEU CA C 55.190 . 1 104 19 39 LEU CB C 42.432 . 1 105 19 39 LEU N N 123.653 . 1 106 21 41 GLN CA C 55.719 . 1 107 21 41 GLN CB C 29.474 . 1 108 21 41 GLN CG C 33.628 . 1 109 22 42 ILE H H 7.900 . 1 110 22 42 ILE HA H 3.793 . 1 111 22 42 ILE HB H 1.583 . 1 112 22 42 ILE HG12 H 1.226 . 2 113 22 42 ILE C C 175.105 . 1 114 22 42 ILE CA C 61.069 . 1 115 22 42 ILE CB C 38.733 . 1 116 22 42 ILE CD1 C 73.739 . 1 117 22 42 ILE CG1 C 26.911 . 1 118 22 42 ILE CG2 C 17.460 . 1 119 22 42 ILE N N 123.776 . 1 120 23 43 TRP H H 7.627 . 1 121 23 43 TRP HA H 4.492 . 1 122 23 43 TRP HB2 H 3.275 . 2 123 23 43 TRP HB3 H 3.072 . 2 124 23 43 TRP HE1 H 9.964 . 1 125 23 43 TRP HE3 H 9.964 . 1 126 23 43 TRP HZ2 H 6.154 . 1 127 23 43 TRP HZ3 H 6.350 . 1 128 23 43 TRP C C 174.873 . 1 129 23 43 TRP CA C 58.338 . 1 130 23 43 TRP CB C 30.439 . 1 131 23 43 TRP N N 132.301 . 1 132 23 43 TRP NE1 N 130.689 . 1 133 24 44 ASN H H 8.369 . 1 134 24 44 ASN HB2 H 2.690 . 2 135 24 44 ASN HD21 H 6.736 . 2 136 24 44 ASN HD22 H 6.736 . 2 137 24 44 ASN N N 128.438 . 1 138 24 44 ASN ND2 N 113.820 . 1 139 25 45 VAL H H 7.829 . 1 140 25 45 VAL CA C 62.187 . 1 141 25 45 VAL CB C 32.878 . 1 142 25 45 VAL CG1 C 21.116 . 2 143 25 45 VAL CG2 C 20.451 . 2 144 25 45 VAL N N 122.404 . 1 145 26 46 LYS H H 7.927 . 1 146 26 46 LYS HA H 4.112 . 1 147 26 46 LYS HB2 H 1.752 . 2 148 26 46 LYS HD2 H 1.661 . 2 149 26 46 LYS HG2 H 1.339 . 2 150 26 46 LYS C C 175.224 . 1 151 26 46 LYS CA C 57.733 . 1 152 26 46 LYS CB C 33.817 . 1 153 26 46 LYS CD C 29.136 . 1 154 26 46 LYS CE C 42.085 . 1 155 26 46 LYS CG C 24.690 . 1 156 26 46 LYS N N 132.180 . 1 157 27 47 LYS H H 7.957 . 1 158 27 47 LYS HA H 4.096 . 1 159 27 47 LYS HB2 H 1.747 . 2 160 27 47 LYS HD2 H 1.634 . 2 161 27 47 LYS HG2 H 1.341 . 2 162 27 47 LYS C C 175.421 . 1 163 27 47 LYS CA C 57.688 . 1 164 27 47 LYS CB C 33.869 . 1 165 27 47 LYS N N 131.303 . 1 166 29 49 SER CA C 58.274 . 1 167 29 49 SER CB C 63.813 . 1 168 30 50 VAL H H 8.076 . 1 169 30 50 VAL HA H 4.332 . 1 170 30 50 VAL HB H 1.990 . 1 171 30 50 VAL HG1 H 0.865 . 2 172 30 50 VAL C C 174.169 . 1 173 30 50 VAL CA C 62.378 . 1 174 30 50 VAL CB C 32.888 . 1 175 30 50 VAL CG1 C 21.189 . 2 176 30 50 VAL CG2 C 20.131 . 2 177 30 50 VAL N N 123.810 . 1 178 31 51 TYR H H 7.674 . 1 179 31 51 TYR HA H 4.363 . 1 180 31 51 TYR HB2 H 3.032 . 2 181 31 51 TYR HB3 H 2.782 . 2 182 31 51 TYR HD1 H 6.651 . 3 183 31 51 TYR HD2 H 6.588 . 3 184 31 51 TYR HE1 H 6.402 . 3 185 31 51 TYR HE2 H 6.310 . 3 186 31 51 TYR C C 174.775 . 1 187 31 51 TYR CA C 59.163 . 1 188 31 51 TYR CB C 39.753 . 1 189 31 51 TYR N N 130.191 . 1 190 32 52 LEU CA C 55.282 . 1 191 32 52 LEU CB C 42.466 . 1 192 32 52 LEU CD1 C 24.889 . 2 193 32 52 LEU CD2 C 23.564 . 2 194 32 52 LEU CG C 26.967 . 1 195 33 53 MET H H 7.742 . 1 196 33 53 MET HA H 4.217 . 1 197 33 53 MET HB2 H 1.943 . 2 198 33 53 MET HE H 0.829 . 1 199 33 53 MET C C 176.101 . 1 200 33 53 MET CA C 58.973 . 1 201 33 53 MET CB C 34.338 . 1 202 33 53 MET N N 121.178 . 1 203 35 55 LEU CA C 56.234 . 1 204 35 55 LEU CB C 42.441 . 1 205 35 55 LEU CD1 C 24.839 . 2 206 35 55 LEU CD2 C 23.730 . 2 207 35 55 LEU CG C 27.216 . 1 208 36 56 ARG H H 8.374 . 1 209 36 56 ARG C C 177.473 . 1 210 36 56 ARG CA C 56.210 . 1 211 36 56 ARG CB C 30.714 . 1 212 36 56 ARG N N 123.925 . 1 213 38 58 SER CA C 58.764 . 1 214 38 58 SER CB C 63.803 . 1 215 39 59 GLY H H 8.349 . 1 216 39 59 GLY C C 175.001 . 1 217 39 59 GLY N N 112.596 . 1 218 40 60 THR H H 8.090 . 1 219 40 60 THR CA C 61.952 . 1 220 40 60 THR CB C 69.758 . 1 221 40 60 THR CG2 C 21.753 . 1 222 40 60 THR N N 115.966 . 1 223 41 61 LEU H H 8.282 . 1 224 41 61 LEU HA H 4.334 . 1 225 41 61 LEU HB2 H 1.634 . 2 226 41 61 LEU HB3 H 1.561 . 2 227 41 61 LEU C C 174.662 . 1 228 41 61 LEU CA C 55.409 . 1 229 41 61 LEU CB C 42.451 . 1 230 41 61 LEU CD1 C 25.071 . 2 231 41 61 LEU CD2 C 23.672 . 2 232 41 61 LEU CG C 27.025 . 1 233 41 61 LEU N N 126.518 . 1 234 42 62 GLY H H 8.297 . 1 235 42 62 GLY HA2 H 3.866 . 2 236 42 62 GLY C C 177.604 . 1 237 42 62 GLY CA C 45.018 . 1 238 42 62 GLY N N 111.348 . 1 239 43 63 HIS H H 8.148 . 1 240 43 63 HIS C C 173.362 . 1 241 43 63 HIS CA C 54.534 . 1 242 43 63 HIS CB C 30.825 . 1 243 43 63 HIS N N 123.034 . 1 244 44 64 PRO CA C 64.033 . 1 245 44 64 PRO CB C 31.993 . 1 246 44 64 PRO CD C 50.761 . 1 247 44 64 PRO CG C 27.480 . 1 248 45 65 GLY H H 8.755 . 1 249 45 65 GLY C C 177.470 . 1 250 45 65 GLY CA C 45.348 . 1 251 45 65 GLY N N 111.528 . 1 252 46 66 SER H H 8.063 . 1 253 46 66 SER HA H 4.486 . 1 254 46 66 SER HB2 H 3.845 . 2 255 46 66 SER C C 174.227 . 1 256 46 66 SER CA C 58.279 . 1 257 46 66 SER CB C 64.004 . 1 258 46 66 SER N N 117.649 . 1 259 47 67 LEU H H 8.239 . 1 260 47 67 LEU HA H 4.439 . 1 261 47 67 LEU HB2 H 1.668 . 2 262 47 67 LEU C C 175.367 . 1 263 47 67 LEU CA C 55.117 . 1 264 47 67 LEU CB C 44.379 . 1 265 47 67 LEU CD1 C 24.880 . 2 266 47 67 LEU CD2 C 23.515 . 2 267 47 67 LEU CG C 27.009 . 1 268 47 67 LEU N N 126.548 . 1 269 48 68 ASP H H 8.014 . 1 270 48 68 ASP C C 177.036 . 1 271 48 68 ASP CA C 52.558 . 1 272 48 68 ASP CB C 42.402 . 1 273 48 68 ASP N N 124.556 . 1 274 49 69 GLU H H 8.851 . 1 275 49 69 GLU HA H 3.772 . 1 276 49 69 GLU C C 176.010 . 1 277 49 69 GLU CA C 61.367 . 1 278 49 69 GLU CB C 30.072 . 1 279 49 69 GLU CG C 37.266 . 1 280 49 69 GLU N N 122.491 . 1 281 50 70 THR H H 8.177 . 1 282 50 70 THR HA H 3.989 . 1 283 50 70 THR HB H 4.130 . 1 284 50 70 THR HG1 H 5.442 . 1 285 50 70 THR HG2 H 1.028 . 1 286 50 70 THR C C 177.948 . 1 287 50 70 THR CA C 66.191 . 1 288 50 70 THR CB C 68.519 . 1 289 50 70 THR CG2 C 22.058 . 1 290 50 70 THR N N 116.607 . 1 291 51 71 THR H H 8.343 . 1 292 51 71 THR HA H 3.781 . 1 293 51 71 THR HB H 3.980 . 1 294 51 71 THR C C 177.033 . 1 295 51 71 THR CA C 66.785 . 1 296 51 71 THR CB C 68.313 . 1 297 51 71 THR CG2 C 21.776 . 1 298 51 71 THR N N 122.721 . 1 299 52 72 TYR H H 8.362 . 1 300 52 72 TYR HA H 3.677 . 1 301 52 72 TYR C C 175.784 . 1 302 52 72 TYR CA C 62.479 . 1 303 52 72 TYR CB C 37.595 . 1 304 52 72 TYR N N 122.146 . 1 305 53 73 GLU H H 8.243 . 1 306 53 73 GLU HA H 3.428 . 1 307 53 73 GLU HB2 H 2.106 . 2 308 53 73 GLU HG2 H 2.406 . 2 309 53 73 GLU C C 175.159 . 1 310 53 73 GLU CA C 60.204 . 1 311 53 73 GLU CB C 29.432 . 1 312 53 73 GLU CG C 36.654 . 1 313 53 73 GLU N N 120.373 . 1 314 54 74 ARG H H 7.215 . 1 315 54 74 ARG HA H 4.045 . 1 316 54 74 ARG HB2 H 1.829 . 2 317 54 74 ARG HD2 H 3.798 . 2 318 54 74 ARG HG2 H 1.668 . 2 319 54 74 ARG HG3 H 1.557 . 2 320 54 74 ARG C C 178.244 . 1 321 54 74 ARG CA C 59.235 . 1 322 54 74 ARG CB C 30.000 . 1 323 54 74 ARG CD C 43.410 . 1 324 54 74 ARG CG C 27.124 . 1 325 54 74 ARG N N 119.870 . 1 326 55 75 LEU H H 8.017 . 1 327 55 75 LEU HA H 3.660 . 1 328 55 75 LEU HB2 H 1.217 . 2 329 55 75 LEU HG H 1.476 . 1 330 55 75 LEU C C 178.389 . 1 331 55 75 LEU CA C 57.676 . 1 332 55 75 LEU CB C 42.481 . 1 333 55 75 LEU CD1 C 24.517 . 2 334 55 75 LEU CD2 C 21.784 . 2 335 55 75 LEU CG C 25.808 . 1 336 55 75 LEU N N 121.059 . 1 337 56 76 ALA H H 9.157 . 1 338 56 76 ALA HA H 3.572 . 1 339 56 76 ALA HB H 0.711 . 1 340 56 76 ALA C C 181.412 . 1 341 56 76 ALA CA C 55.749 . 1 342 56 76 ALA CB C 17.559 . 1 343 56 76 ALA N N 126.413 . 1 344 57 77 GLU H H 8.086 . 1 345 57 77 GLU HA H 3.914 . 1 346 57 77 GLU HB2 H 2.219 . 2 347 57 77 GLU HB3 H 2.121 . 2 348 57 77 GLU HG2 H 2.383 . 2 349 57 77 GLU C C 179.077 . 1 350 57 77 GLU CA C 60.202 . 1 351 57 77 GLU CB C 29.138 . 1 352 57 77 GLU CG C 36.505 . 1 353 57 77 GLU N N 120.282 . 1 354 58 78 GLU H H 8.377 . 1 355 58 78 GLU HA H 4.153 . 1 356 58 78 GLU HB2 H 2.375 . 2 357 58 78 GLU HB3 H 2.171 . 2 358 58 78 GLU HG2 H 2.698 . 2 359 58 78 GLU C C 178.740 . 1 360 58 78 GLU CA C 59.940 . 1 361 58 78 GLU CB C 31.105 . 1 362 58 78 GLU CG C 36.952 . 1 363 58 78 GLU N N 120.108 . 1 364 59 79 THR H H 8.216 . 1 365 59 79 THR HA H 4.145 . 1 366 59 79 THR HG1 H 5.350 . 1 367 59 79 THR HG2 H 1.151 . 1 368 59 79 THR C C 180.763 . 1 369 59 79 THR CA C 67.943 . 1 370 59 79 THR CB C 68.783 . 1 371 59 79 THR CG2 C 19.582 . 1 372 59 79 THR N N 118.058 . 1 373 60 80 LEU H H 8.475 . 1 374 60 80 LEU HA H 3.788 . 1 375 60 80 LEU C C 177.098 . 1 376 60 80 LEU CA C 58.554 . 1 377 60 80 LEU CB C 41.355 . 1 378 60 80 LEU CD1 C 25.767 . 2 379 60 80 LEU CD2 C 23.432 . 2 380 60 80 LEU CG C 27.779 . 1 381 60 80 LEU N N 125.032 . 1 382 61 81 ASP H H 8.941 . 1 383 61 81 ASP HA H 4.259 . 1 384 61 81 ASP HB2 H 2.819 . 2 385 61 81 ASP HB3 H 2.622 . 2 386 61 81 ASP C C 177.349 . 1 387 61 81 ASP CA C 57.697 . 1 388 61 81 ASP CB C 41.260 . 1 389 61 81 ASP N N 122.596 . 1 390 62 82 SER H H 7.240 . 1 391 62 82 SER HA H 4.302 . 1 392 62 82 SER HB2 H 4.219 . 2 393 62 82 SER HB3 H 4.136 . 2 394 62 82 SER C C 178.616 . 1 395 62 82 SER CA C 61.123 . 1 396 62 82 SER CB C 63.945 . 1 397 62 82 SER N N 114.375 . 1 398 63 83 LEU H H 7.518 . 1 399 63 83 LEU HA H 3.972 . 1 400 63 83 LEU HB2 H 1.970 . 2 401 63 83 LEU HB3 H 1.159 . 2 402 63 83 LEU HG H 1.862 . 1 403 63 83 LEU C C 178.290 . 1 404 63 83 LEU CA C 58.144 . 1 405 63 83 LEU CB C 42.930 . 1 406 63 83 LEU CD1 C 24.550 . 2 407 63 83 LEU CG C 26.280 . 1 408 63 83 LEU N N 121.257 . 1 409 64 84 ALA H H 8.881 . 1 410 64 84 ALA HA H 3.730 . 1 411 64 84 ALA HB H 0.837 . 1 412 64 84 ALA C C 177.714 . 1 413 64 84 ALA CA C 56.432 . 1 414 64 84 ALA CB C 17.728 . 1 415 64 84 ALA N N 124.605 . 1 416 65 85 GLU H H 7.736 . 1 417 65 85 GLU HA H 3.967 . 1 418 65 85 GLU HB2 H 2.151 . 2 419 65 85 GLU HG2 H 2.413 . 2 420 65 85 GLU C C 179.082 . 1 421 65 85 GLU CA C 59.531 . 1 422 65 85 GLU CB C 29.835 . 1 423 65 85 GLU CG C 36.397 . 1 424 65 85 GLU N N 119.661 . 1 425 66 86 PHE H H 7.599 . 1 426 66 86 PHE HA H 4.116 . 1 427 66 86 PHE HB2 H 3.118 . 2 428 66 86 PHE C C 178.727 . 1 429 66 86 PHE CA C 61.258 . 1 430 66 86 PHE CB C 39.287 . 1 431 66 86 PHE N N 123.023 . 1 432 67 87 PHE H H 8.759 . 1 433 67 87 PHE HA H 4.103 . 1 434 67 87 PHE HB2 H 3.236 . 2 435 67 87 PHE HB3 H 2.776 . 2 436 67 87 PHE C C 177.543 . 1 437 67 87 PHE CA C 62.659 . 1 438 67 87 PHE CB C 38.054 . 1 439 67 87 PHE N N 119.000 . 1 440 68 88 GLU H H 9.216 . 1 441 68 88 GLU HA H 4.201 . 1 442 68 88 GLU HB2 H 2.199 . 2 443 68 88 GLU HB3 H 2.063 . 2 444 68 88 GLU HG2 H 2.476 . 2 445 68 88 GLU C C 181.088 . 1 446 68 88 GLU CA C 60.221 . 1 447 68 88 GLU CB C 29.270 . 1 448 68 88 GLU CG C 36.488 . 1 449 68 88 GLU N N 126.754 . 1 450 69 89 ASP H H 7.729 . 1 451 69 89 ASP HA H 4.388 . 1 452 69 89 ASP HB2 H 2.675 . 2 453 69 89 ASP HB3 H 2.537 . 2 454 69 89 ASP C C 179.622 . 1 455 69 89 ASP CA C 56.486 . 1 456 69 89 ASP CB C 41.391 . 1 457 69 89 ASP N N 122.359 . 1 458 70 90 LEU H H 7.205 . 1 459 70 90 LEU HA H 3.783 . 1 460 70 90 LEU HB2 H 2.305 . 2 461 70 90 LEU HB3 H 2.219 . 2 462 70 90 LEU HD1 H 1.235 . 2 463 70 90 LEU HG H 1.527 . 1 464 70 90 LEU C C 177.178 . 1 465 70 90 LEU CA C 55.567 . 1 466 70 90 LEU CB C 41.203 . 1 467 70 90 LEU CD1 C 24.409 . 2 468 70 90 LEU CD2 C 22.960 . 2 469 70 90 LEU CG C 26.512 . 1 470 70 90 LEU N N 118.057 . 1 471 71 91 ALA H H 7.209 . 1 472 71 91 ALA HA H 3.609 . 1 473 71 91 ALA HB H 1.595 . 1 474 71 91 ALA C C 178.565 . 1 475 71 91 ALA CA C 55.340 . 1 476 71 91 ALA CB C 18.956 . 1 477 71 91 ALA N N 122.599 . 1 478 72 92 ASP H H 7.512 . 1 479 72 92 ASP HA H 4.501 . 1 480 72 92 ASP HB2 H 2.650 . 2 481 72 92 ASP HB3 H 2.577 . 2 482 72 92 ASP C C 177.957 . 1 483 72 92 ASP CA C 53.820 . 1 484 72 92 ASP CB C 40.549 . 1 485 72 92 ASP N N 115.913 . 1 486 73 93 LYS H H 6.987 . 1 487 73 93 LYS HA H 4.204 . 1 488 73 93 LYS HB2 H 1.159 . 2 489 73 93 LYS HB3 H 0.492 . 2 490 73 93 LYS HE2 H 2.476 . 2 491 73 93 LYS HZ H 5.216 . 1 492 73 93 LYS C C 176.514 . 1 493 73 93 LYS CA C 52.213 . 1 494 73 93 LYS CB C 30.584 . 1 495 73 93 LYS N N 120.654 . 1 496 74 94 PRO CA C 64.107 . 1 497 74 94 PRO CB C 31.504 . 1 498 74 94 PRO CD C 50.306 . 1 499 74 94 PRO CG C 27.505 . 1 500 75 95 TYR H H 5.853 . 1 501 75 95 TYR HA H 4.531 . 1 502 75 95 TYR HB2 H 3.405 . 2 503 75 95 TYR HB3 H 2.763 . 2 504 75 95 TYR C C 175.986 . 1 505 75 95 TYR CA C 54.506 . 1 506 75 95 TYR CB C 37.104 . 1 507 75 95 TYR N N 112.045 . 1 508 76 96 THR H H 6.835 . 1 509 76 96 THR HA H 4.390 . 1 510 76 96 THR HB H 3.693 . 1 511 76 96 THR HG2 H 0.524 . 1 512 76 96 THR C C 175.231 . 1 513 76 96 THR CA C 59.479 . 1 514 76 96 THR CB C 70.079 . 1 515 76 96 THR CG2 C 23.101 . 1 516 76 96 THR N N 114.552 . 1 517 77 97 PHE H H 8.938 . 1 518 77 97 PHE HA H 4.733 . 1 519 77 97 PHE HB2 H 3.632 . 2 520 77 97 PHE HB3 H 3.222 . 2 521 77 97 PHE C C 175.475 . 1 522 77 97 PHE CA C 56.858 . 1 523 77 97 PHE CB C 40.338 . 1 524 77 97 PHE N N 126.099 . 1 525 78 98 GLU H H 9.256 . 1 526 78 98 GLU HA H 4.141 . 1 527 78 98 GLU HB2 H 1.942 . 2 528 78 98 GLU HG2 H 2.360 . 2 529 78 98 GLU C C 178.186 . 1 530 78 98 GLU CA C 59.195 . 1 531 78 98 GLU CB C 29.755 . 1 532 78 98 GLU CG C 36.198 . 1 533 78 98 GLU N N 122.539 . 1 534 79 99 ASP H H 9.171 . 1 535 79 99 ASP HA H 4.609 . 1 536 79 99 ASP HB2 H 2.894 . 2 537 79 99 ASP HB3 H 2.605 . 2 538 79 99 ASP C C 176.424 . 1 539 79 99 ASP CA C 52.577 . 1 540 79 99 ASP CB C 38.215 . 1 541 79 99 ASP N N 116.124 . 1 542 80 100 TYR H H 7.299 . 1 543 80 100 TYR HA H 4.566 . 1 544 80 100 TYR HB2 H 3.161 . 2 545 80 100 TYR HB3 H 2.892 . 2 546 80 100 TYR C C 174.634 . 1 547 80 100 TYR CA C 58.497 . 1 548 80 100 TYR CB C 40.144 . 1 549 80 100 TYR N N 124.620 . 1 550 81 101 ASP H H 8.776 . 1 551 81 101 ASP HA H 4.745 . 1 552 81 101 ASP HB2 H 2.489 . 2 553 81 101 ASP HB3 H 2.358 . 2 554 81 101 ASP C C 176.205 . 1 555 81 101 ASP CA C 54.535 . 1 556 81 101 ASP CB C 46.015 . 1 557 81 101 ASP N N 130.879 . 1 558 82 102 VAL H H 8.181 . 1 559 82 102 VAL HA H 4.609 . 1 560 82 102 VAL HB H 1.867 . 1 561 82 102 VAL HG1 H 0.811 . 2 562 82 102 VAL HG2 H 0.746 . 2 563 82 102 VAL C C 172.871 . 1 564 82 102 VAL CA C 60.554 . 1 565 82 102 VAL CB C 34.313 . 1 566 82 102 VAL CG1 C 22.935 . 2 567 82 102 VAL CG2 C 21.147 . 2 568 82 102 VAL N N 126.377 . 1 569 83 103 SER H H 8.848 . 1 570 83 103 SER HA H 4.815 . 1 571 83 103 SER HB2 H 3.753 . 2 572 83 103 SER C C 174.644 . 1 573 83 103 SER CA C 56.736 . 1 574 83 103 SER CB C 65.506 . 1 575 83 103 SER N N 123.753 . 1 576 84 104 PHE H H 8.983 . 1 577 84 104 PHE HA H 5.916 . 1 578 84 104 PHE HB2 H 3.030 . 2 579 84 104 PHE HB3 H 2.909 . 2 580 84 104 PHE C C 172.846 . 1 581 84 104 PHE CA C 54.427 . 1 582 84 104 PHE CB C 41.397 . 1 583 84 104 PHE N N 128.725 . 1 584 85 105 GLY H H 8.111 . 1 585 85 105 GLY HA2 H 3.860 . 2 586 85 105 GLY HA3 H 3.731 . 2 587 85 105 GLY C C 174.307 . 1 588 85 105 GLY CA C 45.656 . 1 589 85 105 GLY N N 117.284 . 1 590 86 106 SER CA C 58.420 . 1 591 86 106 SER CB C 61.723 . 1 592 87 107 GLY H H 8.698 . 1 593 87 107 GLY HA2 H 4.028 . 2 594 87 107 GLY HA3 H 3.484 . 2 595 87 107 GLY C C 174.745 . 1 596 87 107 GLY CA C 45.931 . 1 597 87 107 GLY N N 108.487 . 1 598 88 108 VAL H H 7.653 . 1 599 88 108 VAL HA H 4.476 . 1 600 88 108 VAL HB H 2.051 . 1 601 88 108 VAL HG1 H 0.834 . 2 602 88 108 VAL HG2 H 0.774 . 2 603 88 108 VAL C C 172.370 . 1 604 88 108 VAL CA C 62.007 . 1 605 88 108 VAL CB C 34.086 . 1 606 88 108 VAL CG1 C 21.470 . 2 607 88 108 VAL CG2 C 20.799 . 2 608 88 108 VAL N N 120.988 . 1 609 89 109 LEU H H 9.576 . 1 610 89 109 LEU HA H 5.294 . 1 611 89 109 LEU HB2 H 2.068 . 2 612 89 109 LEU HD1 H 0.668 . 2 613 89 109 LEU HG H 1.177 . 1 614 89 109 LEU C C 174.282 . 1 615 89 109 LEU CA C 53.626 . 1 616 89 109 LEU CB C 44.754 . 1 617 89 109 LEU CD1 C 23.415 . 2 618 89 109 LEU CG C 27.431 . 1 619 89 109 LEU N N 135.203 . 1 620 90 110 THR H H 9.202 . 1 621 90 110 THR HA H 5.017 . 1 622 90 110 THR HB H 3.947 . 1 623 90 110 THR HG2 H 0.995 . 1 624 90 110 THR C C 173.435 . 1 625 90 110 THR CA C 61.784 . 1 626 90 110 THR CB C 69.729 . 1 627 90 110 THR CG2 C 21.726 . 1 628 90 110 THR N N 126.399 . 1 629 91 111 VAL H H 9.133 . 1 630 91 111 VAL HA H 4.259 . 1 631 91 111 VAL HB H 1.544 . 1 632 91 111 VAL HG1 H 0.398 . 2 633 91 111 VAL C C 173.747 . 1 634 91 111 VAL CA C 60.857 . 1 635 91 111 VAL CB C 33.997 . 1 636 91 111 VAL CG1 C 20.560 . 2 637 91 111 VAL CG2 C 18.117 . 2 638 91 111 VAL N N 129.973 . 1 639 92 112 LYS H H 8.869 . 1 640 92 112 LYS HA H 4.536 . 1 641 92 112 LYS HB2 H 1.771 . 2 642 92 112 LYS HD2 H 1.612 . 2 643 92 112 LYS HG2 H 1.325 . 2 644 92 112 LYS HG3 H 1.162 . 2 645 92 112 LYS C C 174.088 . 1 646 92 112 LYS CA C 55.165 . 1 647 92 112 LYS CB C 33.125 . 1 648 92 112 LYS CD C 29.981 . 1 649 92 112 LYS CE C 42.333 . 1 650 92 112 LYS CG C 24.848 . 1 651 92 112 LYS N N 132.407 . 1 652 93 113 LEU H H 8.467 . 1 653 93 113 LEU HA H 4.408 . 1 654 93 113 LEU HB2 H 2.232 . 2 655 93 113 LEU HD1 H 1.028 . 2 656 93 113 LEU HD2 H 0.952 . 2 657 93 113 LEU HG H 1.879 . 1 658 93 113 LEU C C 175.012 . 1 659 93 113 LEU CA C 57.035 . 1 660 93 113 LEU CB C 43.716 . 1 661 93 113 LEU CD1 C 23.366 . 2 662 93 113 LEU CG C 26.520 . 1 663 93 113 LEU N N 125.702 . 1 664 94 114 GLY H H 7.534 . 1 665 94 114 GLY HA2 H 4.380 . 2 666 94 114 GLY HA3 H 3.322 . 2 667 94 114 GLY C C 177.373 . 1 668 94 114 GLY CA C 42.798 . 1 669 94 114 GLY N N 105.031 . 1 670 95 115 GLY H H 9.132 . 1 671 95 115 GLY HA2 H 3.516 . 2 672 95 115 GLY HA3 H 3.171 . 2 673 95 115 GLY C C 173.601 . 1 674 95 115 GLY CA C 47.176 . 1 675 95 115 GLY N N 109.435 . 1 676 96 116 ASP CA C 53.742 . 1 677 96 116 ASP CB C 40.321 . 1 678 97 117 LEU H H 8.332 . 1 679 97 117 LEU HA H 4.153 . 1 680 97 117 LEU HB2 H 2.275 . 2 681 97 117 LEU HD1 H 1.156 . 2 682 97 117 LEU HD2 H 1.036 . 2 683 97 117 LEU HG H 1.527 . 1 684 97 117 LEU C C 177.025 . 1 685 97 117 LEU CA C 56.420 . 1 686 97 117 LEU CB C 44.096 . 1 687 97 117 LEU CD1 C 22.670 . 2 688 97 117 LEU CG C 26.984 . 1 689 97 117 LEU N N 122.164 . 1 690 98 118 GLY H H 7.999 . 1 691 98 118 GLY HA2 H 4.070 . 2 692 98 118 GLY HA3 H 3.705 . 2 693 98 118 GLY C C 177.819 . 1 694 98 118 GLY CA C 44.370 . 1 695 98 118 GLY N N 107.284 . 1 696 99 119 THR H H 7.917 . 1 697 99 119 THR HA H 5.314 . 1 698 99 119 THR HB H 3.657 . 1 699 99 119 THR HG2 H 0.869 . 1 700 99 119 THR C C 172.416 . 1 701 99 119 THR CA C 61.161 . 1 702 99 119 THR CB C 72.290 . 1 703 99 119 THR CG2 C 22.488 . 1 704 99 119 THR N N 116.599 . 1 705 100 120 TYR H H 9.297 . 1 706 100 120 TYR HA H 4.952 . 1 707 100 120 TYR HB2 H 2.728 . 2 708 100 120 TYR HB3 H 2.448 . 2 709 100 120 TYR C C 174.321 . 1 710 100 120 TYR CA C 57.693 . 1 711 100 120 TYR CB C 41.973 . 1 712 100 120 TYR N N 127.264 . 1 713 101 121 VAL H H 7.888 . 1 714 101 121 VAL HA H 4.922 . 1 715 101 121 VAL HB H 1.844 . 1 716 101 121 VAL HG1 H 0.857 . 2 717 101 121 VAL C C 175.450 . 1 718 101 121 VAL CA C 61.898 . 1 719 101 121 VAL CB C 34.558 . 1 720 101 121 VAL CG1 C 21.387 . 2 721 101 121 VAL N N 121.213 . 1 722 102 122 ILE H H 9.669 . 1 723 102 122 ILE HA H 5.209 . 1 724 102 122 ILE HB H 1.713 . 1 725 102 122 ILE HD1 H 0.650 . 1 726 102 122 ILE HG12 H 0.947 . 2 727 102 122 ILE C C 175.572 . 1 728 102 122 ILE CA C 60.303 . 1 729 102 122 ILE CB C 40.488 . 1 730 102 122 ILE CD1 C 14.656 . 1 731 102 122 ILE CG1 C 28.159 . 1 732 102 122 ILE CG2 C 19.019 . 1 733 102 122 ILE N N 133.014 . 1 734 103 123 ASN H H 9.581 . 1 735 103 123 ASN HA H 5.790 . 1 736 103 123 ASN HB2 H 2.880 . 2 737 103 123 ASN HB3 H 2.503 . 2 738 103 123 ASN C C 174.174 . 1 739 103 123 ASN CA C 52.282 . 1 740 103 123 ASN CB C 43.410 . 1 741 103 123 ASN N N 123.764 . 1 742 104 124 LYS H H 8.412 . 1 743 104 124 LYS HA H 4.070 . 1 744 104 124 LYS HB2 H 1.887 . 2 745 104 124 LYS HD2 H 1.733 . 2 746 104 124 LYS HG2 H 1.449 . 2 747 104 124 LYS C C 173.795 . 1 748 104 124 LYS CA C 56.997 . 1 749 104 124 LYS CB C 33.579 . 1 750 104 124 LYS CD C 30.113 . 1 751 104 124 LYS CE C 41.017 . 1 752 104 124 LYS CG C 24.798 . 1 753 104 124 LYS N N 123.317 . 1 754 105 125 GLN H H 7.747 . 1 755 105 125 GLN HA H 4.377 . 1 756 105 125 GLN HB2 H 1.515 . 2 757 105 125 GLN HG2 H 1.274 . 2 758 105 125 GLN C C 174.873 . 1 759 105 125 GLN CA C 54.059 . 1 760 105 125 GLN CB C 27.264 . 1 761 105 125 GLN CG C 32.771 . 1 762 105 125 GLN N N 131.468 . 1 763 106 126 THR H H 8.567 . 1 764 106 126 THR HA H 4.171 . 1 765 106 126 THR HB H 3.995 . 1 766 106 126 THR HG2 H 0.922 . 1 767 106 126 THR C C 174.798 . 1 768 106 126 THR CA C 68.396 . 1 769 106 126 THR CB C 66.551 . 1 770 106 126 THR N N 125.482 . 1 771 107 127 PRO CA C 66.136 . 1 772 107 127 PRO CB C 31.024 . 1 773 107 127 PRO CD C 50.538 . 1 774 107 127 PRO CG C 28.151 . 1 775 108 128 ASN H H 6.977 . 1 776 108 128 ASN HA H 4.730 . 1 777 108 128 ASN HB2 H 3.033 . 2 778 108 128 ASN HB3 H 2.222 . 2 779 108 128 ASN C C 176.911 . 1 780 108 128 ASN CA C 53.060 . 1 781 108 128 ASN CB C 40.108 . 1 782 108 128 ASN N N 112.783 . 1 783 109 129 LYS H H 7.879 . 1 784 109 129 LYS HA H 1.950 . 1 785 109 129 LYS HB2 H 1.595 . 2 786 109 129 LYS HD2 H 1.373 . 2 787 109 129 LYS C C 178.406 . 1 788 109 129 LYS CA C 57.413 . 1 789 109 129 LYS CB C 28.863 . 1 790 109 129 LYS CD C 29.641 . 1 791 109 129 LYS CE C 42.110 . 1 792 109 129 LYS CG C 25.129 . 1 793 109 129 LYS N N 119.601 . 1 794 110 130 GLN H H 7.065 . 1 795 110 130 GLN HA H 5.748 . 1 796 110 130 GLN HB2 H 1.935 . 2 797 110 130 GLN HE21 H 7.629 . 2 798 110 130 GLN HG2 H 2.355 . 2 799 110 130 GLN C C 174.380 . 1 800 110 130 GLN CA C 53.929 . 1 801 110 130 GLN CB C 36.886 . 1 802 110 130 GLN CG C 33.880 . 1 803 110 130 GLN N N 113.618 . 1 804 111 131 ILE H H 8.540 . 1 805 111 131 ILE HA H 4.627 . 1 806 111 131 ILE HB H 1.136 . 1 807 111 131 ILE HG12 H 0.469 . 2 808 111 131 ILE C C 178.535 . 1 809 111 131 ILE CA C 61.139 . 1 810 111 131 ILE CB C 39.652 . 1 811 111 131 ILE CG1 C 27.505 . 1 812 111 131 ILE CG2 C 17.512 . 1 813 111 131 ILE N N 125.621 . 1 814 112 132 TRP H H 9.477 . 1 815 112 132 TRP HA H 5.647 . 1 816 112 132 TRP HB2 H 3.365 . 2 817 112 132 TRP HB3 H 3.290 . 2 818 112 132 TRP HE1 H 10.437 . 1 819 112 132 TRP HE3 H 10.437 . 1 820 112 132 TRP HZ2 H 6.785 . 1 821 112 132 TRP C C 174.640 . 1 822 112 132 TRP CA C 55.453 . 1 823 112 132 TRP CB C 30.961 . 1 824 112 132 TRP N N 133.005 . 1 825 112 132 TRP NE1 N 128.976 . 1 826 113 133 LEU H H 8.683 . 1 827 113 133 LEU HA H 5.330 . 1 828 113 133 LEU HB2 H 1.867 . 2 829 113 133 LEU HG H 1.481 . 1 830 113 133 LEU C C 173.236 . 1 831 113 133 LEU CA C 53.552 . 1 832 113 133 LEU CB C 48.095 . 1 833 113 133 LEU CD1 C 27.224 . 2 834 113 133 LEU CG C 27.737 . 1 835 113 133 LEU N N 125.193 . 1 836 114 134 SER H H 9.234 . 1 837 114 134 SER HA H 4.462 . 1 838 114 134 SER HB2 H 3.731 . 2 839 114 134 SER HB3 H 3.638 . 2 840 114 134 SER C C 174.806 . 1 841 114 134 SER CA C 57.066 . 1 842 114 134 SER CB C 63.532 . 1 843 114 134 SER N N 123.119 . 1 844 115 135 SER H H 7.547 . 1 845 115 135 SER HA H 4.803 . 1 846 115 135 SER HB2 H 4.121 . 2 847 115 135 SER HB3 H 3.829 . 2 848 115 135 SER C C 173.298 . 1 849 115 135 SER CA C 51.752 . 1 850 115 135 SER CB C 63.267 . 1 851 115 135 SER N N 122.842 . 1 852 116 136 PRO CA C 63.652 . 1 853 116 136 PRO CB C 31.852 . 1 854 116 136 PRO CD C 48.832 . 1 855 116 136 PRO CG C 26.354 . 1 856 117 137 SER H H 7.807 . 1 857 117 137 SER HA H 4.578 . 1 858 117 137 SER HB2 H 3.689 . 2 859 117 137 SER HB3 H 3.628 . 2 860 117 137 SER C C 176.080 . 1 861 117 137 SER CA C 58.781 . 1 862 117 137 SER CB C 64.294 . 1 863 117 137 SER N N 114.901 . 1 864 118 138 SER H H 8.195 . 1 865 118 138 SER HA H 4.164 . 1 866 118 138 SER C C 175.856 . 1 867 118 138 SER CA C 57.779 . 1 868 118 138 SER CB C 64.047 . 1 869 118 138 SER N N 116.148 . 1 870 119 139 GLY H H 7.906 . 1 871 119 139 GLY HA2 H 4.164 . 2 872 119 139 GLY HA3 H 3.886 . 2 873 119 139 GLY C C 175.469 . 1 874 119 139 GLY CA C 45.541 . 1 875 119 139 GLY N N 114.900 . 1 876 120 140 PRO CA C 62.385 . 1 877 120 140 PRO CB C 32.498 . 1 878 120 140 PRO CD C 50.000 . 1 879 120 140 PRO CG C 26.967 . 1 880 121 141 LYS H H 9.053 . 1 881 121 141 LYS HA H 3.943 . 1 882 121 141 LYS HB2 H 1.351 . 2 883 121 141 LYS HD2 H 1.020 . 2 884 121 141 LYS HG2 H 0.619 . 2 885 121 141 LYS C C 178.180 . 1 886 121 141 LYS CA C 55.759 . 1 887 121 141 LYS CB C 38.917 . 1 888 121 141 LYS CD C 28.979 . 1 889 121 141 LYS CE C 42.491 . 1 890 121 141 LYS CG C 25.775 . 1 891 121 141 LYS N N 123.957 . 1 892 122 142 ARG H H 6.337 . 1 893 122 142 ARG HA H 4.676 . 1 894 122 142 ARG HB2 H 1.630 . 2 895 122 142 ARG HB3 H 1.388 . 2 896 122 142 ARG C C 174.477 . 1 897 122 142 ARG CA C 55.510 . 1 898 122 142 ARG CB C 32.470 . 1 899 122 142 ARG CD C 43.385 . 1 900 122 142 ARG CG C 25.543 . 1 901 122 142 ARG N N 121.498 . 1 902 123 143 TYR H H 9.559 . 1 903 123 143 TYR HA H 4.619 . 1 904 123 143 TYR HB2 H 3.385 . 2 905 123 143 TYR HB3 H 3.063 . 2 906 123 143 TYR C C 174.622 . 1 907 123 143 TYR CA C 59.771 . 1 908 123 143 TYR CB C 41.016 . 1 909 123 143 TYR N N 123.661 . 1 910 124 144 ASP H H 8.866 . 1 911 124 144 ASP HA H 5.657 . 1 912 124 144 ASP HB2 H 2.868 . 2 913 124 144 ASP HB3 H 2.679 . 2 914 124 144 ASP C C 175.308 . 1 915 124 144 ASP CA C 53.829 . 1 916 124 144 ASP CB C 45.314 . 1 917 124 144 ASP N N 123.609 . 1 918 125 145 TRP H H 9.317 . 1 919 125 145 TRP HA H 4.681 . 1 920 125 145 TRP HB2 H 2.939 . 2 921 125 145 TRP HB3 H 2.533 . 2 922 125 145 TRP HE1 H 10.158 . 1 923 125 145 TRP HE3 H 10.158 . 1 924 125 145 TRP HZ2 H 6.896 . 1 925 125 145 TRP C C 175.669 . 1 926 125 145 TRP CA C 56.086 . 1 927 125 145 TRP CB C 30.064 . 1 928 125 145 TRP N N 124.557 . 1 929 125 145 TRP NE1 N 129.970 . 1 930 126 146 THR H H 8.243 . 1 931 126 146 THR HA H 4.245 . 1 932 126 146 THR HB H 3.947 . 1 933 126 146 THR HG2 H 1.281 . 1 934 126 146 THR C C 178.398 . 1 935 126 146 THR CA C 61.148 . 1 936 126 146 THR CB C 71.963 . 1 937 126 146 THR N N 118.152 . 1 938 128 148 LYS H H 6.677 . 1 939 128 148 LYS C C 172.992 . 1 940 128 148 LYS CA C 56.031 . 1 941 128 148 LYS CB C 35.686 . 1 942 128 148 LYS CD C 29.327 . 1 943 128 148 LYS CE C 41.977 . 1 944 128 148 LYS CG C 23.622 . 1 945 128 148 LYS N N 116.790 . 1 946 129 149 ASN H H 6.585 . 1 947 129 149 ASN HA H 4.509 . 1 948 129 149 ASN HB2 H 2.792 . 2 949 129 149 ASN C C 172.627 . 1 950 129 149 ASN CA C 51.599 . 1 951 129 149 ASN CB C 36.413 . 1 952 129 149 ASN N N 118.359 . 1 953 130 150 TRP H H 8.887 . 1 954 130 150 TRP HA H 5.757 . 1 955 130 150 TRP HB2 H 3.383 . 2 956 130 150 TRP HB3 H 3.178 . 2 957 130 150 TRP HE1 H 9.931 . 1 958 130 150 TRP HE3 H 9.931 . 1 959 130 150 TRP HZ2 H 7.586 . 1 960 130 150 TRP C C 170.802 . 1 961 130 150 TRP CA C 54.991 . 1 962 130 150 TRP CB C 30.094 . 1 963 130 150 TRP N N 121.432 . 1 964 130 150 TRP NE1 N 131.622 . 1 965 131 151 VAL H H 9.536 . 1 966 131 151 VAL HA H 4.862 . 1 967 131 151 VAL HB H 1.715 . 1 968 131 151 VAL HG1 H 0.765 . 2 969 131 151 VAL HG2 H 0.707 . 2 970 131 151 VAL C C 176.619 . 1 971 131 151 VAL CA C 61.710 . 1 972 131 151 VAL CB C 37.040 . 1 973 131 151 VAL CG1 C 22.687 . 2 974 131 151 VAL CG2 C 21.743 . 2 975 131 151 VAL N N 124.007 . 1 976 132 152 TYR H H 7.912 . 1 977 132 152 TYR HA H 5.169 . 1 978 132 152 TYR HB2 H 3.629 . 2 979 132 152 TYR HB3 H 2.508 . 2 980 132 152 TYR C C 174.971 . 1 981 132 152 TYR CA C 54.201 . 1 982 132 152 TYR CB C 37.054 . 1 983 132 152 TYR N N 132.992 . 1 984 133 153 SER H H 9.415 . 1 985 133 153 SER HA H 3.924 . 1 986 133 153 SER HB2 H 3.792 . 2 987 133 153 SER C C 176.236 . 1 988 133 153 SER CA C 61.579 . 1 989 133 153 SER CB C 62.581 . 1 990 133 153 SER N N 129.058 . 1 991 134 154 HIS H H 5.883 . 1 992 134 154 HIS HA H 4.019 . 1 993 134 154 HIS HB2 H 3.596 . 2 994 134 154 HIS C C 175.490 . 1 995 134 154 HIS CA C 58.507 . 1 996 134 154 HIS CB C 30.597 . 1 997 134 154 HIS N N 118.551 . 1 998 135 155 ASP H H 6.723 . 1 999 135 155 ASP HA H 4.656 . 1 1000 135 155 ASP HB2 H 3.009 . 2 1001 135 155 ASP HB3 H 2.411 . 2 1002 135 155 ASP C C 175.256 . 1 1003 135 155 ASP CA C 53.052 . 1 1004 135 155 ASP CB C 42.706 . 1 1005 135 155 ASP N N 114.992 . 1 1006 136 156 GLY H H 8.640 . 1 1007 136 156 GLY HA2 H 4.049 . 2 1008 136 156 GLY HA3 H 3.533 . 2 1009 136 156 GLY C C 177.470 . 1 1010 136 156 GLY CA C 46.317 . 1 1011 136 156 GLY N N 111.910 . 1 1012 137 157 VAL H H 8.692 . 1 1013 137 157 VAL HA H 4.071 . 1 1014 137 157 VAL HB H 2.418 . 1 1015 137 157 VAL HG1 H 1.232 . 2 1016 137 157 VAL HG2 H 0.870 . 2 1017 137 157 VAL C C 174.145 . 1 1018 137 157 VAL CA C 63.714 . 1 1019 137 157 VAL CB C 32.053 . 1 1020 137 157 VAL CG1 C 21.842 . 2 1021 137 157 VAL N N 126.802 . 1 1022 138 158 SER H H 9.225 . 1 1023 138 158 SER HA H 5.553 . 1 1024 138 158 SER C C 178.079 . 1 1025 138 158 SER CA C 57.817 . 1 1026 138 158 SER CB C 65.945 . 1 1027 138 158 SER N N 129.837 . 1 1028 139 159 LEU H H 8.267 . 1 1029 139 159 LEU HA H 3.958 . 1 1030 139 159 LEU HB2 H 1.388 . 2 1031 139 159 LEU HD1 H 1.141 . 2 1032 139 159 LEU HG H 1.253 . 1 1033 139 159 LEU C C 174.258 . 1 1034 139 159 LEU CA C 58.006 . 1 1035 139 159 LEU CB C 42.446 . 1 1036 139 159 LEU CD1 C 23.879 . 2 1037 139 159 LEU CG C 25.767 . 1 1038 139 159 LEU N N 125.716 . 1 1039 140 160 HIS H H 7.574 . 1 1040 140 160 HIS HA H 3.604 . 1 1041 140 160 HIS HB2 H 2.820 . 2 1042 140 160 HIS C C 176.789 . 1 1043 140 160 HIS CA C 62.077 . 1 1044 140 160 HIS CB C 30.625 . 1 1045 140 160 HIS N N 117.265 . 1 1046 141 161 GLU H H 8.235 . 1 1047 141 161 GLU HA H 3.965 . 1 1048 141 161 GLU HB2 H 2.413 . 2 1049 141 161 GLU HB3 H 2.276 . 2 1050 141 161 GLU HG2 H 2.002 . 2 1051 141 161 GLU C C 178.760 . 1 1052 141 161 GLU CA C 59.542 . 1 1053 141 161 GLU CB C 30.193 . 1 1054 141 161 GLU CG C 37.208 . 1 1055 141 161 GLU N N 124.790 . 1 1056 142 162 LEU H H 8.466 . 1 1057 142 162 LEU HA H 4.181 . 1 1058 142 162 LEU HB2 H 2.134 . 2 1059 142 162 LEU HB3 H 1.886 . 2 1060 142 162 LEU HD1 H 1.043 . 2 1061 142 162 LEU HD2 H 0.948 . 2 1062 142 162 LEU C C 179.368 . 1 1063 142 162 LEU CA C 58.392 . 1 1064 142 162 LEU CB C 40.409 . 1 1065 142 162 LEU CD1 C 24.856 . 2 1066 142 162 LEU CG C 27.480 . 1 1067 142 162 LEU N N 126.180 . 1 1068 143 163 LEU H H 8.113 . 1 1069 143 163 LEU HA H 3.772 . 1 1070 143 163 LEU HB2 H 1.672 . 2 1071 143 163 LEU HD1 H 0.960 . 2 1072 143 163 LEU HG H 1.392 . 1 1073 143 163 LEU C C 179.758 . 1 1074 143 163 LEU CA C 57.949 . 1 1075 143 163 LEU CB C 42.905 . 1 1076 143 163 LEU CD1 C 22.985 . 2 1077 143 163 LEU CG C 26.288 . 1 1078 143 163 LEU N N 119.366 . 1 1079 144 164 ALA H H 7.925 . 1 1080 144 164 ALA HA H 3.679 . 1 1081 144 164 ALA HB H 1.562 . 1 1082 144 164 ALA C C 178.492 . 1 1083 144 164 ALA CA C 56.071 . 1 1084 144 164 ALA CB C 19.027 . 1 1085 144 164 ALA N N 121.653 . 1 1086 145 165 ALA H H 7.932 . 1 1087 145 165 ALA HA H 4.055 . 1 1088 145 165 ALA HB H 1.707 . 1 1089 145 165 ALA C C 180.189 . 1 1090 145 165 ALA CA C 55.400 . 1 1091 145 165 ALA CB C 18.390 . 1 1092 145 165 ALA N N 123.643 . 1 1093 146 166 GLU H H 8.875 . 1 1094 146 166 GLU HA H 4.043 . 1 1095 146 166 GLU HB2 H 2.017 . 2 1096 146 166 GLU C C 181.583 . 1 1097 146 166 GLU CA C 60.291 . 1 1098 146 166 GLU CB C 29.864 . 1 1099 146 166 GLU CG C 36.836 . 1 1100 146 166 GLU N N 119.064 . 1 1101 147 167 LEU H H 9.238 . 1 1102 147 167 LEU HA H 4.462 . 1 1103 147 167 LEU HD1 H 0.256 . 2 1104 147 167 LEU HD2 H 0.184 . 2 1105 147 167 LEU HG H 1.348 . 1 1106 147 167 LEU C C 181.072 . 1 1107 147 167 LEU CA C 58.093 . 1 1108 147 167 LEU CB C 42.200 . 1 1109 147 167 LEU CD1 C 22.968 . 2 1110 147 167 LEU CG C 26.843 . 1 1111 147 167 LEU N N 122.460 . 1 1112 148 168 THR H H 7.900 . 1 1113 148 168 THR HA H 4.330 . 1 1114 148 168 THR HG2 H 1.108 . 1 1115 148 168 THR C C 173.422 . 1 1116 148 168 THR CA C 65.755 . 1 1117 148 168 THR CB C 69.574 . 1 1118 148 168 THR CG2 C 21.031 . 1 1119 148 168 THR N N 119.762 . 1 1120 149 169 LYS H H 7.034 . 1 1121 149 169 LYS HA H 4.025 . 1 1122 149 169 LYS HB2 H 1.872 . 2 1123 149 169 LYS HD2 H 1.691 . 2 1124 149 169 LYS HE2 H 2.464 . 2 1125 149 169 LYS HG2 H 1.502 . 2 1126 149 169 LYS HG3 H 1.418 . 2 1127 149 169 LYS HZ H 5.438 . 1 1128 149 169 LYS C C 177.470 . 1 1129 149 169 LYS CA C 59.040 . 1 1130 149 169 LYS CB C 32.924 . 1 1131 149 169 LYS CD C 29.368 . 1 1132 149 169 LYS CE C 42.010 . 1 1133 149 169 LYS CG C 25.104 . 1 1134 149 169 LYS N N 121.623 . 1 1135 150 170 ALA H H 8.223 . 1 1136 150 170 ALA HA H 4.170 . 1 1137 150 170 ALA HB H 1.581 . 1 1138 150 170 ALA C C 178.434 . 1 1139 150 170 ALA CA C 55.146 . 1 1140 150 170 ALA CB C 19.323 . 1 1141 150 170 ALA N N 122.178 . 1 1142 151 171 LEU H H 8.644 . 1 1143 151 171 LEU HA H 4.340 . 1 1144 151 171 LEU HB2 H 1.741 . 2 1145 151 171 LEU HD1 H 0.879 . 2 1146 151 171 LEU HD2 H 0.775 . 2 1147 151 171 LEU HG H 1.474 . 1 1148 151 171 LEU C C 178.825 . 1 1149 151 171 LEU CA C 54.464 . 1 1150 151 171 LEU CB C 40.844 . 1 1151 151 171 LEU CD1 C 25.924 . 2 1152 151 171 LEU CD2 C 22.604 . 2 1153 151 171 LEU CG C 27.522 . 1 1154 151 171 LEU N N 114.381 . 1 1155 152 172 LYS H H 7.447 . 1 1156 152 172 LYS HA H 3.846 . 1 1157 152 172 LYS HB2 H 2.014 . 2 1158 152 172 LYS HB3 H 1.876 . 2 1159 152 172 LYS HD2 H 1.675 . 2 1160 152 172 LYS HG2 H 1.313 . 2 1161 152 172 LYS C C 176.667 . 1 1162 152 172 LYS CA C 57.171 . 1 1163 152 172 LYS CB C 28.890 . 1 1164 152 172 LYS CD C 29.484 . 1 1165 152 172 LYS CE C 42.424 . 1 1166 152 172 LYS CG C 25.104 . 1 1167 152 172 LYS N N 117.673 . 1 1168 153 173 THR H H 7.334 . 1 1169 153 173 THR HA H 4.164 . 1 1170 153 173 THR HB H 3.140 . 1 1171 153 173 THR HG1 H 5.271 . 1 1172 153 173 THR C C 174.674 . 1 1173 153 173 THR CA C 60.841 . 1 1174 153 173 THR CB C 71.136 . 1 1175 153 173 THR CG2 C 17.719 . 1 1176 153 173 THR N N 115.782 . 1 1177 154 174 LYS H H 7.924 . 1 1178 154 174 LYS HA H 4.077 . 1 1179 154 174 LYS HB2 H 1.677 . 2 1180 154 174 LYS HB3 H 1.611 . 2 1181 154 174 LYS HD2 H 1.474 . 2 1182 154 174 LYS HE2 H 2.719 . 2 1183 154 174 LYS HE3 H 2.613 . 2 1184 154 174 LYS HG2 H 1.297 . 2 1185 154 174 LYS HG3 H 1.188 . 2 1186 154 174 LYS C C 170.778 . 1 1187 154 174 LYS CA C 57.595 . 1 1188 154 174 LYS CB C 31.945 . 1 1189 154 174 LYS CD C 29.169 . 1 1190 154 174 LYS CE C 42.093 . 1 1191 154 174 LYS CG C 24.864 . 1 1192 154 174 LYS N N 125.863 . 1 1193 155 175 LEU H H 8.052 . 1 1194 155 175 LEU HA H 4.613 . 1 1195 155 175 LEU HB2 H 1.477 . 2 1196 155 175 LEU HB3 H 1.187 . 2 1197 155 175 LEU C C 175.940 . 1 1198 155 175 LEU CA C 53.893 . 1 1199 155 175 LEU CB C 45.481 . 1 1200 155 175 LEU CD1 C 23.896 . 2 1201 155 175 LEU CG C 27.240 . 1 1202 155 175 LEU N N 132.538 . 1 1203 156 176 ASP H H 8.267 . 1 1204 156 176 ASP HA H 4.556 . 1 1205 156 176 ASP HB2 H 2.688 . 2 1206 156 176 ASP HB3 H 2.407 . 2 1207 156 176 ASP C C 174.673 . 1 1208 156 176 ASP CA C 53.716 . 1 1209 156 176 ASP CB C 43.522 . 1 1210 156 176 ASP N N 121.343 . 1 1211 157 177 LEU H H 8.070 . 1 1212 157 177 LEU HA H 4.167 . 1 1213 157 177 LEU HB2 H 2.017 . 2 1214 157 177 LEU HD1 H 1.149 . 2 1215 157 177 LEU HG H 1.499 . 1 1216 157 177 LEU C C 175.308 . 1 1217 157 177 LEU CD1 C 27.224 . 2 1218 157 177 LEU CD2 C 24.724 . 2 1219 157 177 LEU CG C 30.328 . 1 1220 157 177 LEU N N 130.885 . 1 1221 158 178 SER H H 8.310 . 1 1222 158 178 SER HA H 3.862 . 1 1223 158 178 SER C C 176.712 . 1 1224 158 178 SER CA C 62.155 . 1 1225 158 178 SER CB C 63.238 . 1 1226 158 178 SER N N 116.613 . 1 1227 159 179 SER H H 8.243 . 1 1228 159 179 SER HA H 4.287 . 1 1229 159 179 SER C C 176.112 . 1 1230 159 179 SER CA C 58.968 . 1 1231 159 179 SER CB C 63.078 . 1 1232 159 179 SER N N 117.940 . 1 1233 160 180 LEU H H 6.979 . 1 1234 160 180 LEU HA H 4.032 . 1 1235 160 180 LEU HB2 H 1.991 . 2 1236 160 180 LEU HB3 H 1.539 . 2 1237 160 180 LEU C C 173.868 . 1 1238 160 180 LEU CA C 54.897 . 1 1239 160 180 LEU CB C 40.669 . 1 1240 160 180 LEU CD1 C 25.361 . 2 1241 160 180 LEU CD2 C 22.827 . 2 1242 160 180 LEU CG C 27.944 . 1 1243 160 180 LEU N N 123.979 . 1 1244 161 181 ALA H H 7.933 . 1 1245 161 181 ALA HA H 4.166 . 1 1246 161 181 ALA HB H 1.586 . 1 1247 161 181 ALA C C 176.393 . 1 1248 161 181 ALA CA C 53.205 . 1 1249 161 181 ALA CB C 19.290 . 1 1250 161 181 ALA N N 124.044 . 1 1251 162 182 TYR H H 8.395 . 1 1252 162 182 TYR HA H 4.088 . 1 1253 162 182 TYR HB2 H 3.551 . 2 1254 162 182 TYR C C 177.998 . 1 1255 162 182 TYR CA C 60.083 . 1 1256 162 182 TYR CB C 34.455 . 1 1257 162 182 TYR N N 115.502 . 1 1258 163 183 SER H H 7.479 . 1 1259 163 183 SER HA H 3.390 . 1 1260 163 183 SER C C 175.117 . 1 1261 163 183 SER CA C 59.218 . 1 1262 163 183 SER CB C 63.251 . 1 1263 163 183 SER N N 113.024 . 1 1264 164 184 GLY H H 8.868 . 1 1265 164 184 GLY HA2 H 4.057 . 2 1266 164 184 GLY HA3 H 3.432 . 2 1267 164 184 GLY C C 177.640 . 1 1268 164 184 GLY CA C 45.547 . 1 1269 164 184 GLY N N 114.132 . 1 1270 165 185 LYS H H 7.970 . 1 1271 165 185 LYS HA H 4.230 . 1 1272 165 185 LYS HB2 H 1.742 . 2 1273 165 185 LYS HD2 H 1.604 . 2 1274 165 185 LYS HD3 H 1.527 . 2 1275 165 185 LYS HE2 H 3.070 . 2 1276 165 185 LYS HE3 H 2.725 . 2 1277 165 185 LYS HG2 H 1.325 . 2 1278 165 185 LYS HG3 H 1.241 . 2 1279 165 185 LYS C C 176.034 . 1 1280 165 185 LYS CA C 56.023 . 1 1281 165 185 LYS CB C 32.911 . 1 1282 165 185 LYS CD C 28.772 . 1 1283 165 185 LYS CE C 42.085 . 1 1284 165 185 LYS CG C 24.326 . 1 1285 165 185 LYS N N 124.300 . 1 1286 166 186 ASP H H 8.578 . 1 1287 166 186 ASP HA H 4.456 . 1 1288 166 186 ASP HB2 H 2.672 . 2 1289 166 186 ASP HB3 H 2.461 . 2 1290 166 186 ASP C C 175.761 . 1 1291 166 186 ASP CA C 54.495 . 1 1292 166 186 ASP CB C 40.873 . 1 1293 166 186 ASP N N 124.865 . 1 1294 167 187 ALA H H 7.689 . 1 1295 167 187 ALA HA H 4.017 . 1 1296 167 187 ALA HB H 1.212 . 1 1297 167 187 ALA C C 174.606 . 1 1298 167 187 ALA CA C 53.765 . 1 1299 167 187 ALA CB C 20.542 . 1 1300 167 187 ALA N N 131.373 . 1 stop_ save_